smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 725899949 VPDHRMRRTNZNLH-NSHDSACASA-N 427.888 -0.191 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732952181 LSTLIFCNIKESMI-ZDUSSCGKSA-N 427.439 -0.580 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 740851687 QZOAUAYDPCBRKG-QGZVFWFLSA-N 429.477 -0.086 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 744388881 YNCZVLZWYFTXAR-GFCCVEGCSA-N 430.552 -0.385 50 20 IBGD CS(=O)(=O)CC1(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 747067688 RFTFSLAOTMANNY-AWEZNQCLSA-N 426.447 -0.268 50 20 IBGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)nnn1-c1ccc2c(c1)OCCO2 763815525 WSPFQWLVFPATDP-UHFFFAOYSA-N 437.416 -0.067 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cncc(-c3ccccc3)c2)n(C)c1=O 765730336 JRCIATIBSAEFDO-UHFFFAOYSA-N 433.428 -0.043 50 20 IBGD CC[C@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)N(C)C 766637169 ZJJNDLGJJZPGMQ-QGZVFWFLSA-N 425.555 -0.211 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(O[C@@H]3CCOC3)cc2)n(C)c1=O 788761977 OTNWELPHSZHOEK-CQSZACIVSA-N 442.432 -0.937 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 797368527 CMAKQRZHKXJMSO-UHFFFAOYSA-N 439.428 -0.015 50 20 IBGD CC(=O)c1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 806571923 QPTDQAHIOJWPJN-UHFFFAOYSA-N 431.384 -0.372 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 815472566 DSHFQSRELSBNIZ-ZENOOKHLSA-N 443.412 -0.532 50 20 IBGD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919884661 JOAATNAZUALOBD-DGCLKSJQSA-N 432.524 -0.106 50 20 IBGD COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934677 KHKLXZURAXXJRP-HXUWFJFHSA-N 436.513 -0.654 50 20 IBGD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)no1 1788611747 YGFYGTXLTCAWCJ-RCBQFDQVSA-N 443.464 -0.787 50 20 IBGD COC1(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CCC1 1791849073 VAPLTYMRNHCPIX-WDSOQIARSA-N 430.310 -0.081 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccnn3c1)C2)c1ccc(B(O)O)cc1 1795736281 VQJMNMCZCINZDH-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2)c1ccc(B(O)O)cc1 1795736715 GUSKKUYFLHMWIQ-YHELAOLJSA-N 438.289 -0.827 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365445 OYTXYRVFUZFDKQ-SZMVWBNQSA-N 431.685 -0.319 50 20 IBGD C[C@H](CN)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302117 FWTBHZCOZFSYND-SIIHOXLZSA-N 425.493 -0.006 50 20 IBGD CNCCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801136 RAGKQASWZZMCLA-UHFFFAOYSA-N 430.358 -0.449 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835999246 GGIMNKRFIFZDLU-BEFAXECRSA-N 427.885 -0.442 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cnnn3C)CC2)CC1 1837232098 OHQDZCIROJYXQB-UHFFFAOYSA-N 435.529 -0.200 50 20 IBGD N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838905995 KQQCEYKCHSLIKS-QHCPKHFHSA-N 449.272 -0.378 50 20 IBGD Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185947 XBPOYWXPJYLGCB-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 729274835 FIVXVMIILGFGBR-ZDUSSCGKSA-N 446.551 -0.050 50 20 IBGD C[C@@]1(NNC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCS(=O)(=O)C1 729615022 SEGNDMYMDWEXRD-GOSISDBHSA-N 425.559 -0.240 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCN(C)C3=O)nc2)CC1 748665490 XRXIHBHLLQFDGV-CQSZACIVSA-N 425.515 -0.735 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)sc2c1CCC2 764003072 XNUORFTZLQYSAT-SECBINFHSA-N 443.503 -0.066 50 20 IBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 767403532 OHRAHNNROKFZIE-CQSZACIVSA-N 438.506 -0.273 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 771928444 MNOIONSUDJDBJP-NSHDSACASA-N 429.451 -0.385 50 20 IBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781958599 RDYQPZDHWAVOEO-OCCSQVGLSA-N 432.886 -0.463 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115546 FBIZKXFIXAKQJA-KZULUSFZSA-N 426.470 -0.273 50 20 IBGD Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c1 790686018 OTSBUOCDNIQOER-IBGZPJMESA-N 432.389 -0.180 50 20 IBGD Cc1nccn1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781554230 MABASMYVJYIQLB-DENIHFKCSA-N 440.309 -0.301 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783533137 QZBGTUTVANKOHB-SJKOYZFVSA-N 425.088 -0.407 50 20 IBGD CC(C)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786956495 GBYYQWVMETZONX-WBAXXEDZSA-N 432.525 -0.334 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980098 IXFADIUUNYAADS-WDSOQIARSA-N 445.325 -0.878 50 20 IBGD O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787435405 RCDZTWXVZVMMJD-QEJZJMRPSA-N 440.208 -0.930 50 20 IBGD Cc1n[nH]cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609973 IATLWZMTLRCZIB-ZLIFDBKOSA-N 427.465 -0.376 50 20 IBGD CN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793006224 QVFOXMCZECUWQE-DACLVMHWSA-N 430.509 -0.627 50 20 IBGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1794949859 XHKOHIQWIMWWPW-DPIQGUFMSA-N 441.448 -0.999 50 20 IBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1798122552 QDSQAVUPPULSKB-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]1(F)Cl 1801089880 PHEYGIRFYNTALQ-AOQHKNEPSA-N 425.848 -0.187 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806767498 XNTGAQBWCFNUMH-VQIMIIECSA-N 445.306 -0.874 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363811 OCEUHOZAAZAPCW-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1813070187 DTIFXZUVRITQAY-FTRWYGJKSA-N 447.540 -0.947 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813070402 GTOPGAPTBLRFAU-YRNRMSPPSA-N 430.509 -0.261 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814404803 RKCGJOLUEXGRCU-TVQRCGJNSA-N 443.489 -0.354 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730598 BPRJRWXSJAZRPW-UGSOOPFHSA-N 449.838 -0.087 50 20 IBGD COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831627900 GHUUIGARXGHTRD-JLTOFOAXSA-N 435.481 -0.962 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1835941763 OUKVJUIVTZYHLB-OAQYLSRUSA-N 448.350 -0.420 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840153546 SDWWXEUUQYWFFB-DNVCBOLYSA-N 440.884 -0.270 50 20 IBGD CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840183911 HRKPYAYLZQTXCK-HXUWFJFHSA-N 427.546 -0.796 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551216 QMXQKRMOWYDMLM-IUODEOHRSA-N 441.344 -0.339 50 20 IBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012051 YVIMHWJRTBAKNT-UNOMPAQXSA-N 437.261 -0.046 50 20 IBGD COC(=O)C12CC(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)(C1)C2 1844265281 NKRBWACRLRNVOV-UHFFFAOYSA-N 427.461 -0.155 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=S)NCC3CCC3)c2)CCN1 727866121 PSSXWTOAJRSOGJ-UHFFFAOYSA-N 425.536 -0.284 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(c2ncccn2)CC1 728983826 RSVVBMKETGSERF-QGZVFWFLSA-N 445.524 -0.979 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cnc2n(C)c1=O 743831483 XTZGAICETPSTMP-UHFFFAOYSA-N 446.445 -0.498 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C)cc1 758042811 BBKNXNRUVCFFKI-JSGCOSHPSA-N 434.540 -0.617 50 20 IBGD O=C(c1cnc2nc(O)nc(O)c2c1)N1CCN(S(=O)(=O)CBr)CC1 758536375 UPUNBPJWLNRFPI-UHFFFAOYSA-N 432.256 -0.124 50 20 IBGD CCO[C@H](C)c1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765726796 GHSWPPJCBBUELZ-SECBINFHSA-N 435.466 -0.551 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)cc1Br 779844889 LPKMITSMWOCAQI-UHFFFAOYSA-N 428.192 -0.048 50 20 IBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 783676594 YGEAJOQEEPILGH-UHFFFAOYSA-N 441.488 -0.142 50 20 IBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CN2CCCC2=O)cc1 920433556 VMQUKISHWQAZRY-BSDKJSHOSA-N 427.461 -0.441 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382686 PLACCWOWQVIABB-BFUOFWGJSA-N 439.900 -0.286 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780771505 JAWYWZFCCXPIHK-QQHRNGFRSA-N 437.310 -0.216 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784474456 JDNOUHXLLMZFTM-UXCUABDYSA-N 442.480 -0.197 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccccn4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979671 JRXQQRTXFUGRJY-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1Cc2ccccc2N1 1790682126 QZEHFKOWTSPDRQ-UDDWMFPDSA-N 449.316 -0.004 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1791057386 UMECZZSSPLBVIV-HTFCKZLJSA-N 431.287 -0.652 50 20 IBGD Cc1nscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794518211 XSDSLYTZMYGMTL-DRXBFXEBSA-N 430.490 -0.033 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C3CCOCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797886 IBJJHFHQUQJYJD-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839215513 WOMXGVLDAKXYTC-RBOXIYTFSA-N 436.278 -0.246 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839516382 OMICLMYOINLMPJ-KSSFIOAISA-N 428.873 -0.665 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840595665 FQBWIPSBNSQMGI-HXUWFJFHSA-N 426.514 -0.879 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843012660 BQMAYPUIEGGYBF-UHFFFAOYSA-N 442.302 -0.099 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 16236903 BWDYSPOSXYEQMC-CYBMUJFWSA-N 442.453 -0.125 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCCCC(=O)O)c(F)c1 728509944 CHTUSEYWBVXVMM-SECBINFHSA-N 441.459 -0.684 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)N1CCOCC1 749852100 VJDXKQPMMYQBIT-UHFFFAOYSA-N 427.302 -0.138 50 20 IBGD COCCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755690593 FWYQYBDSXYEHBQ-UHFFFAOYSA-N 445.436 -0.688 50 20 IBGD CN(CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 765395584 AHKBXISUUOJJRD-AWEZNQCLSA-N 446.551 -0.731 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN2CCCC2=O)cc1OCC 798373275 ZQXDPTXHWGIEPR-UHFFFAOYSA-N 442.494 -0.468 50 20 IBGD C[C@](O)(C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 804178097 CYXNDVXSRUZGAW-LJQANCHMSA-N 425.507 -0.052 50 20 IBGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 806973190 DAHMRGHOPZVSCP-KRWDZBQOSA-N 442.428 -0.011 50 20 IBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)CC2 810593089 SLNFZOOKVOINFY-MRXNPFEDSA-N 425.493 -0.475 50 20 IBGD O=C1Cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc2N1 1778389768 KYLZCHCOMBSBFI-QHCPKHFHSA-N 449.272 -0.382 50 20 IBGD COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)CC1 1781814113 NJEHDXJVDKPHJW-FOIQADDNSA-N 438.525 -0.174 50 20 IBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783932878 IHLCARPOGJUIFY-IRLDBZIGSA-N 448.520 -0.069 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787018177 NEFLBPMVUZDZGH-ULQDDVLXSA-N 433.509 -0.799 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788955506 FPICXZDWJKZERE-OCCUQACQSA-N 443.464 -0.157 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1791289266 QZQXWWVWEOTMHX-MZRZTIOWSA-N 432.525 -0.566 50 20 IBGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1795240126 NXXPRFQCCMBNQJ-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCC3)C2)c1cccc(B(O)O)c1 1795738724 CUQPUHGLROEMSS-XEMDLRDOSA-N 436.273 -0.182 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nn1C 1797751846 UXKXAWNAVXFUPL-IVWMJMPLSA-N 441.492 -0.502 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368170 ZNTLBHIZPWNUDI-LXGCGDOSSA-N 438.293 -0.394 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@H]1c1cccnc1 1808945925 HHRUABPSDVBXTJ-DNVCBOLYSA-N 449.475 -0.309 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1817024456 ODTOAWGKFSMLLE-GHMZBOCLSA-N 439.542 -0.125 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830724963 KLTYYFZYVPLIAI-BEFAXECRSA-N 440.884 -0.290 50 20 IBGD O=C(CN(CCO)CCO)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1836535792 JCJDUBSLXPWMHC-UHFFFAOYSA-N 439.384 -0.352 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837098252 YUKVYOZUCYBRPZ-OAQYLSRUSA-N 448.524 -0.728 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837201055 DWRHRDAXSAEMJH-SCLBCKFNSA-N 435.905 -0.228 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837604777 OUEXTCCPIBXUGR-OXQOHEQNSA-N 428.530 -0.371 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1837711944 XOLHQWKDSSYQHO-GOSISDBHSA-N 427.578 -0.866 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838910563 RZGCZQUTXHEEHJ-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839146815 XJBZSIAPRZAIHZ-XIKOKIGWSA-N 425.873 -0.337 50 20 IBGD CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840183014 NTDRDNRPNRGLMT-OAQYLSRUSA-N 439.557 -0.842 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840620204 JEFLETAYPHZBAL-IBGZPJMESA-N 435.456 -0.353 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825241 IAHLNVDLFXBWPK-UHFFFAOYSA-N 434.453 -0.667 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2CCCS2(=O)=O)c1 726277156 XFEJLVZNUXQWIS-UHFFFAOYSA-N 447.539 -0.694 50 20 IBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 726766071 QKNXPWDYEKRQCD-UHFFFAOYSA-N 442.475 -0.441 50 20 IBGD COc1ccccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 731493089 PEBLHNOGWYCAMM-UHFFFAOYSA-N 432.458 -0.110 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)c1 740749209 QOQFKIHKGBNAEV-UHFFFAOYSA-N 446.533 -0.085 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1nnc(O)c2ccccc12 742034424 IJCCQDPZGXWNCW-SNVBAGLBSA-N 447.477 -0.186 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 749582598 LGMNRGYIDNYDBM-OLZOCXBDSA-N 438.462 -0.463 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)c1=O 763570440 FDIDAUIYQONGEV-INIZCTEOSA-N 438.400 -0.503 50 20 IBGD CO[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCOC1 764806011 ZKQXPZHFFAZBGK-SFHVURJKSA-N 442.494 -0.543 50 20 IBGD COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c[nH]1 767851695 STEZOOBCNTZHHD-UHFFFAOYSA-N 430.302 -0.210 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCc1ccccc1O 771013158 QVGCRPSLQBARHZ-GFCCVEGCSA-N 434.474 -0.062 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 779847083 SWSRIUAJLYLSII-UHFFFAOYSA-N 426.448 -0.359 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCOc3c2cc(F)cc3[N+](=O)[O-])n(C)c1=O 783854903 AMBSXBVRVBDXKR-UHFFFAOYSA-N 445.367 -0.216 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 863997245 XVRDMDQMLBIBES-AWEZNQCLSA-N 436.490 -0.005 50 20 IBGD Cc1sc2ncn(CCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c2c1C 919888551 FVWJQIMRRXTPOT-NSHDSACASA-N 427.508 -0.018 50 20 IBGD Cn1nc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c2ccccc2c1=O 933190137 JAAQFLDNVKTBPY-MRXNPFEDSA-N 433.428 -0.185 50 20 IBGD COc1cc(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC 1319661695 AUPVWHUUIHQJQF-LLVKDONJSA-N 430.483 -0.062 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783532476 OKTYCZIXQUGVSH-DIFFPNOSSA-N 440.298 -0.147 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783932880 IHLCARPOGJUIFY-UNMCSNQZSA-N 448.520 -0.069 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981815 MKJBJKBBKUBGLI-VDGAXYAQSA-N 440.309 -0.458 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2nc[nH]c2c1 1797409853 DRBCYAHWSCMKAY-CWPLJXCYSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1nc[nH]n1)C2 1798443492 BKCYJLHBUMQXRQ-ZSBIGDGJSA-N 430.494 -0.153 50 20 IBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1798936716 CPXYCFBQOKWEJV-RMFSNUHRSA-N 437.305 -0.051 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1830535821 UAUOJNDZHRUBOZ-BLLLJJGKSA-N 430.303 -0.084 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1832549449 PQDIDJSAFZEBSJ-UGSOOPFHSA-N 434.921 -0.466 50 20 IBGD COCCCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833241327 YOVNJBKDPXPHHD-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834480823 SWLHJYCFIMJMOW-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD O=C(c1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930797 ZYAITYVKRHGSLL-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837596012 ZJKBBTURZVVZAR-KKSFZXQISA-N 434.298 -0.750 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839718494 XYNZCAXDJWLEHK-PBHICJAKSA-N 446.819 -0.253 50 20 IBGD Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 14347798 LIBASBIULXKGEA-UHFFFAOYSA-N 449.489 -0.450 50 20 IBGD COc1ccc(S(=O)(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 728178145 UQJCRGMRUKCNEZ-GFCCVEGCSA-N 435.524 -0.526 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732244897 MBEOIUKJRJDSBZ-GFCCVEGCSA-N 447.539 -0.703 50 20 IBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 739410292 RYFJKMMLDJBUIL-CYBMUJFWSA-N 432.524 -0.515 50 20 IBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc(NS(C)(=O)=O)c1OC 742611656 CNIGEZVZSQISKC-UHFFFAOYSA-N 440.434 -0.141 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 751210888 KBHWJHSJNJULAB-UHFFFAOYSA-N 431.386 -0.170 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 756495441 RESDHXQIANWGMG-DGCLKSJQSA-N 448.523 -0.270 50 20 IBGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)n1 763745642 HFFRCKVJBVPPFJ-UHFFFAOYSA-N 448.505 -0.534 50 20 IBGD COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NNC(=O)CN(C)C)c(OC)c1 764210259 AAVCPPQALMVFLQ-UHFFFAOYSA-N 434.453 -0.395 50 20 IBGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)cn1C 767095814 FLBTWCKCPCCUPF-UHFFFAOYSA-N 445.505 -0.632 50 20 IBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)O 790392686 VWPKOHGFRNMKOZ-SSDOTTSWSA-N 441.871 -0.274 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc[nH]n1)c(=O)n2Cc1ccccc1 918017481 YXYNDRMBNQRCNF-UHFFFAOYSA-N 436.432 -0.388 50 20 IBGD C=CCNC(=S)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1115816267 QCJVRSMBIREOBN-ZDUSSCGKSA-N 434.565 -0.551 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1779028128 FBQXUEKQKRKBKU-FQEVSTJZSA-N 427.465 -0.516 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1782214752 YYCPGELYBOHCCH-OXQOHEQNSA-N 435.529 -0.445 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nn1C 1786984145 MTADPOPNFBWFBS-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790850630 HHNHJGUEINIKSM-DZYDDEDGSA-N 432.481 -0.634 50 20 IBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)c(=O)nc1O 1795116859 AVWBLGOYAJNNMB-JJLQDPRZSA-N 443.298 -0.368 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800644316 PHZMJTDJJOUFRK-FQLMCAECSA-N 436.347 -0.964 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361027 DTKLOKGPERCXQT-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1830358457 NVGIQLRCLLMCFK-SFHVURJKSA-N 430.889 -0.740 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831498161 JZCROZBJVRRMBZ-MJGOQNOKSA-N 430.571 -0.230 50 20 IBGD COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831623789 FDMPFLFWMFXULU-JOFFPFSTSA-N 449.508 -0.141 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1835934277 SGHNVNMSWMUIBG-VGOFRKELSA-N 428.294 -0.207 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837413169 QLCLWGNGRPRBMS-UTKZUKDTSA-N 445.476 -0.552 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839963604 QDQCLFNMHLEWFB-MAUKXSAKSA-N 448.358 -0.052 50 20 IBGD CSCC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 15639477 NWAHVVSHAQGCHH-SMDDNHRTSA-N 439.515 -0.014 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCSc2nnnn2C)cc1 108420531 FJBSEHYULOQOCZ-UHFFFAOYSA-N 427.512 -0.531 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 731845314 XKEDIXFWCLERPM-ZIAGYGMSSA-N 430.552 -0.190 50 20 IBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 742028945 PEXNGXAUDDUCAA-UHFFFAOYSA-N 436.475 -0.096 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3coc(C(N)=O)c3)CC2)cc1 759953664 AFHPHQLULKWUSM-UHFFFAOYSA-N 449.489 -0.546 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(Cl)c2[N+](=O)[O-])n(C)c1=O 766640213 SIPUVFDHWBKYNO-UHFFFAOYSA-N 435.784 -0.544 50 20 IBGD O=C(CSc1nnnn1C1CC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766641572 HHLHHKBHJGZVDQ-UHFFFAOYSA-N 444.521 -0.295 50 20 IBGD COCCCOCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 775781033 YALFFBWNMLRKDH-UHFFFAOYSA-N 442.538 -0.498 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3c2OCC3(C)C)n(C)c1=O 788763515 WZZAVOBXXFFXRQ-UHFFFAOYSA-N 426.433 -0.435 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 807004526 PBCNYOOIHXKEBR-UHFFFAOYSA-N 446.395 -0.146 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1779030812 IKAZALDBOGPFGV-OAQYLSRUSA-N 439.476 -0.449 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780256350 UISKEBUAIIDARA-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1783933420 YGKSIWNAKAUJNA-LJQANCHMSA-N 427.571 -0.762 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786741148 NQBDZROBQCCDGR-DVBSWERSSA-N 432.481 -0.812 50 20 IBGD CCn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc1C 1788997623 NAJIIEUXNSGBSQ-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCOCC1)C2 1798439119 DXTAORKIMDKRAB-MUJYYYPQSA-N 430.509 -0.341 50 20 IBGD COC(=O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439575 JRUJWCNBRPSWJW-CLLJXQQHSA-N 435.506 -0.157 50 20 IBGD Cn1cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)ccc2n1 1799912006 JHOBIQJQIAZJMM-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccccc3n1)C2 1801011455 NVJIBNJKUCTQEP-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD O=C(Cn1ccncc1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973409 KOKDFXQTOGGZCT-UHFFFAOYSA-N 438.293 -0.532 50 20 IBGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1827060072 OQSDVEJELBUZPB-DNVCBOLYSA-N 440.313 -0.153 50 20 IBGD CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1833358855 YPKLCNDKSGGOMA-QFBILLFUSA-N 426.901 -0.183 50 20 IBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cs1 1834458783 DHCADCOPTWFRCA-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342162 MGBLUZLXVJWZAV-MNQDVBFDSA-N 442.476 -0.119 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457161 YMMHDMUMCMCZCO-QVKFZJNVSA-N 447.492 -0.654 50 20 IBGD N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838906112 RDNDZTLZRQIREC-HSZRJFAPSA-N 449.272 -0.378 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839963362 INOOWTVSMMVXAK-OGHNNQOOSA-N 432.315 -0.105 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1840149826 AWAKWVMUCGQVKA-UGSOOPFHSA-N 428.873 -0.191 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1840153448 OQWDCZPJGFIPER-ZRGWGRIASA-N 441.916 -0.013 50 20 IBGD C[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744362067 KYSATVAZUHWGQS-NSAPBPOKSA-N 435.458 -0.598 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 744686298 QFWCWZMKFFIWMF-LSDHHAIUSA-N 437.474 -0.665 50 20 IBGD COc1ccc2c(c1)OC[C@@H]2CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 760407068 YAYOSIFTGVKDOX-NSHDSACASA-N 442.432 -0.844 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1=O 766639041 LHFJXVNHKFTXHD-CYBMUJFWSA-N 447.496 -0.992 50 20 IBGD COC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCO1 789332512 PUWQXMWWJPUCKB-HZPDHXFCSA-N 442.542 -0.162 50 20 IBGD C[C@@]1(CCCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)NC(=O)NC1=O 801432599 QKKMHWDCPNBJNX-YJYMSZOUSA-N 434.405 -0.715 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 819727455 GADQZYVXVWVVJM-ZFWWWQNUSA-N 431.511 -0.041 50 20 IBGD CCc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030447 ANAMQGBZNKSTLD-HXUWFJFHSA-N 428.449 -0.007 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779031874 GQHPVTLHFWJVLZ-OOYDSBACSA-N 440.460 -0.159 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1779032237 HKALOOYSXAUYOO-HXUWFJFHSA-N 426.433 -0.924 50 20 IBGD CC(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n[nH]1 1780293668 CKBHZJFJLBKTJM-OAQYLSRUSA-N 426.282 -0.030 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)cc21 1784092456 LSFJNVULVIAQIM-APYUEPQZSA-N 439.900 -0.790 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cn1)C2)c1ccc(B(O)O)cc1 1795734759 OWENVUCRDBORQM-YVWYUNDQSA-N 427.241 -0.654 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189204 JZEHCHGNJQTRAH-BCDXTJNWSA-N 449.338 -0.956 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796277821 QVUHHHTXVXOJCD-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CCC(N)=O)[C@@H]1c1cccnc1 1812632422 ZBMNFLSRAQFFIU-LIRRHRJNSA-N 439.476 -0.335 50 20 IBGD CN1CC(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)C1 1813606131 GJWNBMVTXRCNTC-DNVCBOLYSA-N 437.504 -0.039 50 20 IBGD Cc1noc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354450 BTUGWZIWXMONRJ-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD O=C(Cn1cncn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054760 JIZBUTBSKGYFIL-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727846 IDBYGMNOVFKNJH-CRAIPNDOSA-N 430.889 -0.801 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310336 QRKXBQZRJYZGFO-GOEBONIOSA-N 434.921 -0.778 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833495874 DUTPEESNEKVFTM-KZULUSFZSA-N 442.856 -0.501 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cs1 1834454468 HCVKWKUCGGJKBG-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836221771 WMBFKPUQRVZTEH-RCQWNHEVSA-N 447.492 -0.244 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)[nH]1 1837457026 VVZOYIINVVETMD-HXUWFJFHSA-N 443.464 -0.900 50 20 IBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)N1CCN(C)CC1 1845098859 MHOOMESNTRSDHY-HNNXBMFYSA-N 429.525 -0.862 50 20 IBGD O=C(Cn1ccc2ccccc21)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 729450521 ZBSDOHQQVDKLKN-CQSZACIVSA-N 431.474 -0.046 50 20 IBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732958869 NSAKUYQSKUJYBT-AWEZNQCLSA-N 427.439 -0.179 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 740851204 UNLBNNAXUAXOKG-UHFFFAOYSA-N 444.485 -0.088 50 20 IBGD CC1(C)OCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CO1 758724358 POUQBKYCGXUCLU-UHFFFAOYSA-N 442.494 -0.197 50 20 IBGD Cn1cnn(CC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1=O 770548725 GRNVPTUHZGVNKC-UHFFFAOYSA-N 436.475 -0.095 50 20 IBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cn1C 808086525 BEOHVTIPZFKCCV-UHFFFAOYSA-N 442.475 -0.428 50 20 IBGD O=C(COC(=O)c1cn(C2CCOCC2)nn1)NNC(=O)[C@H]1COc2ccccc2O1 811302492 ZEKQHHCHUAANKM-MRXNPFEDSA-N 431.405 -0.226 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=S)Nc3ccccn3)cc2)CCN1 1348983969 CCLHGYYDVGNBNI-UHFFFAOYSA-N 434.503 -0.167 50 20 IBGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031292 QMYQPSUNFWMXLS-OAQYLSRUSA-N 443.508 -0.590 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1779293875 FQETWHQPJFOCPA-SFHVURJKSA-N 447.630 -0.602 50 20 IBGD CN(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cn1 1779760650 MPCATRLCTNYDJJ-JOCHJYFZSA-N 438.293 -0.415 50 20 IBGD COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1784261139 YAYWKELYOQZSJN-MEGCXXLRSA-N 434.453 -0.694 50 20 IBGD Cc1noc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979391 CUNYBKZADMFCLK-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984477 KNXKEBWTQNCQQV-JBACZVJFSA-N 437.305 -0.094 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(O)nc(O)c1 1787291261 RXPIVGZZOHYULN-JQFCIGGWSA-N 441.249 -0.920 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788510423 IXALCELRXJUVNX-RXWYWUIXSA-N 441.337 -0.700 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1S 1792500420 GSWFDCZOJNZFIO-XOIINTDNSA-N 427.291 -0.433 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798355275 WBSSOTDWZNILPY-YFKTTZPYSA-N 440.298 -0.190 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807944568 QSDZYYFBOROKGU-CORIIIEPSA-N 446.855 -0.873 50 20 IBGD CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830724684 APEOGMSIMSIKLA-ACJLOTCBSA-N 430.889 -0.208 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831464132 JUFCDCHUDZKSSN-GRDNDAEWSA-N 440.946 -0.623 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249763 BNCZCDULABLEPW-WFASDCNBSA-N 441.344 -0.482 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1)C(=O)O 1835763852 NWUADQDTLOSEJT-HWWQOWPSSA-N 436.303 -0.711 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1835935699 MPJVNJHRSIRTHA-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937464 YDFSMAGBSZCQPN-ZWDAVXSWSA-N 430.310 -0.127 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277458 KTBRMIXJUPJFQI-SJCJKPOMSA-N 430.893 -0.970 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1837455686 DLCLJMVWRXFFNV-JKSBSHDWSA-N 443.504 -0.199 50 20 IBGD CN1CC(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1837922116 NAGANUFUCUNJHG-UHFFFAOYSA-N 429.326 -0.460 50 20 IBGD O=C([C@@H]1CC[C@@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014388 FPLSHYDSPDSPTR-SJLPKXTDSA-N 425.294 -0.416 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1844309224 KLKXYMNVHAXUEN-UHFFFAOYSA-N 441.448 -0.771 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742676152 HNMSEZAZCJEFMJ-AAXDQBDMSA-N 425.442 -0.996 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)cnc2n(C)c1=O 746943111 RBSXTEYPJVTHEK-UHFFFAOYSA-N 436.384 -0.878 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)CCCO3)n(C)c1=O 756300550 ZAHZEMNDIUKNHP-UHFFFAOYSA-N 427.421 -0.388 50 20 IBGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)C(=O)Nc1ccccn1 758801383 XJFOAESFJGLKOV-OAHLLOKOSA-N 426.481 -0.044 50 20 IBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)CNC(=O)c1cccnc1 763823438 GOANBFRXTXFNFM-UHFFFAOYSA-N 439.881 -0.019 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 764228511 XPEZHBFGNZLSCX-QWHCGFSZSA-N 442.494 -0.342 50 20 IBGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2=O)cc1 784002905 MIKQXXAYEQOBLN-UHFFFAOYSA-N 425.445 -0.087 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786998988 LYAVOIXUXZIUHM-JKSUJKDBSA-N 426.514 -0.175 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1 816817767 JXUFEFXSNWFBTL-LLVKDONJSA-N 438.462 -0.131 50 20 IBGD N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccn1 1786871254 GLZYVVBTJGHIGA-LWCVALJOSA-N 438.293 -0.945 50 20 IBGD Cc1cnn([C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1791592307 AXJRFENHGWFAFN-UHMOLFJZSA-N 440.309 -0.274 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2)[C@@H](F)Br 1799346596 DJFRFSWGIHWGER-KZZRWZIVSA-N 427.292 -0.156 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359596 BFFNXJYPBBXUQE-JXFKEZNVSA-N 447.260 -0.522 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375882 WFIZPZYPYBPBPU-BVJIBDCISA-N 435.289 -0.027 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnn1 1812396814 ZIFMQNDIJZKUEM-MOXGXCLJSA-N 448.292 -0.066 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1)c1ccc(B(O)O)cc1 1817471194 FWOLMVUEIIXMQC-GOSISDBHSA-N 441.297 -0.272 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1)c1cccc(B(O)O)c1 1817473841 CCFWSAQCZOQNFW-MRXNPFEDSA-N 441.253 -0.152 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)O1 1824572217 GOKLDKKOARUVKE-ROUUACIJSA-N 429.282 -0.292 50 20 IBGD O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728598 VVHPADUPFXPTCK-BEFAXECRSA-N 426.901 -0.042 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)O1 1836604884 YKSOWGWPUKWZGG-FPDPHYFHSA-N 432.282 -0.996 50 20 IBGD Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838680986 SWSAYQOGBSLBTK-HXUWFJFHSA-N 443.464 -0.900 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839964191 JSSUGSNWJLMHBT-SWLSCSKDSA-N 431.291 -0.697 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840156831 VLDCGSCDKGUUTL-IFXJQAMLSA-N 427.885 -0.082 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)o1 1840506692 OYPNEODTHBJGAZ-JOCHJYFZSA-N 442.277 -0.419 50 20 IBGD O=C([C@H]1CC[C@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012013 UZLREBBUCARAER-WMZOPIPTSA-N 425.294 -0.416 50 20 IBGD O=C(COC(=O)Cn1ncc2ccccc2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 728327422 KNNWAMWPBWNEDZ-QGZVFWFLSA-N 438.396 -0.073 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)c2ccccc2c1=O 733126988 WJCCQTLOSNZFRR-UHFFFAOYSA-N 442.432 -0.232 50 20 IBGD Cc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)nc2c1c(=O)n(C)c(=O)n2C 738505219 IPLRBZSXVKPKTF-UHFFFAOYSA-N 449.427 -0.093 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 758031635 XFBAQAKSRBVCAD-LLVKDONJSA-N 435.510 -0.738 50 20 IBGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1)NC1CC1 763570553 FPJFEQFZFKTMOB-OAHLLOKOSA-N 428.405 -0.912 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cn1 770451499 IGNZVXDWVNIKST-UHFFFAOYSA-N 431.430 -0.178 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1[C@@H](C)C1CC1 777420677 WVUSCCVRYVZZQT-NSHDSACASA-N 428.453 -0.629 50 20 IBGD COCCCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 780699828 WAWJHWOOAAWOEC-OAHLLOKOSA-N 428.467 -0.119 50 20 IBGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1Cl 793446737 IJXWMPGHZLFPGW-VIFPVBQESA-N 429.842 -0.033 50 20 IBGD CS(=O)(=O)C1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCOCC1 796399195 QDEJWRWUWOXQPQ-AWEZNQCLSA-N 442.446 -0.889 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 810458176 UJQRVSHPPQEUEU-HNNXBMFYSA-N 446.551 -0.423 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 814194132 ACWYIPULTDZHBC-AWEZNQCLSA-N 434.478 -0.677 50 20 IBGD CC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779028509 MMCZUINFRRFVGK-FQEVSTJZSA-N 441.448 -0.632 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779915829 OJBBHPFZXYRSDL-VMHRPQTGSA-N 441.448 -0.240 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781661630 MRPGQDCOICVOKW-NRFANRHFSA-N 428.225 -0.032 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)n1 1784091123 KCTMNCTVNVMLKO-JONQDZQNSA-N 440.928 -0.134 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccn4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979768 PGGQDOSJJCQVLI-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n(C)n1 1786980890 CQFPOEMGDGIMAY-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(N)s3)C[C@@H]21 1788610602 KJTMPQIPHNGBIV-BPNCWPANSA-N 445.505 -0.369 50 20 IBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978294 PHHTWNABLPYHOT-QKGCVVFFSA-N 449.932 -0.285 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2)c1ccc(B(O)O)cc1 1795736927 OOYLYHCAXZCZFX-XEMDLRDOSA-N 442.252 -0.485 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccncc1)C2)c1cccc(B(O)O)c1 1795737245 JTZKBMZVOJIERX-CWPLJXCYSA-N 441.318 -0.243 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2)c1cccc(B(O)O)c1 1795740910 OTJQTNDSQBGWPS-FAQVEIGNSA-N 448.288 -0.381 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797973451 IXKKHGJSUMGVBR-DFYYWFRZSA-N 438.293 -0.535 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800757621 HIBGCTWDGQOHBR-DYNIEEOBSA-N 440.298 -0.387 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375675 PGFJVDQCMVPWHU-VQIMIIECSA-N 447.260 -0.110 50 20 IBGD CN(C)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299847 UPSCDQQKVHHGOS-HNAYVOBHSA-N 425.493 -0.039 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1810310609 YAROWVODKUEGFD-SUMWQHHRSA-N 440.464 -0.932 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1813028035 IWTVLRHUATWZMQ-AYDFFVQHSA-N 437.884 -0.061 50 20 IBGD COc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830724676 YOFQMDDTLPGRPA-SCLBCKFNSA-N 431.848 -0.101 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797935 NLEFHPQUGNKANC-KKSFZXQISA-N 444.385 -0.075 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cn[nH]c3)CC2)CC1 1835170997 YHVQHHBRSORJAG-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929409 OMPYDYPTJWFTNM-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839146355 XOXPKOXKPPCWNO-BEFAXECRSA-N 439.900 -0.228 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1ccnn1 1839202771 PBPJLMASOKFGQV-JMSVASOKSA-N 434.266 -0.014 50 20 IBGD O=C(CCn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203859 YUTHGVOXJRRTJM-DZGCQCFKSA-N 434.266 -0.185 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1842188891 UJKQAVAOIMXLFX-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD Cc1cc2nnc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c(C)n2n1 1843011381 XRCAVXRWEXZYOE-UHFFFAOYSA-N 434.265 -0.448 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730456892 FTHOBZSQVHNNMB-CVEARBPZSA-N 443.547 -0.190 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccccc2OC)c1 746094779 RTZGIPOTPHULKY-UHFFFAOYSA-N 426.451 -0.212 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 756844394 NHKIQRIRLXGXTL-UHFFFAOYSA-N 438.466 -0.484 50 20 IBGD Cn1cc(C#N)c(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 756872403 SZJNFMGSJWIGHG-UHFFFAOYSA-N 433.450 -0.221 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1=O 763471102 CRULIRHQVGCIHU-UHFFFAOYSA-N 425.361 -0.121 50 20 IBGD COc1ccnc(NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)n1 773724883 ZULUTSHMBCGABH-UHFFFAOYSA-N 437.482 -0.117 50 20 IBGD CNS(=O)(=O)c1cccc2c1CCN(C(=O)NNC(=O)CNC(=O)c1ccco1)C2 790691595 KPCLZELEPYJITQ-UHFFFAOYSA-N 435.462 -0.283 50 20 IBGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)COCc1ccccc1 812889566 UIHGJFASOURWKP-OAHLLOKOSA-N 426.495 -0.431 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@H]2CCc3nncn3C2)[C@@H](C)O)cc1 816874236 YIZBNVITRAWMAG-WWGRRREGSA-N 436.494 -0.976 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1S(=O)(=O)NC1CC1 816886098 PLOVPEKTXSMZKP-LBPRGKRZSA-N 434.478 -0.249 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)n(C)c2n(C)c1=O 920605132 MMXDFUGXGNIGFI-UHFFFAOYSA-N 447.835 -0.153 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccc(Br)cc2)nn1 1320140007 QGKRGPQTMJMRJR-MRVPVSSYSA-N 431.272 -0.272 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 1322036646 ABVSZCUHNPGULG-UHFFFAOYSA-N 446.555 -0.775 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1783880084 FURXSWHFUCXFBO-LXIYXOSZSA-N 435.905 -0.087 50 20 IBGD O=C([C@@H](O)CCl)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784912392 LUCNCXWYEZLSLN-XKNYDFJKSA-N 434.770 -0.079 50 20 IBGD Cn1cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610524 DEGLNFIQGOJOQF-OWQGQXMQSA-N 426.477 -0.069 50 20 IBGD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1788893120 AXPBPKKMHKBVNH-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794529590 ZDONNBNISPXKPY-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ccncc12 1796214579 YYSWHCXXSNGWSX-IVWMJMPLSA-N 429.481 -0.466 50 20 IBGD C[C@H](CN)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807015048 JSTGGNRVBUQGBH-XUWXXGDYSA-N 425.493 -0.006 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809979968 HUULQYAKHKTHKH-UHFFFAOYSA-N 439.277 -0.864 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)N1 1817087193 VFKCQBOICXEKBT-ZBFHGGJFSA-N 425.254 -0.326 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736217 RVUUKEMDYFQYJV-KDOFPFPSSA-N 428.873 -0.829 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831125282 LPZYHLKPWGZMAB-NRFANRHFSA-N 447.492 -0.630 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840036176 HHESHAZTQNQMGS-SUMWQHHRSA-N 449.346 -0.401 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)CC1 728213687 GPEXBUYAQGVNRM-INIZCTEOSA-N 445.567 -0.510 50 20 IBGD O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)NNC(=O)[C@@H]1COCCO1 745637437 AHXYJRWNOUQKTJ-ZBFHGGJFSA-N 442.494 -0.610 50 20 IBGD O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 747349301 CUCJIHVQUMTXOD-INIZCTEOSA-N 438.506 -0.477 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 749400390 IQPSQGCRDYDRJK-LBPRGKRZSA-N 425.467 -0.066 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 758029048 ITIRFWFRLHEDBJ-GFCCVEGCSA-N 448.567 -0.262 50 20 IBGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)c2)CC1 763979930 OEGXZXKTNFVTPH-UHFFFAOYSA-N 448.505 -0.259 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)nc21 770974075 IXFJMYOLLHTKNO-HNNXBMFYSA-N 436.432 -0.012 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nnnn2CC2CC2)cc1 771380625 URHAHXFMMTYJRV-UHFFFAOYSA-N 436.498 -0.457 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978464 CJVZDUCBTHQCRI-GDBMZVCRSA-N 437.456 -0.193 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 863998748 AVJGAHGICNUGNT-GFCCVEGCSA-N 438.462 -0.613 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779417792 NXPSOXJMWNMPBD-MJSCVDMRSA-N 448.358 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1782210165 ICGXLMCLBKKGLK-FOIQADDNSA-N 439.513 -0.675 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788637836 FKTHXNABJKNHHF-UVPYHEFZSA-N 434.873 -0.939 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H](F)Br 1789922598 MNSVCTVIGSUNAU-CYUUQNCZSA-N 443.078 -0.350 50 20 IBGD CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789955074 DODPDXXUAMIFQA-XIVBQZFQSA-N 431.298 -0.239 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1cncn1 1791611701 ZPMZUDZGGFGHQD-OQUILHJVSA-N 442.480 -0.869 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978039 AIKMIOUCDATSRP-NDKCEZKHSA-N 435.905 -0.939 50 20 IBGD CC(C)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)C 1795714156 IFLLOMFAFYCBBF-HNJRGHQBSA-N 431.342 -0.408 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736832 KDJUBQHTXPOXCO-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1SC(=N)NC1=O 1796191092 YLSPOXKCMCCYKA-URXAQBOPSA-N 444.322 -0.579 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1)c1cccc(B(O)O)c1 1796887448 DSKSNYMEAYRJNB-BCDXTJNWSA-N 449.338 -0.956 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1797748414 XADALGHBRGHGLD-CZAMWMTLSA-N 429.433 -0.785 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)no1 1798508536 ZPQIKOCTXFCVHM-BJWYYQGGSA-N 440.265 -0.655 50 20 IBGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799072337 JVSUFNMUTYFUFE-QVHKTLOISA-N 442.925 -0.919 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374341 HCTHIAXESCXYGL-MAUKXSAKSA-N 435.249 -0.177 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1)[C@@H](F)Br 1836412339 FMPMPVDXROAGTO-CQSZACIVSA-N 432.298 -0.065 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716774 PXROQUULRJXGTA-AWEZNQCLSA-N 441.849 -0.691 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839696886 WRNXMNWWYAKMJJ-IKVWTGGYSA-N 444.318 -0.689 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840152160 ZNDAOHYIUMKTOG-DNVCBOLYSA-N 430.933 -0.022 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840152965 ZWJUTHMLSCFWTN-ABAIWWIYSA-N 428.816 -0.193 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185339 OOOHUBMKZCIPLS-DYVFJYSZSA-N 449.346 -0.401 50 20 IBGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 727603842 GRYFQIQMAJXPHR-UHFFFAOYSA-N 430.465 -0.169 50 20 IBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)CN(C)C 733361343 ZGDUQIGMVPXJGQ-QGZVFWFLSA-N 428.511 -0.140 50 20 IBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 755237172 BDHUQGFJLCRMBV-CYBMUJFWSA-N 445.498 -0.877 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 756784558 NVZMPMRBBVWKBU-GFCCVEGCSA-N 430.508 -0.038 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c2ccccc2O1 785066463 BAFDLCGYLWBYBD-MRXNPFEDSA-N 436.428 -0.436 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@](C)(O)Cn2c(C)cccc2=O)cc1OC 795775002 RIAWBLRCHNHPCY-OAQYLSRUSA-N 447.444 -0.071 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)CC1 803935236 AGIKUYABFPZHME-UHFFFAOYSA-N 426.495 -0.596 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817054873 BVIYNPQKEAMLEC-NSHDSACASA-N 430.512 -0.520 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181696 MKGQRQJJEGCNDD-IQUTYRLHSA-N 439.900 -0.321 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1779766632 UCEULTPYVLFKOS-OAQYLSRUSA-N 432.525 -0.036 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1783935331 SLXYWOBAWCCUMS-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1783937406 KAVRJVQKLGVVAI-QVKFZJNVSA-N 432.525 -0.283 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785153508 UXQHTKZATAVQQP-NDCWEZFPSA-N 435.250 -0.745 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786978196 RLBRBRUAQYKVCJ-QXEWZRGKSA-N 429.264 -0.185 50 20 IBGD O=C(CCc1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787023238 CJZLDTIHPYXRSK-VDGAXYAQSA-N 425.294 -0.079 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(Cl)cnc1O 1792389112 GREQQLWEIOKGKF-FVCICTRLSA-N 445.668 -0.363 50 20 IBGD CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N(CC)CC 1795732745 FYRBHFKJUPUWNO-HNJRGHQBSA-N 431.342 -0.310 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccn13)C2)c1cccc(B(O)O)c1 1795739229 UDBGXXIOWVVLFV-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD Cc1cc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)no1 1795740298 PJUQLVIFHWJOSC-HMAWRFLHSA-N 425.250 -0.421 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1797793409 MZGLTQHPAIMZJU-RNJOBUHISA-N 425.265 -0.126 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800640079 UIRRRYIBIBTSPE-OCVGTWLNSA-N 439.115 -0.257 50 20 IBGD Cn1nc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cc1O 1807360542 CEFMPAGQFQBHAM-OXQOHEQNSA-N 449.276 -0.166 50 20 IBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@H]2c2cccnc2)c(=O)nc1O 1814035410 MGWLBRJDPVPMHY-UXLLHSPISA-N 449.895 -0.042 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2c1CCC2 1830727857 IJCNQTQVGBCZHR-KXBFYZLASA-N 426.901 -0.422 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833554516 HKUBVEJWTUDSIO-IBGZPJMESA-N 449.656 -0.608 50 20 IBGD O=C1CCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835411821 NVKUBBHGKNCVHV-HOCLYGCPSA-N 436.278 -0.244 50 20 IBGD O=C(CCc1ccoc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939663 DAZCQDHGBSPRIU-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nc3ccc(F)cn3n2)C1 1845729083 ISRDZWAUADWNLA-UHFFFAOYSA-N 438.423 -0.002 50 20 IBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745440337 GPAMCOLHSVXTGZ-XPJRSKKXSA-N 440.412 -0.587 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C(N)=O)o3)CC2)cc1 747418961 NQSIFGYXRYWIOP-UHFFFAOYSA-N 449.489 -0.546 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)C(=O)N1CCCC1 749850010 JWBQQQZWNWBIRR-UHFFFAOYSA-N 439.313 -0.441 50 20 IBGD CN(c1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O)S(C)(=O)=O 764276718 AWMKMDATWNAIKT-UHFFFAOYSA-N 436.446 -0.047 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc[n+]([O-])c3)CC2)cc1 766636205 MVSLYPGMBDFUOA-UHFFFAOYSA-N 433.490 -0.604 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 771846795 MEVVGZIMVLDXQB-PKFCDNJMSA-N 435.886 -0.143 50 20 IBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 815779458 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C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830731557 MCEBCXKUZBXYMY-PMUMKWKESA-N 427.889 -0.667 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1)[C@H](O)CCl 1833312755 BNLTVTDGRVIYFI-OAHLLOKOSA-N 426.901 -0.917 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)ncn3)CC2)CC1 1833555651 CODITXXWLCKMMO-UHFFFAOYSA-N 447.540 -0.260 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565358 UPWGFHZVOCODTR-MHRHTVJOSA-N 449.508 -0.472 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840156183 OSMRWUINVOZGND-KBXCAEBGSA-N 428.873 -0.434 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1840184728 CJLQXQCJVIIDMD-MORSLUCNSA-N 434.896 -0.260 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16146014 FVAZRFGJFYUWQT-OAHLLOKOSA-N 443.547 -0.014 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 16232897 NAXUODYAJRHDAM-UHFFFAOYSA-N 428.449 -0.333 50 20 IBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 733848035 JXHBYDKNWVFNDP-UHFFFAOYSA-N 437.478 -0.436 50 20 IBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cnc21 734824801 JCRFJAUKEMBURK-UHFFFAOYSA-N 448.484 -0.140 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 740853222 YUCWNXKFTSTPJF-UHFFFAOYSA-N 441.510 -0.282 50 20 IBGD O=C(CNC(=O)OCC(F)(F)F)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636662 QXUHMRBAQJCAIN-UHFFFAOYSA-N 445.398 -0.120 50 20 IBGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783999591 QEJWQXJNRSMNRO-UHFFFAOYSA-N 442.432 -0.324 50 20 IBGD Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(=O)c1 790919813 SGNDINGOYPIQDI-OAHLLOKOSA-N 436.328 -0.266 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 864001743 GDJPNODEBHBGFL-CQSZACIVSA-N 436.490 -0.005 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CN1CCCC1=O 919653098 RYRXATRHRKNGTJ-UHFFFAOYSA-N 438.506 -0.590 50 20 IBGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2c1=O 920238465 DGBQRKBQRHABAT-LBPRGKRZSA-N 436.494 -0.216 50 20 IBGD O=C(/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NCc1ccco1 1779207671 VZYKJIWAJFALCX-QSYSNMATSA-N 425.869 -0.118 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779915826 OJBBHPFZXYRSDL-IYHCKTHZSA-N 441.448 -0.240 50 20 IBGD CCN(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790554628 MCGQOLSAZAKDRO-USJZOSNVSA-N 432.525 -0.381 50 20 IBGD CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792485011 BIUTVHFLOOTLOZ-DDFAGTSDSA-N 446.493 -0.905 50 20 IBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C(C)(C)C 1793198600 PNKURNVIQSNRRL-WTLGNFPFSA-N 439.557 -0.500 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803664124 JPYROOFHMQDDDD-CFLQYTFWSA-N 438.293 -0.408 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1825999750 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C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840474151 JPYZBNOWPVZWRO-WWGRRREGSA-N 445.318 -0.279 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 16785835 PDWSAHPNMUSCIT-ZFWWWQNUSA-N 431.536 -0.120 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746592114 UMKDTAPLWSTBGX-ZCFIWIBFSA-N 434.374 -0.139 50 20 IBGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C 749185149 PVJYEXHZXLUANH-TXEJJXNPSA-N 432.481 -0.799 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1 764225696 CHWYSCBTZSJXBD-MRVPVSSYSA-N 426.373 -0.349 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)n(C)c1=O 765127861 XSOZNJRNWHKSHD-UHFFFAOYSA-N 426.842 -0.903 50 20 IBGD CN(C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1=O 777838128 QWSJNXUZFFIQMR-LBPRGKRZSA-N 425.349 -0.777 50 20 IBGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 778554323 OBDAFUXYSVWNKG-NSHDSACASA-N 433.433 -0.173 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978579 ASLXOMQCEWJWLH-QLFBSQMISA-N 448.476 -0.779 50 20 IBGD Cn1cc(/C=C\C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O 809246234 QQTZBUMRMJKHFA-SREVYHEPSA-N 431.361 -0.990 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779064398 JVGMSACZJZRHRX-HSZRJFAPSA-N 440.305 -0.492 50 20 IBGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c(=O)nc1O 1785352865 FFWGLWWBFPHRDZ-YVEFUNNKSA-N 443.298 -0.129 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(O)ccc1O 1790263724 PGXLZGYTKMWHQC-DCPHZVHLSA-N 440.261 -0.315 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1791257496 KCUKVYXMKOFHTC-YFKTTZPYSA-N 429.823 -0.102 50 20 IBGD NC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1795670960 ADQBQJJEEBWYMI-YHELAOLJSA-N 437.305 -0.688 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nc2nccn12 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O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838969626 SYVKMPSTCIGJOX-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839273702 KSLZNLOZEPABNJ-CRAIPNDOSA-N 443.840 -0.030 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839874882 FCCUKEFIPYARNQ-XNJGSVPQSA-N 434.331 -0.002 50 20 IBGD Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183894 HDUZGCJUSMYPSG-FQEVSTJZSA-N 436.513 -0.979 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840184085 RBCKADOVMGSVTK-LJQANCHMSA-N 439.538 -0.485 50 20 IBGD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)nc2N1 1843011115 SHYNHLRSUAIKFP-UHFFFAOYSA-N 434.261 -0.223 50 20 IBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@H]1CCS(=O)(=O)C1 728176476 PDFZRBZFSNAGLP-ZDUSSCGKSA-N 449.526 -0.048 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1=O 732259468 FCHFIZVBESJHAY-HUUCEWRRSA-N 431.493 -0.170 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H](C)O1 732264332 SULJKVRDXBGSSE-OKILXGFUSA-N 444.510 -0.439 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCOC1)c(=O)n2Cc1ccccc1 745421119 JKEORYXSCNUXCV-OAHLLOKOSA-N 440.460 -0.388 50 20 IBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737416 FJRHYNTYQCCLBW-AWEZNQCLSA-N 431.522 -0.099 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 771901768 NPBMNOPNPFSDMN-GFCCVEGCSA-N 443.478 -0.181 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)o1 777777057 DDCOQQIMZFYDFI-UHFFFAOYSA-N 430.302 -0.372 50 20 IBGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783999348 MKPFIYSTBKEUAR-UHFFFAOYSA-N 446.508 -0.534 50 20 IBGD COc1cnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 814785014 WKVZRSBKCNQBPF-UHFFFAOYSA-N 449.489 -0.100 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779535795 CEUKHXXHFFBPCE-WHSLLNHNSA-N 437.541 -0.436 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783874566 IZDHHGOVPAOVJO-APWZRJJASA-N 430.933 -0.766 50 20 IBGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784374758 SPOLDVHEOLVTJB-WDSOQIARSA-N 445.325 -0.734 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784559055 QHJXOZLYIOYDJI-OAQYLSRUSA-N 439.476 -0.449 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983982 ISZLOOMSFSXEBR-XIVBQZFQSA-N 445.325 -0.736 50 20 IBGD N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccn1 1786984393 JVVZEQDDODTXHI-UHMOLFJZSA-N 438.293 -0.945 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C[C@@H]21)c1cccc(B(O)O)c1 1786985166 OWLDEQGSFUHLOG-RHNZQBAGSA-N 428.319 -0.165 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccn3)[C@H]2C1 1787102502 UEHDONLADTUEGT-SMKMMKTPSA-N 441.492 -0.003 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21)[C@@H](F)Cl 1787443746 CCRCXJVIKLXTAW-PWNZVWSESA-N 425.910 -0.769 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21 1787508635 FCJKGUOQTWZHMT-BTYIJUTOSA-N 428.493 -0.372 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793775079 BCKJOOCFYOPISN-BEHLRCOKSA-N 427.929 -0.033 50 20 IBGD CC(C)(C)n1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732427 FAFCARFVMBVRBK-HGKCTWBKSA-N 440.309 -0.165 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccccc12 1796843177 XOGMRVGOBNOKLS-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc2ncccc12 1799975497 JKHZFJDCTNYHSW-CWPLJXCYSA-N 446.272 -0.173 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800640404 WJBAJXSVOMYBNO-FBKDDSFISA-N 431.287 -0.699 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804191198 WJFGZNKVDQMYLK-GRDNDAEWSA-N 437.884 -0.107 50 20 IBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cncn1 1815361923 UMTNUXKPIPLPLZ-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831841489 NGKJQXDEDYKOBU-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833191194 XZNPWMVOVCNMFQ-JOCHJYFZSA-N 447.536 -0.156 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1835927100 FIOGEEWJUJOWNH-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1835929535 USGIMRACQGJJND-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD CC1=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CCO1 1835935994 ZDYKAWWRSKRMTA-OAQYLSRUSA-N 430.266 -0.869 50 20 IBGD CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920068 INGBWHKWGWCZLO-UHFFFAOYSA-N 445.325 -0.495 50 20 IBGD N=C(N)SCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199557 QBYLKDUKRZERTG-GWCFXTLKSA-N 427.296 -0.240 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840034530 OITBMWHXARTXCJ-IIYDPXPESA-N 432.315 -0.153 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275767 NRURLZPUVIFBNN-BPZDKFOGSA-N 440.541 -0.633 50 20 IBGD O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1)N[C@@H]1CCS(=O)(=O)C1 742366917 CRAONOXQQLPMAD-IAGOWNOFSA-N 445.501 -0.060 50 20 IBGD CCCCNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755533590 BXBNNVWVOLIROT-LLVKDONJSA-N 435.528 -0.145 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Br 757095627 IODCIIAZYPDBPU-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)CO)sc2c1CCN(C(=O)OCC)C2 764430275 UVWPTFBWCOKGAU-UHFFFAOYSA-N 442.450 -0.482 50 20 IBGD COc1cc(C#N)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766252911 YBZSHYKSFMVTOC-UHFFFAOYSA-N 426.393 -0.833 50 20 IBGD CCn1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 766635799 FGQBPCOYHMIZRC-UHFFFAOYSA-N 434.522 -0.021 50 20 IBGD CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766644834 QHTYDOWJPBMGDJ-CYBMUJFWSA-N 428.449 -0.253 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 794804165 ANJPPIQXQGFJOE-UHFFFAOYSA-N 430.446 -0.064 50 20 IBGD O=C(Cn1cnc2ccccc21)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 913495782 KWDASAVSFALWEK-GFCCVEGCSA-N 432.462 -0.651 50 20 IBGD NS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 915188270 VDBGFXDQTRGCPX-UHFFFAOYSA-N 438.554 -0.738 50 20 IBGD COc1cccc(C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 919886830 VOZGAGSWPDFBNK-DZGCQCFKSA-N 437.482 -0.709 50 20 IBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1320148834 YASLYEPZUUPNQI-UHFFFAOYSA-N 439.542 -0.305 50 20 IBGD O=C1Cc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc2N1 1778390325 XIBVLYPEQWUAGM-QHCPKHFHSA-N 449.272 -0.382 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778469365 SOGWEHHYRVRKNM-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778686420 WOMOTBWGUGVQPY-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CN1CCCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982679 CWASASUWMPMQGZ-LEAZDLGRSA-N 429.326 -0.556 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccn4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786983513 WHLSSEBSQFUVCD-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1788611519 IHMBAZIYMDRTER-PJODQICGSA-N 441.448 -0.912 50 20 IBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO)NC(=O)NCc1ccccc1 1800149640 CMIVOFZCDYFDQP-REPLKXPHSA-N 447.536 -0.020 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370427 DQWGUWGCFSLFAL-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814321613 GURXVBCMAXBJEM-LBPRGKRZSA-N 437.308 -0.907 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnnc1O)CC2)c1cccc(B(O)O)c1 1815361207 ZWQAJAMOIWSIJJ-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831323341 JFGWHHBLZDMUQI-XUJVJEKNSA-N 429.898 -0.695 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ncccn1 1834232462 YLHJLFHGHXHFQS-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cncnc1 1834234958 GEMJESIIAOTFLW-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(CC1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835418581 QTVLCEXJHHAJCF-QFIPXVFZSA-N 446.309 -0.747 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1835926267 JPVOQWFHOYPDCH-GHTZIAJQSA-N 432.282 -0.995 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1840033924 UZNMSIZSMMAJMZ-MAUKXSAKSA-N 447.374 -0.526 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840435288 RLGXNMFRUFHVEN-APWZRJJASA-N 428.917 -0.364 50 20 IBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@H]1CCS(=O)(=O)C1 728176470 PDFZRBZFSNAGLP-CYBMUJFWSA-N 449.526 -0.048 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748238902 BMEPEUJGZUYPCZ-UHFFFAOYSA-N 437.522 -0.929 50 20 IBGD Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229634 BKMRBUOPYWMYFM-LLVKDONJSA-N 436.450 -0.399 50 20 IBGD CCn1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nc1C 768056225 RBGPNKSWTPOHIA-UHFFFAOYSA-N 434.522 -0.021 50 20 IBGD Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)nn1 784004507 XQEYPLGEERLXII-UHFFFAOYSA-N 442.461 -0.143 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(-n4ccnc4)nn3)cc2)CCN1 788179788 ZPZXNRKRAVGWOH-UHFFFAOYSA-N 442.461 -0.460 50 20 IBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 793354340 UZXXYSGNDYUYCJ-LBPRGKRZSA-N 434.492 -0.246 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 801107222 QPQUILNELUUQBX-GFCCVEGCSA-N 436.494 -0.202 50 20 IBGD CCc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1779695881 FXMTWLHWAOPFKV-HXUWFJFHSA-N 428.449 -0.007 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334473 OCRGWLRHYOUOEO-RISCZKNCSA-N 425.324 -0.009 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784515135 LWWNJDQQHDAZQI-NRFANRHFSA-N 434.541 -0.218 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784631581 CWQAZBTWTCBQPD-SZNDQCEHSA-N 441.492 -0.105 50 20 IBGD CCOc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1785611075 SYLCHGXEIFVFTL-ZOBUZTSGSA-N 448.524 -0.158 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786983468 VHEKHUZPLQCEDV-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cnn1C 1797749655 IWACILNSSYEKCO-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD CC(=O)O[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C(C)C 1801011201 AHDQCSVHFFCUMF-WTLGNFPFSA-N 426.514 -0.463 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825216427 PKBFPRFJTFVQIM-YGRLFVJLSA-N 430.295 -0.427 50 20 IBGD NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccc1 1830722898 IRIANUHVSOKIPP-SQGPQFPESA-N 425.913 -0.215 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1831871056 LOGSOONSGQOGLA-DLBZAZTESA-N 438.573 -0.428 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836141174 ZNWWHPXIWISWCZ-UHFFFAOYSA-N 447.540 -0.672 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837604778 OUEXTCCPIBXUGR-UZLBHIALSA-N 428.530 -0.371 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185183 MDYAZFXACJVXKT-QRWLVFNGSA-N 426.514 -0.569 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1846386326 AJWAFFJHUANTRH-UHFFFAOYSA-N 427.552 -0.577 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3nccn4cnnc34)[C@H](C)C2)n1 749452012 WGBRCARZPSXCJX-CYBMUJFWSA-N 429.510 -0.210 50 20 IBGD Cc1cc(N(C)C)cc(C)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757754955 OXRRAIAPXUAZOT-UHFFFAOYSA-N 442.480 -0.031 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)n(C)c1=O 867654248 HQMRGICGKILXPN-UHFFFAOYSA-N 435.784 -0.149 50 20 IBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 913151421 IPNCPRXHTDINKJ-AWEZNQCLSA-N 437.478 -0.390 50 20 IBGD C[C@@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1255066004 RBBMFYJJJMXFQB-AWEZNQCLSA-N 425.559 -0.050 50 20 IBGD Cn1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030632 FAJANKHVVBESTD-FQEVSTJZSA-N 427.465 -0.895 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1779033984 HFXYHMRWYROKPE-SFHVURJKSA-N 446.493 -0.961 50 20 IBGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(=O)[nH]c1C 1783935906 GIHGAWFNISNRON-HXUWFJFHSA-N 434.497 -0.797 50 20 IBGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983333 NNIHFRCSJKYSDE-WDSOQIARSA-N 445.325 -0.734 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056376 VYLWSDMVDGHMBD-FGPLHTHASA-N 436.303 -0.186 50 20 IBGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1793988978 RBVSOHWUKJLSBY-USGNIVHTSA-N 433.509 -0.405 50 20 IBGD Cn1ncc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cccc21 1797087916 JMWFTAFQQXVULF-VPTLXERWSA-N 448.288 -0.230 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2)[C@H](F)Br 1799346599 DJFRFSWGIHWGER-ROHXPCBUSA-N 427.292 -0.156 50 20 IBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801011575 UNOXTBDIQCZLRH-CCWDJLKJSA-N 447.492 -0.556 50 20 IBGD CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335938 VJDIARXMNXKANK-ZDUSSCGKSA-N 445.310 -0.680 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CN1 1825199542 VYQQEFRQBDUZRC-YPMHNXCESA-N 428.279 -0.815 50 20 IBGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1829895509 DCAOMKGPFCWATE-NRFANRHFSA-N 439.557 -0.842 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306149 KOZCIHLLSOLBNF-CJNGLKHVSA-N 437.990 -0.162 50 20 IBGD Cn1nccc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801301 XZFJYDWEXZVFJD-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1ccnn1 1839711075 VJFOWXSZJHIHBL-TYNCELHUSA-N 434.266 -0.014 50 20 IBGD Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184270 GDUDKJIURCHGQN-SFHVURJKSA-N 440.526 -0.710 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNc3ccccc3)cc2)CCN1 729514169 PNTXGMILNSYPJK-UHFFFAOYSA-N 431.474 -0.320 50 20 IBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCc3ccco3)CC2)o1 748326979 BPXFIIXMEUDSMD-UHFFFAOYSA-N 439.450 -0.349 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(=O)n3C)CC2)cc1 757095949 NGWHFPZENFENDR-UHFFFAOYSA-N 447.517 -0.539 50 20 IBGD CNC(=O)Cn1cc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 757867681 VIBNLKJDVMUGNN-UHFFFAOYSA-N 437.482 -0.589 50 20 IBGD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CO 764421314 LXIOSDCVAJFGRE-UHFFFAOYSA-N 442.494 -0.273 50 20 IBGD CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764814923 AGXQZVDUPMDRKL-UHFFFAOYSA-N 427.421 -0.362 50 20 IBGD Cc1ccc(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 765725033 PDIGCDDIIZFBFU-UHFFFAOYSA-N 428.449 -0.333 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 787543604 ZAPIUQBPMVDUHR-ZETCQYMHSA-N 448.914 -0.174 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 812730865 ZNVQVLIPOMXLLL-UHFFFAOYSA-N 432.462 -0.361 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1778793696 ZNPCYUUFOJGQNI-NQIIRXRSSA-N 432.282 -0.602 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1782172345 UERCHWBYRRCNEM-JJFYZRJRSA-N 430.889 -0.648 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783333600 ACGBFHDIKSRCLP-NZQKXSOJSA-N 438.289 -0.587 50 20 IBGD Cn1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1787011504 MCDRZOSAIZNELB-IHPCNDPISA-N 440.309 -0.674 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc2ncccn12 1788003632 DQYNFYZGSRIRSF-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CC1 1795446646 JRIHEIWKQITBHA-XRGAULLZSA-N 435.338 -0.096 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1S)C2)c1ccc(B(O)O)cc1 1795732641 FZUFPGTXAZMWOE-XOIINTDNSA-N 427.291 -0.433 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736972 SIRORCINJUXXIC-BOLBYERCSA-N 431.342 -0.453 50 20 IBGD CC(C)n1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740370 YWCCVQSWBURJAR-HGKCTWBKSA-N 426.282 -0.339 50 20 IBGD Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1Cl 1797751677 NRHKZWRWUYDCOQ-QHBPRCKVSA-N 447.883 -0.411 50 20 IBGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)nn1C 1799491705 KNLRQBJTVVDBAL-CLLJXQQHSA-N 427.465 -0.007 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800264521 KWGYUEWCBYTKRG-HHWFLTMWSA-N 442.480 -0.437 50 20 IBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1O 1830243463 NXBLLBMMYAWWLK-UZLBHIALSA-N 442.896 -0.001 50 20 IBGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830725891 MQULYOSMCUSAOQ-KXBFYZLASA-N 427.885 -0.311 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1831658599 XXELDWWOEXGRQV-LIRRHRJNSA-N 427.885 -0.225 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832320580 QMGDHDPPIXYFGJ-GOSISDBHSA-N 430.889 -0.740 50 20 IBGD CC[C@H](NC)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834792586 YGWDSXONILPXNM-IBGZPJMESA-N 445.568 -0.132 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835386129 DSHUATNDNNCHBS-UYSKRRQASA-N 448.524 -0.472 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392499 AFVUEXNIJAHWCF-YJBOKZPZSA-N 448.358 -0.194 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508031 HGEHBRNEQZIGIY-ZBEGNZNMSA-N 431.833 -0.358 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839782822 KIYLPZFBRVYLDS-CRAIPNDOSA-N 448.614 -0.129 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185343 OOOHUBMKZCIPLS-GUYCJALGSA-N 449.346 -0.401 50 20 IBGD O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010727 WNQCMEVFVFWIJH-QGZVFWFLSA-N 439.321 -0.026 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845437444 PEAZRBXGCGAPLI-OAHLLOKOSA-N 433.270 -0.974 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)CCO)cc2)cc1 744895073 QELIVGIYCCFUIX-UHFFFAOYSA-N 431.426 -0.058 50 20 IBGD COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748247752 SNWXNVDHJGQSDX-UHFFFAOYSA-N 426.495 -0.134 50 20 IBGD CCOC(=O)NCCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 752621331 AUIBVVHMYFABAG-UHFFFAOYSA-N 428.515 -0.013 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)CCC(=O)N3)n(C)c1=O 755631078 YKIDFILTWHFFJV-UHFFFAOYSA-N 440.420 -0.829 50 20 IBGD COc1cc(C(=O)CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(OC)c1OC 758037986 BNJNIPWPNBMGPU-SNVBAGLBSA-N 431.467 -0.240 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 763862223 WCIRJUWKQMVUDW-ZDUSSCGKSA-N 446.464 -0.077 50 20 IBGD COc1nccnc1NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 764482027 QZPJPLBINJUCIY-ZDUSSCGKSA-N 443.507 -0.290 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(-n3cncn3)c(F)c2)n(C)c1=O 764815181 CDSDLMSJWABCJS-UHFFFAOYSA-N 425.384 -0.696 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccnc(-n2cncn2)c1 766635616 BANVBHCKFARFAK-UHFFFAOYSA-N 434.460 -0.119 50 20 IBGD Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 767715149 VSVSGMLHBJRWAL-UHFFFAOYSA-N 426.476 -0.046 50 20 IBGD COCCn1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 784020832 FNOIVWNJOVNUJC-UHFFFAOYSA-N 437.478 -0.375 50 20 IBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 918548366 ATBVXDIDFSEVLX-LBPRGKRZSA-N 431.540 -0.198 50 20 IBGD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)CN1CCCC1=O 920432601 CVISCFIXSLPEOO-JTQLQIEISA-N 427.439 -0.191 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC=C2C(=O)N(C)C(=O)N(C)C2=O)c1 920975324 DOIAFNPHJLPMRW-UHFFFAOYSA-N 437.478 -0.114 50 20 IBGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784372568 WQJDWQJIZURHCS-UGUYLWEFSA-N 425.530 -0.746 50 20 IBGD CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794470242 OCDLAUVEOMMFHB-CWPLJXCYSA-N 438.293 -0.656 50 20 IBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n(C)n1 1798166347 FADLAIQXDXZVRG-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803142948 OZMMRDVMRYEQID-COXVUDFISA-N 446.895 -0.001 50 20 IBGD O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1803645822 ZPFCWLHUHYVYMG-BPQIPLTHSA-N 438.249 -0.811 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806589869 HFSNVAFXUHVPFX-UHFFFAOYSA-N 436.513 -0.858 50 20 IBGD CN[C@@H](CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)C(=O)O 1809831746 GHANJIQGCQTPAL-KRWDZBQOSA-N 431.298 -0.726 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cnc(O)nc3O)CC2)C1 1809967172 YGGHKIYMEWOWAW-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072729 DTLUKKSMNFHXQI-DNVCBOLYSA-N 434.497 -0.184 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824676638 ATEWZMHBSMXTTR-BDAKNGLRSA-N 432.886 -0.148 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCN1 1826216517 QSIBZVILWNUYKP-GXTWGEPZSA-N 442.306 -0.425 50 20 IBGD O=C(CCn1cncn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826605857 PSLHRGSHSIJBMV-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccns1)CCO2 1833772867 KNDAYYOXENZPJI-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421683 DMVCVAQKQDGCDA-OAHLLOKOSA-N 446.390 -0.064 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837468065 YIRXRYDOEOGCNY-HNNXBMFYSA-N 427.354 -0.270 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838331042 STRBHGRNJXBUPC-KZULUSFZSA-N 425.873 -0.337 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1840182279 CXMHLSNWPIWUES-MRXNPFEDSA-N 442.410 -0.284 50 20 IBGD Cc1nn2cc(CC(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)nc2s1 1843010747 YCKVFJRLEPMCTH-UHFFFAOYSA-N 439.306 -0.161 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2CCN(C)CC2)C1 1845097866 DMDOGTFQMPRUFI-MXJLDLDKSA-N 443.552 -0.040 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728380015 MJJXOWANKITRQQ-GXTWGEPZSA-N 449.576 -0.331 50 20 IBGD COC[C@](C)(O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 754974691 PYVOADADRQOGTQ-SFHVURJKSA-N 429.495 -0.815 50 20 IBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CC1 756681995 LNZPPGPGNHBTKH-SNVBAGLBSA-N 446.507 -0.277 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 762861233 KRBSTXIAKKQWSY-LBPRGKRZSA-N 438.514 -0.526 50 20 IBGD CN(C)CC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)CC1 764424278 HHBQJQYSTUDSTE-GOSISDBHSA-N 433.509 -0.034 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)n(C)c1=O 765724528 LBSZVJBBNZPCII-UHFFFAOYSA-N 439.432 -0.978 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)n(C)c2n(C)c1=O 920605989 MQOGSQGVMUHCBY-UHFFFAOYSA-N 447.835 -0.153 50 20 IBGD COC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210723 FGOASYZJBYHYGJ-FOIQADDNSA-N 426.514 -0.174 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCCn3ccnc3)C2)C1 1784398956 MGFNDRJKUZYTST-NRFANRHFSA-N 441.492 -0.195 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784953304 IHQSFNJQUHLHJD-IHRRRGAJSA-N 426.546 -0.631 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1786404156 DUNKIVVVIGEEBB-SRVKXCTJSA-N 442.247 -0.524 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1793317511 CRBRRJDYZOBJKW-NWBUJAPZSA-N 440.360 -0.313 50 20 IBGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nc1 1795732737 FMSGMXKZEXJPGO-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccc1C=O 1795734798 REPLGQKHXJJJKY-DFYYWFRZSA-N 439.277 -0.555 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1800641915 MMVXTTCWTQFHIM-HCZIRCDUSA-N 434.331 -0.600 50 20 IBGD COc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801010582 IPAVUZCPNMHOII-FAQVEIGNSA-N 447.536 -0.015 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803139128 SZMFMILQSQAKRC-RYQLBKOJSA-N 431.685 -0.319 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)ncn1 1803737091 AHSBORDFQNQLEE-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD CC(=O)NC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335616 HUZLDBODGABFAA-CQSZACIVSA-N 444.322 -0.037 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736202 RVUUKEMDYFQYJV-KBXCAEBGSA-N 428.873 -0.829 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(=O)C1CC1 1833279172 LEPHIFKNZSTGCZ-UHFFFAOYSA-N 427.310 -0.469 50 20 IBGD COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835231730 FPUPKMQMCQNWBM-QCBCRBAMSA-N 435.481 -0.387 50 20 IBGD CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835889162 NYABTMRPKKXGRK-FQEVSTJZSA-N 427.546 -0.796 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837384714 FWVQOXOYMALUDE-PBFPGSCMSA-N 449.346 -0.066 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837486063 VSFJQABTDQNWMW-ZRGWGRIASA-N 441.916 -0.013 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839146358 XOXPKOXKPPCWNO-HNAYVOBHSA-N 439.900 -0.228 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839961811 JQWQVXVHJRGLPD-CXAGYDPISA-N 449.346 -0.113 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033327 ANZJSZVEKKQFGZ-AHIWAGSCSA-N 449.346 -0.066 50 20 IBGD Cc1cc2nnc(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)c(C)n2n1 1843697663 FYKYQJQLXMTXJR-UHFFFAOYSA-N 449.475 -0.130 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1844265327 RKGKFSMPHYEQDJ-UHFFFAOYSA-N 428.371 -0.819 50 20 IBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214530 QWVNTZMIXYEVLP-UHFFFAOYSA-N 440.570 -0.478 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)cc1OC 731731630 LBGSHFNLDLWIMP-UHFFFAOYSA-N 431.467 -0.274 50 20 IBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116817 HDYQYTQUVNXPKU-CYBMUJFWSA-N 436.494 -0.128 50 20 IBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)COc1ccc(C#N)cc1 749886593 YSGOKFRXLGLHMG-UHFFFAOYSA-N 446.431 -0.038 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(I)cc1 758045227 CBHKTMNELGWDLH-MRVPVSSYSA-N 441.247 -0.245 50 20 IBGD O=C1C[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1 760302064 QGHAOMATLYOHHE-OAHLLOKOSA-N 438.506 -0.686 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2cnc3ccccc3n2)n(C)c1=O 765727051 JCRXFGWSPPUUJH-FPLPWBNLSA-N 434.416 -0.762 50 20 IBGD COCCNC(=O)CN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 781431655 ZJFKOGRUMFOXKV-UHFFFAOYSA-N 441.916 -0.510 50 20 IBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 818514439 PKAZGIMXSLUPDV-BMLIUANNSA-N 426.426 -0.825 50 20 IBGD O=C(CSc1nnc(O)nc1O)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 915957695 RIZGYIKIANIVNP-UHFFFAOYSA-N 431.434 -0.316 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C)c1 916622277 FIKVJJFUTVEBBQ-UHFFFAOYSA-N 449.555 -0.401 50 20 IBGD COc1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1O 919755554 AUTCHZUFPPAKIW-UHFFFAOYSA-N 438.462 -0.165 50 20 IBGD C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1337715836 HUJKAULYTJGYEK-BIXPNRAVSA-N 432.524 -0.582 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1777899044 PTUDFCYSCWBWAP-JOCHJYFZSA-N 449.276 -0.525 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778630064 WXZAPJOTHCIPOT-HXUWFJFHSA-N 440.290 -0.167 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779030805 IKANWIIHVJAGGP-KRWDZBQOSA-N 440.298 -0.086 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)n1 1779232526 FFTBQAJJGRGPOJ-AUUYWEPGSA-N 426.901 -0.284 50 20 IBGD Cc1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779873258 URFXNCNCRLFCDF-XMSQKQJNSA-N 438.293 -0.094 50 20 IBGD N=C(N)SCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786849289 CBBKRCYSAWHMDG-CQDKDKBSSA-N 449.537 -0.705 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981007 KNTTYHLOADCWJF-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)CC1 1797138866 YTBNWPVIPDTPDQ-CRWXNKLISA-N 425.910 -0.218 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cncn1 1807374602 LOOXSYQDXIRBHJ-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCC(=O)N2)n[nH]1 1817088002 PZOPTHHFGJNBJD-UKRRQHHQSA-N 440.464 -0.007 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403835 IIDJROOYKXSBCD-IAQYHMDHSA-N 428.453 -0.151 50 20 IBGD CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832314722 ZPKGFKWXLMICLZ-NRFANRHFSA-N 449.508 -0.430 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832341243 QEKVKSQQMJXLQL-SIKLNZKXSA-N 446.309 -0.604 50 20 IBGD Cc1ncoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834367044 KJEDXJNGRUORBH-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD CC(C)OCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800557 MGIGNGJTRLKIFT-UHFFFAOYSA-N 431.342 -0.023 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n[nH]1 1835935385 DJCZZNBMWSCOAC-OAQYLSRUSA-N 442.281 -0.964 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937461 YDFSMAGBSZCQPN-GTCCEBARSA-N 430.310 -0.127 50 20 IBGD C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(F)(F)F 1839894750 PLJCBIHCPHQKRY-KRWDZBQOSA-N 436.431 -0.066 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2c1=O 29230598 ADCXNNUHRMINSO-UHFFFAOYSA-N 449.427 -0.563 50 20 IBGD COc1ccc(S(=O)(=O)NCCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 728177870 MRNLGFKTEAGJSB-CYBMUJFWSA-N 449.551 -0.136 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 729274784 CVGQGIQHGFJZPJ-LLVKDONJSA-N 438.503 -0.689 50 20 IBGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1S(N)(=O)=O 730894393 MIUPIZZQXPSQGR-OAHLLOKOSA-N 449.441 -0.213 50 20 IBGD CC(=O)Nc1ccc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755901387 DSHYULUWPOFJFP-UHFFFAOYSA-N 442.436 -0.447 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C 758852006 DHADKLAHYPQUJY-UHFFFAOYSA-N 449.559 -0.935 50 20 IBGD CCc1c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 760438514 WXYHWQSGQUXQRA-UHFFFAOYSA-N 448.480 -0.130 50 20 IBGD COc1cc2nc(C)sc2cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764225585 ARAKHXWEYJWBOR-SSDOTTSWSA-N 429.480 -0.363 50 20 IBGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764426128 TVRIXXQRYJSSGJ-INIZCTEOSA-N 435.481 -0.741 50 20 IBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OCC#N 764818203 SIROSEAENIZGCY-UHFFFAOYSA-N 425.405 -0.505 50 20 IBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 765410431 YKEPKSBQLKJUNH-UHFFFAOYSA-N 427.483 -0.271 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2coc(C3CCCCC3)n2)n(C)c1=O 777275756 SFSWSBSZHUZSPH-UHFFFAOYSA-N 429.437 -0.069 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccccc2O)[C@@H](C)O)cc1 779512694 AYWMFRPIAWDMJI-ACJLOTCBSA-N 437.474 -0.045 50 20 IBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781958595 RDYQPZDHWAVOEO-JSGCOSHPSA-N 432.886 -0.463 50 20 IBGD COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(Cl)c1O 785612290 FLDKDDDFUFHKCO-UHFFFAOYSA-N 436.812 -0.738 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 812729035 CIPJNKLGGTXUSA-UHFFFAOYSA-N 435.466 -0.312 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 815751000 OWVWGJZEXANIJU-UHFFFAOYSA-N 430.450 -0.006 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 815751802 OTAHASJCMNEVBR-UHFFFAOYSA-N 430.450 -0.006 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1=COCCO1 863949958 CNAGNPDNIUERFN-UHFFFAOYSA-N 425.463 -0.324 50 20 IBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CO[Si](C)(C)C)C1)C(=O)C(=O)O 1779546176 HQXZMRAACVJNGY-AUUYWEPGSA-N 443.573 -0.105 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSC(=N)N)C2 1782210721 DRUUSZXCYIRKKA-FZKQIMNGSA-N 428.559 -0.500 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732501 NBCOIHDKQVDZKU-VYCZESIESA-N 426.282 -0.898 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357828 NSVBPVLMMXAJQS-MMWGEVLESA-N 426.271 -0.438 50 20 IBGD CCc1ncsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798762080 WZILHCFMKMJFQZ-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801571586 CBBYKECNTLJNGD-HNJRGHQBSA-N 429.326 -0.558 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808945927 HHRUABPSDVBXTJ-KXBFYZLASA-N 449.475 -0.309 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnc(O)[nH]1 1810949272 WHYLWYVBAABELR-QAPCUYQASA-N 435.249 -0.177 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)N1 1816965254 VRSSRBXUZMRTMJ-GOEBONIOSA-N 425.254 -0.326 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)N1 1827050998 JVHWISKEGJHYAI-RBUKOAKNSA-N 427.310 -0.122 50 20 IBGD COC(OC)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797802 HVEYNNYZXZSGFR-UHFFFAOYSA-N 433.314 -0.830 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837701836 XOBLNIPWPKCVTI-AXAPSJFSSA-N 436.278 -0.176 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837965053 QUPDNDQATXCPOB-UHFFFAOYSA-N 435.529 -0.350 50 20 IBGD CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394763 UVPYYMGKSAFKLH-UHFFFAOYSA-N 446.508 -0.567 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1840183609 PACYXVBNFXMDOH-QFIPXVFZSA-N 446.504 -0.301 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 18055529 MQHPAWFGIWQIKM-NSHDSACASA-N 432.412 -0.422 50 20 IBGD COc1ccc(OC)c(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 726451205 ZZOHIWFIINXBNQ-UHFFFAOYSA-N 440.507 -0.394 50 20 IBGD O=C(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 728323029 RLWMGMOTTRMOOK-JIMOISOXSA-N 445.350 -0.026 50 20 IBGD N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728342745 QIBVUFCBOGBOGQ-QGZVFWFLSA-N 438.396 -0.181 50 20 IBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)COc3ccccc3O)CC2=O)c1 746234281 IYHFHGGKLZPQGL-LBPRGKRZSA-N 448.457 -0.381 50 20 IBGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 755255086 FVGHRVDMWASDFV-DSCSFJNRSA-N 426.429 -0.036 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1OCC(=O)N1CCOCC1 756872911 DYHDSDIDROAJKG-ZDUSSCGKSA-N 440.478 -0.488 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 764225584 APWCHJXCXGUETP-SMDDNHRTSA-N 428.467 -0.732 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(F)(F)F)cn2)n(C)c1=O 765730379 JYPLDAGYGSAKOP-UHFFFAOYSA-N 425.327 -0.691 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2csc(C(C)(C)C)n2)n(C)c1=O 765730920 PRLZYOXNFLPTJO-UHFFFAOYSA-N 433.494 -0.422 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)[C@@H](C)O)cc1 779547517 WAVODSTZRTUGSP-IUODEOHRSA-N 444.510 -0.305 50 20 IBGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)nc2ccccc21 782892611 CFDMKHRDHVUQPL-UHFFFAOYSA-N 449.471 -0.162 50 20 IBGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 792969914 DSSKQKCHIQAJTG-VBKZILBWSA-N 446.464 -0.036 50 20 IBGD O=C(COC(=O)c1cn(C2CCOCC2)nn1)NNC(=O)[C@@H]1COc2ccccc2O1 811302491 ZEKQHHCHUAANKM-INIZCTEOSA-N 431.405 -0.226 50 20 IBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 816810288 GUYGHAZAIORDRY-OAHLLOKOSA-N 446.551 -0.196 50 20 IBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(OC)c1 915141088 BWHGPKWZHWSSMD-SWLSCSKDSA-N 439.490 -0.110 50 20 IBGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 916649762 SVKSYAUEBZYTIK-UHFFFAOYSA-N 438.510 -0.045 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330414 AFCJRGWVNQSVLN-CZUORRHYSA-N 429.051 -0.500 50 20 IBGD CCOC(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)OCC 1784167072 SAHNHOORBUBZFK-OAQYLSRUSA-N 449.508 -0.082 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031796 BQAZVGNSWQWNJC-CYDGBPFRSA-N 445.314 -0.309 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2ncccn2n1 1788303014 LVXFKUYBUJJPNT-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD CCc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734981 DTFAIOUEOZGLHT-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1CCN(C)CC1 1799965444 JSZZUNFDLCTPJH-GEALJGNFSA-N 428.342 -0.746 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cnnn1 1813468188 DRGTXDRAYJPECQ-LJHODMEESA-N 449.280 -0.671 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1830535299 LXJOUMUKCOGCGM-WQGACYEGSA-N 434.287 -0.418 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1 1834378659 SPRLKTYQGBOQDE-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1834825399 YHRZKXKJZOGTKT-KRWDZBQOSA-N 443.298 -0.515 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537601 SIUPTVMSHINCGE-BBRMVZONSA-N 441.849 -0.425 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461535 YBRPLHXWUMIBHT-SZNDQCEHSA-N 447.492 -0.630 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839965331 VNIVSWCTTCLGCC-MEDUHNTESA-N 431.287 -0.508 50 20 IBGD CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183606 OWRUARGZIRWZIJ-FQEVSTJZSA-N 436.513 -0.654 50 20 IBGD COc1ccc(C2=S=C(C(=O)NNC(=S)NCCNS(C)(=O)=O)C(N)=C2)cc1 727069719 GBCPKMYWGGXNMQ-UHFFFAOYSA-N 443.576 -0.978 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 744387583 CLYGRYZZJLUMFX-UHFFFAOYSA-N 442.501 -0.211 50 20 IBGD O=C(COc1ccccc1CNC(=O)NNC(=O)C(=O)N1CCCC1)NC[C@@H]1CCCO1 748463136 YGCPNGLODKWDIT-INIZCTEOSA-N 447.492 -0.187 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 751201374 JAIFQEPWDWIIFH-UHFFFAOYSA-N 426.407 -0.916 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 757776363 DWNZNQSEVCMQID-JTQLQIEISA-N 426.455 -0.245 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 763814329 SBTRQCWMQQIEQB-UHFFFAOYSA-N 436.428 -0.341 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772157321 BCHDYSAEFJOORU-AAEUAGOBSA-N 431.515 -0.171 50 20 IBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 779526354 RRHYRVUICYYWTI-LRDDRELGSA-N 426.495 -0.574 50 20 IBGD O=C(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)[C@H]1COc2ccccc2O1 914816089 FFSFPUHDPKVMIE-GXFFZTMASA-N 445.350 -0.072 50 20 IBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 919690426 OAYFFLZLBJAEHC-UHFFFAOYSA-N 425.488 -0.029 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777713021 ATCZEROTMMQAMM-NRFANRHFSA-N 436.233 -0.340 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccn1 1782556665 XLEBYFOQFRLKKV-ZWDAVXSWSA-N 440.309 -0.048 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031797 BQAZVGNSWQWNJC-RVMXOQNASA-N 445.314 -0.309 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979392 CWVISWPDFWJSCR-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3n[nH]cc3c1)C2)c1cccc(B(O)O)c1 1795738833 HRUCLVRTSKHXEU-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2)c1cccc(B(O)O)c1 1795741248 OKEVOUJCSSCSBJ-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nn1C 1798322934 VNBOPFAJCTXUAU-IVWMJMPLSA-N 441.492 -0.502 50 20 IBGD C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799304154 QRTCLAWXRMMLEY-ZSBFGKGUSA-N 445.476 -0.602 50 20 IBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1O 1801009089 PDHOXJKWZSFPSF-MFKICJERSA-N 448.520 -0.094 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365439 OYTXYRVFUZFDKQ-JQHSSLGASA-N 431.685 -0.319 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cccc(=O)n3O)C2)CC1 1807553517 IKNWLADLQVCWEG-UHFFFAOYSA-N 439.277 -0.076 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819402591 CPNBDYPEUOGDNC-CQSZACIVSA-N 439.440 -0.599 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1821958009 PCHFFNIMXUGUKD-XJKSGUPXSA-N 425.254 -0.469 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(=O)[nH]c1C 1830725206 LWZADFYVQQKHGI-UGSOOPFHSA-N 428.873 -0.944 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736727 WHQVTNNYSNPPTP-KSSFIOAISA-N 428.873 -0.665 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834597444 FOUHNWPSNQGOPQ-FQEVSTJZSA-N 436.465 -0.917 50 20 IBGD O=C(CN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835398089 CHKHNGFTUBUODN-GOEBONIOSA-N 438.294 -0.535 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839146814 XJBZSIAPRZAIHZ-SGTLLEGYSA-N 425.873 -0.337 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840152464 JBWPZZMUOLBIDX-FUHIMQAGSA-N 440.928 -0.338 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 726983086 HSCXEHXHXAGLSC-UHFFFAOYSA-N 429.458 0.000 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 744413608 ATBHAAYWRDPPEJ-UHFFFAOYSA-N 432.462 -0.545 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)N(C)C)c(=O)n2Cc1ccccc1 750191910 MQKDKGFGKIMMKP-AWEZNQCLSA-N 441.492 -0.475 50 20 IBGD C[C@H](CNC(=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1)S(N)(=O)=O 763641081 CVBPUHHPAPSYJM-CYBMUJFWSA-N 434.474 -0.327 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1 763663583 WHCYPFYOBKLXHS-UHFFFAOYSA-N 436.446 -0.232 50 20 IBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 770106121 AORCPXWTVCYFGP-DZGCQCFKSA-N 443.478 -0.519 50 20 IBGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 795346702 CFYNSHNPPUOEDQ-UHFFFAOYSA-N 430.483 -0.103 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1779028467 MCHLDKPBUCIIAC-FQEVSTJZSA-N 427.417 -0.396 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781487209 ALLNPZBVJQTMMD-IIBYNOLFSA-N 448.524 -0.870 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1781997080 BQVMMPRUPRVQKG-PSTGCABASA-N 445.314 -0.165 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784932868 QSNKHPXPFMRZAH-NRFANRHFSA-N 431.493 -0.398 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785451071 VYVLMVLFOWFFOH-JXFKEZNVSA-N 425.530 -0.506 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n[nH]1 1789303647 RBHOXVLTMSTFEB-NUTKFTJISA-N 427.465 -0.376 50 20 IBGD Cc1n[nH]cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789313833 KSSDNGBQVDKPEW-ZLIFDBKOSA-N 427.465 -0.376 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792183718 TVXWKGDCWJJBPD-FFGOWVMKSA-N 445.325 -0.736 50 20 IBGD CN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792999244 QVFOXMCZECUWQE-LTCOOKNTSA-N 430.509 -0.627 50 20 IBGD Cc1nc(F)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735218 QFRGTRZYBMSMOP-CCWDJLKJSA-N 427.241 -0.274 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1801011571 OCJVQHHAYMHCGR-ZSBFGKGUSA-N 429.481 -0.695 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1801012163 JQRIAYPQMRUGMU-GXNBUGAJSA-N 432.525 -0.523 50 20 IBGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cnnn1 1822853403 KYMYXYKFLSYRIC-BLLLJJGKSA-N 438.257 -0.357 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1ccnn1 1824682424 GUDGMFGMIGFXLF-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD CC(C)OCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833135029 NKZRTGBMGUYTOP-UHFFFAOYSA-N 431.342 -0.023 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccs1)CCO2 1833933765 LANLOXLVWURDIO-FQEVSTJZSA-N 430.291 -0.188 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102447 SLZBLTXEQQHPQF-HSZRJFAPSA-N 442.516 -0.133 50 20 IBGD CO/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837459010 HCFTUGHZQKYSSD-HKFHZZIHSA-N 433.465 -0.695 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837702680 GYMMVWGGXZLGRW-XNJGSVPQSA-N 432.315 -0.083 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839151970 JPWWWQTVMLSLKV-HUUCEWRRSA-N 431.338 -0.276 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839963570 OJNBTOBFZSRGOZ-IIYDPXPESA-N 449.346 -0.791 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 16785782 KPBUBOJGVRSFJW-CYBMUJFWSA-N 441.487 -0.046 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 728386445 GBZKTVRGUPHYFQ-OLZOCXBDSA-N 447.510 -0.192 50 20 IBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 730271120 LJTYOKKFMSFHFL-IBGZPJMESA-N 448.545 -0.115 50 20 IBGD O=C(CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NNC(=O)c1cccc(Cl)c1 734839142 XGLAECKFEDULHY-CABCVRRESA-N 430.914 -0.812 50 20 IBGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440335 GPAMCOLHSVXTGZ-VIZYAEIXSA-N 440.412 -0.587 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 764228305 XKPFSCPGGBIWNV-LLVKDONJSA-N 425.467 -0.773 50 20 IBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 767096684 LYJPQQIZMJAYMR-UHFFFAOYSA-N 434.522 -0.196 50 20 IBGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)CN1CCCC1=O 789856534 IIURCWOJAUEFCO-CQSZACIVSA-N 435.506 -0.090 50 20 IBGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212318 BBCKZXPZJVPBBM-DPQIITEBSA-N 430.508 -0.516 50 20 IBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1115984357 OYBQPJMMUYJJEX-AWEZNQCLSA-N 425.515 -0.553 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[nH]n1)C2 1779371342 QDNZESSYOHHAIN-OXQOHEQNSA-N 427.465 -0.151 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783343326 SXEBGARMNRQELF-MAUKXSAKSA-N 439.115 -0.017 50 20 IBGD Cc1ncc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1784436612 UDDHPPKBPUZXOQ-FQEVSTJZSA-N 429.307 -0.182 50 20 IBGD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1794349875 PURZSFPKRFTPMA-IZZQQSIFSA-N 440.309 -0.165 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1796439425 CGVNZCPZGDVVJU-DHMDNZFNSA-N 439.476 -0.257 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440181 GVSNNLDIUZCSEZ-SYUVJTQPSA-N 446.508 -0.423 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2snnc2c1 1798506847 MUMSOZCGHFOUSO-FVCICTRLSA-N 447.521 -0.338 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825216425 PKBFPRFJTFVQIM-IINYFYTJSA-N 430.295 -0.427 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cnnn1 1826987027 OBJDUODKAXJCBE-MNOVXSKESA-N 435.514 -0.324 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccs1)CCO2 1834432609 OZIMEMAYPMXTQW-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD O=C(/C=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927137 IKAWVDOCEXBOQD-DORXLWPQSA-N 440.261 -0.257 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840187076 JNTUHQKLMWXZSW-OXQOHEQNSA-N 426.514 -0.758 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840590750 VSBFZNDDDWWHLZ-UWJYYQICSA-N 440.541 -0.368 50 20 IBGD COc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OCC(N)=O 732259555 HHPDNEGMBJHSMK-STQMWFEESA-N 438.481 -0.172 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 735584665 XLHDSGNVCVTPCD-HNNXBMFYSA-N 449.493 -0.580 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)n(C)c1 751204776 OXMPDFCMLDCHJA-UHFFFAOYSA-N 425.467 -0.160 50 20 IBGD COc1cc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc(OC)c1OC 758856203 TZIGXNWOMLQXEJ-UHFFFAOYSA-N 433.487 -0.511 50 20 IBGD CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)C1=O 761110279 NLGAVBPGWMZRFD-UHFFFAOYSA-N 425.467 -0.205 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 763669397 XCDIALBGQKJISF-UHFFFAOYSA-N 437.478 -0.291 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OCC(F)(F)F)c1 764230317 HDROBEGNEMAYCV-VIFPVBQESA-N 440.400 -0.040 50 20 IBGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)cn1 764423624 CPEGSGZOYYKJSC-HNNXBMFYSA-N 443.416 -0.156 50 20 IBGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COCCO2)c2ccccc2O1 764435383 UVGSPFWFVJXNLQ-DLBZAZTESA-N 448.476 -0.352 50 20 IBGD CCC(=O)c1ccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765721995 RQBYLECKIFSJQX-UHFFFAOYSA-N 442.432 -0.747 50 20 IBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 766275928 MDRUEYJHXDBQGS-LSDHHAIUSA-N 439.542 -0.442 50 20 IBGD Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C(N)=O)CC2)c1 770532286 HSSLNBZXSOSPCU-UHFFFAOYSA-N 425.511 -0.042 50 20 IBGD Cn1cc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 813012157 VRTWYFHQINWZGX-UHFFFAOYSA-N 437.482 -0.379 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919688917 JYIVPJCABSKRIM-UHFFFAOYSA-N 429.433 -0.186 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778568183 OHAZIYDTFIJKBX-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc(Cl)nc1 1783378802 FYOYPXPMYYPYFB-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)on1 1786980131 MISUORJFCJFMGB-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115685 GQNPFAMSFCFIOK-PEGIJTEDSA-N 426.271 -0.436 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3[nH]1)C2)c1cccc(B(O)O)c1 1795739256 XKIXHSUIADCNQF-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@@H]1CCCS1(=O)=O 1800392279 RGQJNDCOCOJNTB-OSUNSFLBSA-N 427.292 -0.156 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H](O)Cc1ccccc1 1800632836 LADMDUFVWWAGMF-KOUHRCEDSA-N 438.289 -0.827 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364275 POMVQHMJUQUXGR-LPHOPBHVSA-N 434.265 -0.179 50 20 IBGD CN(C)C(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335925 VJDIARXMNXKANK-CYBMUJFWSA-N 445.310 -0.680 50 20 IBGD CC(=O)NCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477010 KQAGIECSVCKISA-KRWDZBQOSA-N 427.270 -0.078 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833800602 WAFFCWWOCQWRCV-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1)c1ccc(B(O)O)cc1 1834800667 WVPKFAKRVZMIFI-QGZVFWFLSA-N 429.326 -0.412 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835316959 RUFOATGFQMCDOQ-PBFPGSCMSA-N 432.315 -0.105 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cs1 1835929394 NSPXMYUIEXSZRG-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460037 ZQENEDNSTQNPOH-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837497694 KJTRUNHZMPVOLO-GRDNDAEWSA-N 438.836 -0.528 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)N1 1837736590 RLZSSOXQQJZUNH-IBGZPJMESA-N 443.309 -0.743 50 20 IBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)o1 1838003011 XAVRXRYLCMYSNS-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD O=C(Cn1ccncc1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202685 MSIRUUZPCCYYCT-GDBMZVCRSA-N 447.261 -0.610 50 20 IBGD COCCN(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 727032536 DMKYDAFOYPNLKY-UHFFFAOYSA-N 427.527 -0.007 50 20 IBGD COc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729274770 CLOLJFJVQZGYDI-JTQLQIEISA-N 442.523 -0.282 50 20 IBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)[C@H]1COc2ccccc2O1 730584630 YOTOYFAYGGWTSE-CQSZACIVSA-N 430.508 -0.465 50 20 IBGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nnc2n1CCC2 730933925 BHTYNMYFOFWRJS-CYBMUJFWSA-N 449.541 -0.057 50 20 IBGD Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 735028829 QXMAOKCJNZBIDC-UHFFFAOYSA-N 449.489 -0.667 50 20 IBGD COc1cccc([C@@H]2[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC(=O)N2C2CC2)c1 758056743 SOOJYFOIAUUHHH-XQAQDONZSA-N 438.506 -0.168 50 20 IBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)O1 760204863 UPSJESYZWIAWQU-ZFWWWQNUSA-N 439.494 -0.552 50 20 IBGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 764228198 VPPKJBCEZSPDCQ-JHJVBQTASA-N 441.510 -0.676 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764427055 XWPZASLJTCKQBD-CQSZACIVSA-N 440.478 -0.638 50 20 IBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 765408763 XTAPDXODONMVJD-UHFFFAOYSA-N 430.439 -0.568 50 20 IBGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1C(N)=O 789810219 LKFCSADCHHGIKE-ZFWWWQNUSA-N 427.417 -0.152 50 20 IBGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)CN1CCCC1=O 789857496 VKULKXVMQPTQAY-UHFFFAOYSA-N 433.284 -0.503 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)N(C)C)c2ccccc2c1=O 816829068 ZSZDDACXTVWJIY-UHFFFAOYSA-N 438.510 -0.256 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 914604472 BTTSWJFBHVCQNE-UHFFFAOYSA-N 448.413 -0.526 50 20 IBGD Cc1sc2ncn(CCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c2c1C 919888550 FVWJQIMRRXTPOT-LLVKDONJSA-N 427.508 -0.018 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1779296694 ZKLBCQYOPSMXNE-IBGZPJMESA-N 435.557 -0.079 50 20 IBGD Cn1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1782585725 DPPPXTWXUGEGMM-DENIHFKCSA-N 440.309 -0.530 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1791291169 OZKHQQSZLMBNRO-OBJOEFQTSA-N 437.457 -0.716 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(O)nn1)C2 1798443057 PBYCCPLTVJMGJM-CLLJXQQHSA-N 441.448 -0.489 50 20 IBGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n[nH]1 1798667824 DYVWMESLCAONAN-CCWDJLKJSA-N 426.282 -0.270 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799625626 BOMIJVIZTLEOGC-HBCWATKFSA-N 431.493 -0.638 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830205573 MVTNPOGJTGTNDL-ZYSHUDEJSA-N 444.536 -0.359 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1830533423 NHWKVXUEZPZSTR-CXAGYDPISA-N 449.346 -0.255 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834797495 OXCAEZSPNGUJDK-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928312 KCEDFACCPFZOSE-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)no3)CC2)CC1 1837919313 XIDNZBCZCUMVRQ-UHFFFAOYSA-N 443.265 -0.014 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838456290 SFLUNZMXSIIJSE-JOCHJYFZSA-N 447.536 -0.054 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839963509 MOEFUNXAGAJBTF-GDZNZVCISA-N 449.346 -0.791 50 20 IBGD Cn1nc(C(=O)NNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c2ccccc2c1=O 14346589 SHSPVJFIOQDUKP-UHFFFAOYSA-N 449.221 -0.993 50 20 IBGD CCN(CC)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 15834344 KHIZLEPVIDTBOC-UHFFFAOYSA-N 427.465 -0.259 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 726615060 XADWIPZIRUZTFY-YPMHNXCESA-N 432.886 -0.864 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCc3nc(C)nn3C2)cc1 727229015 KYFHUMGJYOECCZ-CQSZACIVSA-N 435.510 -0.139 50 20 IBGD CSC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 728373312 ZMCZVTBUXDURQN-FVCCEPFGSA-N 431.536 -0.525 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H](O)c1cccnc1 732257212 GJMBHHCWZXLLER-LJQANCHMSA-N 448.501 -0.084 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 760816285 VLUUJJGPQISKIB-UWVGGRQHSA-N 428.458 -0.036 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 764227421 NXEHTVMTDCOEEN-MRVPVSSYSA-N 426.373 -0.349 50 20 IBGD CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c2ccc(Cl)cc21 764426041 SHMHXAQHWVBTJO-ABAIWWIYSA-N 438.868 -0.189 50 20 IBGD Cc1cc(COCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)on1 800795447 JYRCUIFEYVFPCJ-UHFFFAOYSA-N 438.462 -0.018 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 914532647 MHTPIPUONFKBFT-CYBMUJFWSA-N 435.506 -0.143 50 20 IBGD Cn1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(F)(F)F)c1 1116573689 NDEJJRDVGDSOSS-UHFFFAOYSA-N 427.343 -0.748 50 20 IBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1ccccc1=O 1779265444 PPDBIMJERKNFJP-ZHRRBRCNSA-N 439.277 -0.767 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1787508998 WLVRTXILRWWVBB-HVEJOWRVSA-N 442.480 -0.458 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccco3)C[C@@H]21 1788611682 PYBSGNSSPGHYQJ-NUTKFTJISA-N 441.444 -0.246 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290932 FILSKDNBTPSZPF-HJWJTTGWSA-N 425.530 -0.794 50 20 IBGD CCOC(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)OCC 1791419167 UFDSUBCAAVWUCL-WDSOQIARSA-N 448.325 -0.251 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2)[C@H](O)CCl 1792979137 XEJRTAVEDKQXQK-QVHKTLOISA-N 442.925 -0.919 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793491409 YSNULFXXITYMRY-GPVAFHQSSA-N 441.448 -0.481 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794975891 VRGMWKMOQYDARN-OXIQGZBJSA-N 425.873 -0.917 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2)c1cccc(B(O)O)c1 1795736864 LVLLNEIYHHOWFA-FVCICTRLSA-N 445.668 -0.363 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc2nccn12 1795741436 XXGWIYOOCCMAQW-HGKCTWBKSA-N 449.276 -0.765 50 20 IBGD Cc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797749798 URGMWXNHVSBOJN-FVCICTRLSA-N 425.449 -0.699 50 20 IBGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797749799 UTFLJWTVKMYCHG-XOIINTDNSA-N 425.449 -0.699 50 20 IBGD CN1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798440471 LXYIREBTMYOLRI-MUJYYYPQSA-N 429.525 -0.816 50 20 IBGD Cc1ccn2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cnc2c1 1800081166 OSROWMGGKNGEPG-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369255 DDOCZWZBZOYCIF-LPHOPBHVSA-N 434.265 -0.477 50 20 IBGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n1 1810299481 QSRISIPYRWROFU-WMLDXEAASA-N 449.475 -0.158 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncnn2C)[C@@H]1c1cccnc1 1813070649 KHVXUICVFJJYFX-MAUKXSAKSA-N 428.497 -0.097 50 20 IBGD O=C1Cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc2N1 1830731587 MORAYBGQNSFADP-JXFKEZNVSA-N 437.880 -0.149 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833447060 YXCHEMLKHPLOIG-SCLBCKFNSA-N 430.889 -0.248 50 20 IBGD O=C(c1ccnnc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838375534 CUZUBGKQIOZVIH-IAQYHMDHSA-N 433.234 -0.057 50 20 IBGD O=C(c1cc(CO)on1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838805078 GOIJMPZGKDANEB-WFASDCNBSA-N 436.234 -0.073 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840152669 PLDPWGYKBPDNJK-MPGHIAIKSA-N 446.957 -0.277 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1840184296 YVUPTYGCAPJCKK-HXUWFJFHSA-N 427.546 -0.796 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)n1cnnn1 1840479233 QAOXXWSHJBWQOY-UHOFOFEASA-N 435.312 -0.073 50 20 IBGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 755255093 FVGHRVDMWASDFV-SPCAWNFKSA-N 426.429 -0.036 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 760443280 VCTLJXOGUDOVKV-UHFFFAOYSA-N 425.467 -0.213 50 20 IBGD CC[C@H](C)n1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C1CC1 760738157 XLNOZBMISQQBKC-NSHDSACASA-N 442.480 -0.060 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc(Br)c1F 764663667 QQZDEEWFEYQQHQ-JTQLQIEISA-N 448.201 -0.124 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(OC(F)(F)F)c2)n(C)c1=O 765727796 MYWFAHLAGYEGSY-UHFFFAOYSA-N 440.338 -0.207 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 770952794 PBXHNGNCMPVEIW-LBPRGKRZSA-N 449.489 -0.280 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786417595 SEUSVEWFSKUOBP-UHFFFAOYSA-N 437.457 -0.734 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 789950606 RYPBMBHVQGMLEZ-LJQANCHMSA-N 432.433 -0.166 50 20 IBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 795779234 JORUIHCGUNXUOO-IERDGZPVSA-N 445.428 -0.562 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)C(=O)NC(C)C)CC1 800723476 KZGNROAIQRTAEF-UHFFFAOYSA-N 439.900 -0.222 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783260632 TXEJDHSVHYDBPX-DLBZAZTESA-N 426.341 -0.661 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1783933378 IXLUZLHVHXHXFB-NQIIRXRSSA-N 439.557 -0.260 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1783935477 UJOFIXJUBVIEGV-OAQYLSRUSA-N 447.492 -0.331 50 20 IBGD Nc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cs1 1786984310 BUDSCBWHNBMWFU-NOLJZWGESA-N 430.295 -0.688 50 20 IBGD CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)CC1 1788191405 GCFAICMARSOLMG-JYJNAYRXSA-N 431.375 -0.002 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccn2cncc2c1 1788406485 KWNNWLHOIURQCP-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056014 LXPWGAUBFNJVMC-NZNQWUEYSA-N 434.331 -0.099 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)C(Cl)Cl 1791294210 JYCVMPHPGZSEGT-QXEWZRGKSA-N 429.264 -0.185 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N 1795534165 KVCFVQIUWVURRY-OPDFLTKYSA-N 446.936 -0.809 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732778 ITBDCTZSHHCRND-CCWDJLKJSA-N 432.282 -0.699 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2nc[nH]c12 1796142524 FPGOIYWUTKVIFR-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800756987 SKLGNISGILNDDB-GUDRVLHUSA-N 428.220 -0.916 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373428 RWSMCUDMHOWPNQ-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD O=C(Cn1cccn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354596 KZOJOKACLCFJLC-CQSZACIVSA-N 425.279 -0.055 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822988164 MCZQDMRKLDDORJ-SNVBAGLBSA-N 434.478 -0.624 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1 1826532598 DJRSERWHXHZNAM-RBUKOAKNSA-N 427.310 -0.122 50 20 IBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1834208768 RYSYDSIOCIOVRJ-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n[nH]1 1834801145 NLFMUDAJRLSMSG-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834932115 ZTCQMQPGGXUANM-UHFFFAOYSA-N 440.313 -0.708 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216393 RTWAOZDWTSRMLE-GDZNZVCISA-N 432.315 -0.153 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2)NC(=O)NCc1ccccc1 1845038749 OBJLKWXELZYJLS-UHFFFAOYSA-N 440.508 -0.172 50 20 IBGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)CNC(=O)c1ccco1 746196773 LNLMCQTYPZAEDI-UHFFFAOYSA-N 431.449 -0.226 50 20 IBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1OC 763550452 NJVHXJXWPYNJTM-UHFFFAOYSA-N 440.416 -0.012 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 764226064 FBXUOINOQQGJOI-SNVBAGLBSA-N 440.507 -0.405 50 20 IBGD CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)n1 764370055 MKOCIBJLLJQDOZ-UHFFFAOYSA-N 425.352 -0.876 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)CO)c1 764422556 WMMAGKHJLJCCOD-UHFFFAOYSA-N 430.483 -0.418 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764427054 XWPZASLJTCKQBD-AWEZNQCLSA-N 440.478 -0.638 50 20 IBGD COc1cccc(SCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765727651 LYFRYOIOSNKXME-UHFFFAOYSA-N 432.462 -0.618 50 20 IBGD CCn1nccc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 775876659 LNIBUQZQBHPLAE-UHFFFAOYSA-N 434.522 -0.021 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 806978318 WIVXMBSCWRYERT-MRVPVSSYSA-N 429.455 -0.027 50 20 IBGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 813495422 AFSJSXDVOXXCTL-CYBMUJFWSA-N 427.469 -0.699 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1C 817055330 XALSEJLCXXXVKN-UHFFFAOYSA-N 430.512 -0.600 50 20 IBGD O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)[C@@H]1CCS(=O)(=O)C1 913181228 KJYMSJVWNOGHDB-KWCYVHTRSA-N 429.495 -0.450 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1783935334 QIIDZDLALQEJBI-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788510555 JVACZCUQSRJTCU-RXWYWUIXSA-N 441.337 -0.700 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793611198 MJIBUIOBIUBWDG-KOFHJDLBSA-N 442.310 -0.078 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2ccccc2[nH]1 1796821004 UZQMUCBIFDEZPI-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD Cc1cccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c12 1800105240 HFAHJVJBWRPUIK-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD C[C@H](CN)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807015044 JSTGGNRVBUQGBH-DDUZABMNSA-N 425.493 -0.006 50 20 IBGD CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812662271 ADRHCJXSXXQJON-UTKZUKDTSA-N 432.525 -0.013 50 20 IBGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831876200 HNLOTZPWMHPCGO-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc(B(O)O)cc1 1834798190 ZZJYFKCGRBRGKF-SFHVURJKSA-N 437.733 -0.849 50 20 IBGD O=C(c1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937961 CKNBCEIDGBYPAB-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836966593 FMFCKKFGESYJEZ-RDTXWAMCSA-N 428.873 -0.665 50 20 IBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)C(=O)C(=O)O 1839700820 COUDBCCQNDKFEP-GOSISDBHSA-N 433.889 -0.749 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840187077 JNTUHQKLMWXZSW-UZLBHIALSA-N 426.514 -0.758 50 20 IBGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)no1 725873436 YJWBWWZETRRBHI-UHFFFAOYSA-N 449.493 -0.229 50 20 IBGD CCN1CCN(CC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)C(=O)C1=O 734250999 SUNDTOOMXWTJKO-UHFFFAOYSA-N 425.511 -0.103 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 756708336 SIQCXSOYFHIMGD-ZETCQYMHSA-N 427.892 -0.198 50 20 IBGD CNC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760148315 XKBWFJNEHFFIAB-VIFPVBQESA-N 425.389 -0.422 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 762361541 PDGCCUQZNKQEBH-CHWSQXEVSA-N 441.531 -0.030 50 20 IBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc21 763818356 IUGWIIHCLYUTPC-UHFFFAOYSA-N 438.444 -0.702 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CCN2CCCC2)c1 764231718 PEWKZDMGYLQPLY-CYBMUJFWSA-N 425.511 -0.652 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCOc3cc4c(cc32)OCO4)n(C)c1=O 764815467 DFLFXXTVSPLHLD-UHFFFAOYSA-N 426.389 -0.535 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766663727 MQLOCJUUEXGUDZ-ZDUSSCGKSA-N 431.946 -0.457 50 20 IBGD C=Cn1cc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2cnn(C=C)c2)N2CCOCC2)cn1 773058665 NUHFKVKNWGDQLE-SFHVURJKSA-N 439.480 -0.028 50 20 IBGD C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 790679228 WZELBJLTCITWRD-YWZLYKJASA-N 431.401 -0.870 50 20 IBGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 792969895 DSSKQKCHIQAJTG-JLTOFOAXSA-N 446.464 -0.036 50 20 IBGD CN1CCN(C(=O)NNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 807382755 OEXFZQAXQJTLFN-UHFFFAOYSA-N 434.522 -0.164 50 20 IBGD CN(C)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 906307622 KDIVMACCPDFGCH-UHFFFAOYSA-N 445.501 -0.052 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)c2ccccc2c1=O 915190536 BZWIMVRFWZBZRR-UHFFFAOYSA-N 436.494 -0.346 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1778801804 KFQQRGYLBNVANV-QUCCMNQESA-N 426.514 -0.223 50 20 IBGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779029081 LHKPTLWMRSJNCV-NRFANRHFSA-N 440.460 -0.154 50 20 IBGD Cc1nnsc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030267 NCBBMHXUDLCTAS-GOSISDBHSA-N 431.478 -0.398 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1783937873 YHJINPFVIOFMHM-GCJKJVERSA-N 432.521 -0.207 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784609510 QTCPJAZZDLCCGY-NRFANRHFSA-N 425.250 -0.969 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2cncn2c1 1788426774 IGTWMAVIOIVDOK-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791625900 REUGLBLVVMRFIT-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1F 1795738801 GODIDDBAQUVPMT-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797367615 WRSCLGNDADCDLC-ZSBFGKGUSA-N 429.481 -0.695 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)N1CCN(C)CC1 1799185724 NLZZCXZCJGHDPA-RMEBNNNOSA-N 435.338 -0.098 50 20 IBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799348836 BPSXOOJUTLDLGX-RBLKWDMZSA-N 425.324 -0.250 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800220423 GQGZVMNWFHJHIN-BOLBYERCSA-N 431.342 -0.453 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1800975045 IUOQGDYNPJYAOE-QXMWZZNTSA-N 432.930 -0.368 50 20 IBGD CN(C)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806461103 XSEWPMHCEIQCLW-DNVCBOLYSA-N 425.493 -0.039 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815771097 NKYFOADPVCTYJP-OLZOCXBDSA-N 448.484 -0.627 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831323336 JFGWHHBLZDMUQI-JMSVASOKSA-N 429.898 -0.695 50 20 IBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1832762818 IRUXQBDZHZZLMQ-BEFAXECRSA-N 427.885 -0.311 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833651668 RUSVPXJIQLCZKV-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD O=C(Cn1ccccc1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835998102 NVABRYGLASWWHZ-DOTOQJQBSA-N 446.273 -0.005 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840149095 DPXNRCIXLXAIAV-NEPGBVGISA-N 429.901 -0.445 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCN1CCN(C)CC1)C2 1843415792 NJMFOWHCWIXRKE-JJIBRWJFSA-N 443.552 -0.039 50 20 IBGD COc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OCC(N)=O 732259554 HHPDNEGMBJHSMK-CHWSQXEVSA-N 438.481 -0.172 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764423855 DCIXDRBMEWJHHC-IRXDYDNUSA-N 446.460 -0.644 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCC(N)=O)CC2)cc1 787442284 WUWCTHPAGDFWEM-UHFFFAOYSA-N 425.511 -0.896 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 1116075856 GZEQBEPCMXUVAO-INIZCTEOSA-N 439.538 -0.559 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 1322061698 ZKPRGJQWHRYZSM-UHFFFAOYSA-N 431.540 -0.253 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783883831 LVWWSDPFIPPAGO-ACJLOTCBSA-N 428.873 -0.659 50 20 IBGD CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786376235 RIKSVFPHXRFKCB-QVXKWDKBSA-N 445.476 -0.602 50 20 IBGD Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610837 XPDSJKKDMYMSTD-CQDKDKBSSA-N 443.464 -0.529 50 20 IBGD O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1790583483 FDXMZXBLLMHKQR-JUFZMCDQSA-N 431.262 -0.087 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790601411 DDCSQQXYTGPARZ-LGYWMIHWSA-N 445.369 -0.062 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288063 SLPPPLMAHJDJAU-VGWMRTNUSA-N 446.570 -0.980 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978696 MSASVVWWPBAPAA-YMSVYLFOSA-N 449.932 -0.549 50 20 IBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1796565476 NXUBQPZMGPTCOK-CCWDJLKJSA-N 447.492 -0.556 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800756989 SKLGNISGILNDDB-MWGHHZFTSA-N 428.220 -0.916 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812648497 NPIRKQLDTXZHBX-WNYOCNMUSA-N 438.293 -0.394 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830296908 OMIANGFKDUNGFL-CKFHNAJUSA-N 449.932 -0.044 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830538215 YKQLWXASRCCCBW-MAUKXSAKSA-N 448.358 -0.194 50 20 IBGD Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933707 ANIIZQGGNVOPRG-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1836371002 HKAVWQBIMOJAOW-QFBILLFUSA-N 444.020 -0.206 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838474609 JWSAFBBFIIZZEO-ACJLOTCBSA-N 427.841 -0.520 50 20 IBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839273705 KSLZNLOZEPABNJ-YJBOKZPZSA-N 443.840 -0.030 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840152175 AKKBUNIEGUSHIP-BDJLRTHQSA-N 431.833 -0.358 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185098 IOCJZVBXCURPSD-OXJNMPFZSA-N 427.546 -0.844 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448860 OIARAGWKVHJGBB-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cnnn1 1840477913 UOUAZXCUWHUQOX-PBHICJAKSA-N 426.550 -0.458 50 20 IBGD CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725871008 AKUSCSFUUZQSTB-UHFFFAOYSA-N 446.555 -0.577 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@H](C)O1 754417540 PKALWWOXXGWNJV-BETUJISGSA-N 426.495 -0.794 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 764425008 MCFWCUKXIFVJMN-LBPRGKRZSA-N 428.327 -0.213 50 20 IBGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764428422 HRRIPWCQYXGKDY-HNNXBMFYSA-N 442.494 -0.392 50 20 IBGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n1 764434868 SGUIQSXNQOPOAC-HNNXBMFYSA-N 431.405 -0.450 50 20 IBGD C[C@H](Cc1ccccc1)NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 786082485 MESBYZQMXDJYKV-GFCCVEGCSA-N 429.506 -0.440 50 20 IBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1OCCc2sccc21 815827116 MSJZSJNJCDALOX-BONVTDFDSA-N 446.489 -0.407 50 20 IBGD COc1cccc(/C=C(\C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 920744772 FEMRJSXOZGUFDO-GULXKOIASA-N 435.466 -0.494 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1323905942 RHTCGELLLGQFLO-LBPRGKRZSA-N 446.555 -0.405 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)c1cc(=O)n2[nH]nnc2n1 1777823336 DPFODIWRZOGDIM-QLJPJBMISA-N 444.279 -0.256 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778656908 QREYNJQDWMDPEB-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753258 GTMKMCYQAWOUON-ZBEGNZNMSA-N 434.287 -0.467 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(O)cn1 1786274110 QYHFYLNNKLKMNG-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788656339 PZWGKIIVIULGPN-GLRLOKQVSA-N 448.358 -0.210 50 20 IBGD CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)CC2)CC1 1789804637 KUBJAVAFNXHHON-NXOAAHMSSA-N 428.961 -0.654 50 20 IBGD Cc1cccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1792469592 MWSWSJRJAWUPCM-ARXNKUIWSA-N 435.289 -0.014 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978343 RTLLTLXTBWGPPL-HNZVXPEQSA-N 425.873 -0.690 50 20 IBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)o1 1797749873 YBOWKFRUOCNOQT-HBCWATKFSA-N 435.481 -0.186 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798472951 SHQUCXSNJDIVLA-FCGDIQPGSA-N 446.265 -0.887 50 20 IBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1812640426 FAAMAEQONZIOLG-ZWOKBUDYSA-N 436.277 -0.783 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814226517 QUHOTFRBVNXBRR-CXAGYDPISA-N 440.464 -0.932 50 20 IBGD Cc1nc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815337787 WOAUMHRDGQWJAR-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cncn1 1815347758 NOBDWSQEKYEJPJ-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733802 TZJOIYUJBUOWDJ-CRAIPNDOSA-N 443.840 -0.030 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831597906 MXZBWXCKIAQZLK-PBFPGSCMSA-N 434.331 -0.015 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833651667 RUSVPXJIQLCZKV-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834705100 XLWDBIQZSNACAD-INIZCTEOSA-N 428.965 -0.348 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1)[C@@H](F)Cl 1835079828 VKAYXIMZNKYZQN-CQSZACIVSA-N 440.867 -0.468 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835194285 MCQWTENFKBYYIV-HXUWFJFHSA-N 426.514 -0.758 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930662 SXMACKCQYSIGMT-HRAATJIYSA-N 434.298 -0.750 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ncon3)CC2)CC1 1836045860 IHPYPRISVSRUQM-UHFFFAOYSA-N 442.480 -0.433 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203307 HVMFSAAWQWMRAN-GXTWGEPZSA-N 445.307 -0.432 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnn3c2OCCC3)C1 1845612835 AJPQDUQJLFDQGL-UHFFFAOYSA-N 425.449 -0.205 50 20 IBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846340253 IJQLQKVZSJZCRV-MSOLQXFVSA-N 426.278 -0.061 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 759284301 ZQNQJDIKLSBQLJ-AWEZNQCLSA-N 428.511 -0.423 50 20 IBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1S(=O)(=O)NC1CC1 763819669 DYPOVHQFAVFZHM-UHFFFAOYSA-N 447.473 -0.278 50 20 IBGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764274650 AADAFMCHWGVMHC-UHFFFAOYSA-N 436.446 -0.394 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 764325385 MTDUZSKWNBOYFU-STZFKDTASA-N 425.467 -0.378 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCNS(=O)(=O)c1cccnc1 773004948 KYMIWMLIHOSJDR-UHFFFAOYSA-N 426.480 -0.818 50 20 IBGD CC(C)(C)OC(=O)N1CCC(OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 777239160 ISXUURMXGVPDSN-GFCCVEGCSA-N 434.515 -0.080 50 20 IBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 782966737 PDBJXCRCRXOSFX-UHFFFAOYSA-N 427.345 -0.018 50 20 IBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 789858373 XBUHVGPGLFXGDX-ZDUSSCGKSA-N 426.470 -0.004 50 20 IBGD Cn1c(=O)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2ccccc21 1777886374 BMRWWRVBFCLPQL-FOIQADDNSA-N 434.880 -0.023 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778395477 VVUUZJQQDVAKJN-QFIPXVFZSA-N 443.504 -0.002 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21)[C@@H](F)Br 1789921233 CXGKTNAQHXOXTM-AVWBDOJWSA-N 435.250 -0.792 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21 1791290876 BGIDKXDCPGDZLF-JQFCIGGWSA-N 443.508 -0.076 50 20 IBGD Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1794493858 NEKQMVLUJXWTBK-XOIINTDNSA-N 430.245 -0.936 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2)c1ccc(B(O)O)cc1 1795734552 RPZZRZPPQDQREV-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c2cccnc21 1795734737 XRPISASAFWXHNF-CWPLJXCYSA-N 448.288 -0.230 50 20 IBGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800981544 PAPAGBZVAWRRCI-DFGXFYAUSA-N 436.933 -0.101 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1813031022 IYAAMTJPXRRDGL-LSTDLKDCSA-N 440.928 -0.008 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1826004789 QVEJRRFSYQBKSD-RYUDHWBXSA-N 434.946 -0.405 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196279 YHPSTRAPHODKOI-SFHVURJKSA-N 426.286 -0.714 50 20 IBGD N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1cccnc1 1835823969 FYBXRWWHKUKDBE-JTDSTZFVSA-N 426.901 -0.472 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185346 OOOHUBMKZCIPLS-SUMWQHHRSA-N 449.346 -0.401 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16592669 RRKDXCWCDPFXFU-UHFFFAOYSA-N 428.449 -0.387 50 20 IBGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)c1cnn[nH]1 729456462 NDJGRJOVTMYPBO-UHFFFAOYSA-N 449.449 -0.652 50 20 IBGD CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730948049 VUZCHAXXSZYMNR-UHFFFAOYSA-N 444.473 -0.251 50 20 IBGD O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCCC1 748360143 HILZUGQMIJDRGN-UHFFFAOYSA-N 428.442 -0.770 50 20 IBGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 755088889 YEIZGYFCROCZRH-DARAHFNDSA-N 436.432 -0.587 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 763570075 CUMHDVCNPYHRGP-SJORKVTESA-N 440.412 -0.486 50 20 IBGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CNC(=O)c1cccs1 765384417 XJLAHCDYRXBLAO-LLVKDONJSA-N 435.487 -0.136 50 20 IBGD COc1ccccc1[C@@H](C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765726106 YBCHWJGXXQXFFI-LBPRGKRZSA-N 428.449 -0.217 50 20 IBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)CN1CCCS1(=O)=O 765751044 HNEHIIFFZDCDNC-UHFFFAOYSA-N 443.957 -0.360 50 20 IBGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 793022105 PDBDRHFYAFPVTQ-UHFFFAOYSA-N 445.407 -0.452 50 20 IBGD CCc1ccccc1OCCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802762520 IMKZOTGMHSROOA-UHFFFAOYSA-N 428.449 -0.387 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816886104 PLTUNAGHVOJHGS-STQMWFEESA-N 435.485 -0.496 50 20 IBGD O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)NNC(=O)c1cccc(Cl)c1 844199445 DBLWJUAWWFWVOT-UHFFFAOYSA-N 439.837 -0.386 50 20 IBGD CCCCNC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 920823092 OAWKWDLRCKBVOZ-CQSZACIVSA-N 434.540 -0.101 50 20 IBGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779029274 UXUNLSMHRADLSM-HXUWFJFHSA-N 443.464 -0.504 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779294352 PFNYMJDCURXVPL-YOEHRIQHSA-N 435.619 -0.004 50 20 IBGD O=C(CCc1ncc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782402823 XDGSKYDSANFCEV-XMSQKQJNSA-N 440.309 -0.150 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1782801676 RCMKTOLXIYOPKZ-KHMJWOOKSA-N 443.504 -0.295 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1791257531 LQCKJHPFFLQIBI-FQUUOJAGSA-N 428.873 -0.206 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(C2CC2)on1 1792705519 LVWCGXUGLQCKMK-CCWDJLKJSA-N 425.250 -0.251 50 20 IBGD O=C(CCc1ccc(F)nc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794018561 IFMHTXOQKRHNPS-UPHUGPLXSA-N 441.268 -0.264 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnn(C)c1)C2 1796445473 BNDJNDFFSZMPJZ-HGQKDGAKSA-N 441.492 -0.314 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)Cc1cscn1 1796745821 ROAKWUHDTGLMGU-SYEQVDHESA-N 443.533 -0.037 50 20 IBGD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799684616 JDARCPKEMHUPQH-LHHWKKGWSA-N 425.869 -0.054 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810088996 VFVZSHGIWURJJH-RZLSGREXSA-N 428.873 -0.248 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NNC(=O)C2)n[nH]1 1819341400 GGNCYQIJXXMSDC-AWEZNQCLSA-N 439.436 -0.410 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200947 DARWLBUDJZSOFO-AWEZNQCLSA-N 425.405 -0.198 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822374960 AGICRTFCKWSDAL-UKRRQHHQSA-N 431.921 -0.058 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478511 NSRBRSMWZRQUKZ-UGSOOPFHSA-N 429.857 -0.591 50 20 IBGD Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834042614 FAYZQHTUUULTGN-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc(B(O)O)cc1 1834798189 ZZJYFKCGRBRGKF-GOSISDBHSA-N 437.733 -0.849 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799995 MWYWGNHKOAMDLN-HNNXBMFYSA-N 444.341 -0.937 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1835928655 UIVRFNIRTNTYHM-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C(CC1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929526 UGUCLSLLTQLWMD-JOCHJYFZSA-N 446.309 -0.747 50 20 IBGD N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835934421 RYGNSYBNFAQHAM-OAQYLSRUSA-N 427.266 -0.870 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1835939549 SGHNVNMSWMUIBG-JTSKRJEESA-N 428.294 -0.207 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456484 NHAZKMAMWVEOLZ-LFRPXUGBSA-N 449.508 -0.838 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198280 BVRPIUNHFHGTAP-GXTWGEPZSA-N 445.307 -0.432 50 20 IBGD O=C(Cn1ccncc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839665016 XCHJAECVCMNTIJ-ZBFHGGJFSA-N 447.261 -0.610 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840181572 DHABDWZZKYFGHX-HOTGVXAUSA-N 427.281 -0.138 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 729276615 ISSJCYXPLRXUOO-LLVKDONJSA-N 432.524 -0.394 50 20 IBGD O=C(COc1ccccc1CNC(=O)NNC(=O)C(=O)N1CCCC1)NC[C@H]1CCCO1 748463141 YGCPNGLODKWDIT-MRXNPFEDSA-N 447.492 -0.187 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CC(=O)N(C4CC4)C3)nc2)CC1 750653500 VGMWZTPWKOTHCK-ZDUSSCGKSA-N 437.526 -0.593 50 20 IBGD Cn1cccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1=O 763530184 FGCVDKXJJWISDZ-UHFFFAOYSA-N 426.477 -0.317 50 20 IBGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002256 KTCSGAXLNAWFDG-CQSZACIVSA-N 440.522 -0.072 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 764227717 QTMIPSSFJGYLRD-SECBINFHSA-N 428.858 -0.451 50 20 IBGD CC(C)C(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 769087529 UOTIJWGCCLBUFF-LBPRGKRZSA-N 428.467 -0.826 50 20 IBGD CN1CCN(CCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1(C)C 799354044 ZGCMRSYOOADUFJ-UHFFFAOYSA-N 425.559 -0.050 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 799857223 RCKWTVBBLKJXMB-RYUDHWBXSA-N 446.555 -0.358 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)c1 916107917 RPNZYIZZKQPNRO-UHFFFAOYSA-N 446.551 -0.792 50 20 IBGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc2c1=O 933433142 CCVZJBYWIAZLTD-SYWGBEHUSA-N 435.440 -0.016 50 20 IBGD O=C1Cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc2N1 1778390324 XIBVLYPEQWUAGM-HSZRJFAPSA-N 449.272 -0.382 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)C(Cl)Cl 1782215123 JMUXKIQTJIOQJE-QLJPJBMISA-N 444.279 -0.256 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ncc(F)cc1F 1784766687 XHBXNWSXBVDVLU-OWQGQXMQSA-N 445.231 -0.053 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785442450 DIEJORUXHLPCKS-RXVVDRJESA-N 431.298 -0.885 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981989 KOBJKZCQXBUZRM-SZMVWBNQSA-N 446.309 -0.451 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cccnc4n3)[C@H]2C1 1788313325 XZUBJNBLTPMZLV-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccnc3)C[C@@H]21 1788610581 ZWVQXPSIGGDFCP-SNRMKQJTSA-N 438.488 -0.084 50 20 IBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(Cl)CCl)[C@H]2C1)C(=O)C(=O)O 1789872119 PJDCFDMVBBOENV-GUUCOKDPSA-N 438.308 -0.255 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1791251263 CRWZATJJIOMDRA-QCQGSNGOSA-N 439.900 -0.526 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978691 MSASVVWWPBAPAA-JTTNIQEDSA-N 449.932 -0.549 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc(O)n1 1795738854 JCTHVYPBOYVXHX-HGKCTWBKSA-N 425.250 -0.708 50 20 IBGD C[C@@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)n[nH]c21 1796971074 VMWKEVNVWYDDNS-NFWAQSGPSA-N 438.293 -0.344 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1797750450 FTALZOFJJURJCU-CCWDJLKJSA-N 439.476 -0.689 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1C 1800276381 ASGNLCDMHLPKMO-HGQKDGAKSA-N 441.492 -0.085 50 20 IBGD COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1C 1801009489 LSHZTMBAQGCKSM-HGKCTWBKSA-N 433.509 -0.025 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801363265 MURMVPUWKJCUGM-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD CN1N=C(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CCC1=O 1809969321 PXPLHNFOQNFCHE-UHFFFAOYSA-N 440.309 -0.181 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813070389 GTOPGAPTBLRFAU-JXXFODFXSA-N 430.509 -0.261 50 20 IBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813267978 DZWHNNKYIKZTLP-DNVCBOLYSA-N 434.497 -0.184 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335666 JGQWQTMHDMKEQP-LSDHHAIUSA-N 444.322 -0.037 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830560296 ZQIMZTYCHFODFO-VGSWGCGISA-N 428.294 -0.207 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832668197 QSQZVRNAEUFJNE-FQEVSTJZSA-N 436.465 -0.708 50 20 IBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1833016346 ALCJLFAGGOSLPO-GUYCJALGSA-N 432.930 -0.165 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838835477 YKFMTKPWJXIQJB-ACJLOTCBSA-N 430.889 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840152177 AKKBUNIEGUSHIP-MEDUHNTESA-N 431.833 -0.358 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840184149 ADVZHNNYOIICGK-OAQYLSRUSA-N 448.524 -0.728 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c(=O)nc1O 1840807783 YWDZPBVQIMOSEE-SUMWQHHRSA-N 432.836 -0.752 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2nnc3ccccc3c2=O)n1 753841703 CFTQHHKSMZIIOS-UHFFFAOYSA-N 430.446 -0.120 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCN(S(=O)(=O)CBr)CC1 758512033 GPBOIVWYJPWZOA-IMIFBBOLSA-N 446.323 -0.380 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1C 764432700 JKQFJBXTTQJEDK-CQSZACIVSA-N 442.494 -0.473 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC3CCC3)cc2)n(C)c1=O 765729054 UPUJMVHENWYAEQ-UHFFFAOYSA-N 426.433 -0.174 50 20 IBGD COC(=O)c1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 779642301 PRSJHDUUKWZCSC-UHFFFAOYSA-N 449.445 -0.641 50 20 IBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 784915982 SRQUNKPMYIRROM-UHFFFAOYSA-N 431.446 -0.522 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2CC(c3ccc(F)cc3)C2)n(C)c1=O 794391416 BXQKSXWXJNJSDA-UHFFFAOYSA-N 428.424 -0.086 50 20 IBGD Cn1cc([C@@H]2[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 797710922 ARQQZVIEBQHXGX-UMVBOHGHSA-N 440.526 -0.374 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779037310 VLFKYKXXQYCYPI-BLLLJJGKSA-N 444.261 -0.181 50 20 IBGD O=C(c1cc(=O)nc2sccn12)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779947908 SWZYLOZFTZQPLR-SJKOYZFVSA-N 426.882 -0.201 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783354507 BWZMIIPBBXLWKD-BDJLRTHQSA-N 434.287 -0.467 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ncc(F)cc1F 1784766553 LVQZWBZZRJNAIA-OWQGQXMQSA-N 445.231 -0.053 50 20 IBGD CCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1786168021 TVWDMBCEBHPJLW-IEZWGBDMSA-N 426.282 -0.510 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791330 VMICMTPTFATKHG-JUFZMCDQSA-N 446.268 -0.073 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791809249 POWWJYHUDQOLSK-VMXMFDLUSA-N 443.353 -0.168 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cn1)C2 1797749741 MMQUDNHEDNHWPI-QHBPRCKVSA-N 445.867 -0.355 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801369522 UYLAFVBAXCSDHF-MFCZKXCZSA-N 433.509 -0.189 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817615247 RBSACQZWNIFDQI-CQSZACIVSA-N 439.440 -0.599 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817812775 KQWUASHBZOZNCV-QWRGUYRKSA-N 435.832 -0.559 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831335932 UHHLPUHWXKFFSX-OAHLLOKOSA-N 441.344 -0.338 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cocn3)CC2)CC1)c1cccc(B(O)O)c1 1834801049 KKLGXMDEXVGRQO-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835642342 KRBCLQJAWBVKTE-GDBMZVCRSA-N 434.921 -0.778 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930231 DHAYVGPQGZPIQV-GTCCEBARSA-N 430.310 -0.127 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1ccnn1 1839202772 PBPJLMASOKFGQV-LALPHHSUSA-N 434.266 -0.014 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 104669289 ORYYRIXFGCWTFM-AWEZNQCLSA-N 436.490 -0.005 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)(C)C 728382462 ZLPZMSNPGNKLDT-LBPRGKRZSA-N 447.535 -0.032 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2C(=O)CCC2=O)c1 730068557 RZBPVLTZSGGVHX-UHFFFAOYSA-N 425.467 -0.580 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 735584838 ZXEBHHAPEJZCEA-UHFFFAOYSA-N 437.522 -0.066 50 20 IBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 758361729 LTRDFXZCWWHIAL-UHFFFAOYSA-N 427.421 -0.209 50 20 IBGD COc1ncncc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763732217 DXVVREORNCKVSH-UHFFFAOYSA-N 436.450 -0.800 50 20 IBGD Cc1c(Br)cccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765727622 LJCMUEMQYFZRDG-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD Cc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nn1C 784229140 BZNNOYCXGQEXPV-UHFFFAOYSA-N 435.510 -0.254 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 786356121 AKSUNWACYDIMJN-DTTOXWODSA-N 440.412 -0.585 50 20 IBGD C=CCNC(=S)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 798306248 BVXYDHMQTIIQPR-AWEZNQCLSA-N 427.552 -0.103 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3ccccc3=O)CC2)cc1 916739557 NLNRXMKZLLQMMW-UHFFFAOYSA-N 447.517 -0.689 50 20 IBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 918548365 ATBVXDIDFSEVLX-GFCCVEGCSA-N 431.540 -0.198 50 20 IBGD Cn1nc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccccc2c1=O 921235892 PRFXYDZKAPFGPK-UHFFFAOYSA-N 428.430 -0.808 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1251649043 CPJVURBGQQUBIA-UHFFFAOYSA-N 431.478 -0.064 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029596 VENJDCGUYPVOCN-NRFANRHFSA-N 447.492 -0.140 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779095583 IXTINTAAHZXMRE-JLJPHGGASA-N 434.331 -0.360 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781337603 TVEXTBPIVJLUBE-NJSLBKSFSA-N 449.932 -0.308 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782711333 FETSWUODCWQATD-IFXJQAMLSA-N 428.486 -0.249 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784372569 WQJDWQJIZURHCS-VGWMRTNUSA-N 425.530 -0.746 50 20 IBGD CC(C)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(C)C 1786980024 ZPSVROIFQNUFNX-VMXMFDLUSA-N 445.369 -0.018 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1ccnn1 1790640715 RBRFIAMIWNRCEM-PYTWLRIVSA-N 442.480 -0.869 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277487 JFBAEQQZRKILAF-CLLJXQQHSA-N 442.436 -0.258 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)cco1 1795000352 CKSRBXSOECOPQL-DPIQGUFMSA-N 427.417 -0.845 50 20 IBGD CN1CCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)ccc21 1795734231 KBAANHVODYQEQK-HATOLVCRSA-N 449.316 -0.124 50 20 IBGD Cc1ncc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795737042 WIPLZBJKDMTROX-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD COc1cscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796680990 MGXZWSZEUWCNRE-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cn2[nH]cnc(=O)c12 1799149914 OMHWNADQPWLUBK-BJWYYQGGSA-N 449.276 -0.424 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657121 JIZCRLHBYSRQNJ-TZMRYXNNSA-N 435.289 -0.027 50 20 IBGD O=C(Cn1cncn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354657 PBFISBZMIVSCOH-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051078 MVHLYTFYCWGBBS-MOPGFXCFSA-N 444.341 -0.808 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829913769 ABWFXGHEGJGUTC-NQIIRXRSSA-N 432.282 -0.995 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215448 NQZGYBLUJNMWBX-ZHNJOBQTSA-N 441.488 -0.010 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834820362 ZWUSOQUPMCWMSD-CXAGYDPISA-N 432.315 -0.246 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 1834952160 XUTRSFLPVDTCRM-UHFFFAOYSA-N 441.496 -0.698 50 20 IBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1835931361 OMCKGHXISSNYJF-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839654646 BOVVQWVTBLYHSZ-GOSISDBHSA-N 446.646 -0.222 50 20 IBGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)Cc2nc(C)cs2)C1 726184030 IVPZMJCYJXFDID-CQSZACIVSA-N 439.538 -0.125 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 728510015 TULHISJJOUYJKO-LURJTMIESA-N 444.285 -0.606 50 20 IBGD NC(=O)Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 742467939 MWTVDHCDAQISJQ-UHFFFAOYSA-N 435.466 -0.987 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746813329 NNLCOQULRMHMBY-GFCCVEGCSA-N 433.508 -0.851 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 756498370 VHMWTTGSYOQFPA-VIFPVBQESA-N 437.475 -0.544 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 756840544 WOUMDNKKVVVAQA-XQQFMLRXSA-N 442.498 -0.894 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 760814215 YVPSFQZZXINQGC-STQMWFEESA-N 446.526 -0.526 50 20 IBGD COc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729839 HURSDZBELDRQHI-UHFFFAOYSA-N 442.432 -0.747 50 20 IBGD Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 782284968 HQMLJPUKODEZMC-INIZCTEOSA-N 431.401 -0.217 50 20 IBGD Cc1c(Br)ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1F 789735028 JHKPBLFPYZYRJK-SSDOTTSWSA-N 439.263 -0.080 50 20 IBGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 792851538 XSMOLLJWSJNBHN-ZDUSSCGKSA-N 434.496 -0.245 50 20 IBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 800832061 KFRFUMYPYOEWPV-AWEZNQCLSA-N 449.551 -0.374 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc([Si](C)(C)C)cc2)n(C)c1=O 810592571 NUVJIQZIGZTACV-UHFFFAOYSA-N 442.552 -0.631 50 20 IBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)CC1 815778906 JQRPLYSYHHDRET-MRXNPFEDSA-N 433.465 -0.754 50 20 IBGD O=C(CN1C(=O)COc2cc(Br)ccc21)NNC(=O)[C@H]1CCS(=O)(=O)C1 915282411 CZLJVMCPZLVULL-VIFPVBQESA-N 446.279 -0.243 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931477 KAVBHUTWTXIAAA-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1778859427 LYIGJEDDYRBPQG-TWJGEFDFSA-N 442.520 -0.531 50 20 IBGD CCN(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781452603 PPQSDGFHQFUOHY-DKZVUGQWSA-N 431.342 -0.166 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744940 IMELOZWJOGBPFV-ZBEGNZNMSA-N 434.287 -0.610 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc2nccn12 1783936042 BGRVHZGBPDBRLN-NRFANRHFSA-N 443.508 -0.146 50 20 IBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1794281049 PWIVHBHLHYVPCA-YVWYUNDQSA-N 446.508 -0.384 50 20 IBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1F 1794353858 RIGLZXDECADBDI-CCWDJLKJSA-N 427.241 -0.274 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(Cl)n1)C2)c1ccc(B(O)O)cc1 1795732528 QVENZUUYSKQAJT-YVWYUNDQSA-N 443.696 -0.139 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012366 VTIIIKWUAWUKPS-MFCZKXCZSA-N 433.509 -0.189 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367202 JUYWGZKBUSPNAR-TZMRYXNNSA-N 435.289 -0.027 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375394 OHBQROGIHPPUPF-UZLBHIALSA-N 447.260 -0.522 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccnnc1O 1811225973 VFYWGJZDPBKWLA-APWZRJJASA-N 447.260 -0.110 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1813028236 LYPFBEKSJMUCFE-JKIFEVAISA-N 437.884 -0.107 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1813070550 IPWWNIKOEZPZOT-KXBFYZLASA-N 439.538 -0.495 50 20 IBGD CN[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)C(=O)O 1817369707 UMFRQCLUZQIPLV-KBPBESRZSA-N 437.501 -0.163 50 20 IBGD CN[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1827054525 DKEXYJPYDKPTHB-RBUKOAKNSA-N 445.325 -0.338 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720129 TVNVAQWLQAEZDX-VQIMIIECSA-N 428.869 -0.173 50 20 IBGD CN(C)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830725527 PDMVQHRRWYZNRQ-VQIMIIECSA-N 426.901 -0.183 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738073 LRXQTTIONIGIHQ-IFXJQAMLSA-N 449.932 -0.043 50 20 IBGD Cn1cc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834801191 SYAZJDZIFCLGRS-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835380647 RLFRSDHSONLVQF-OAQYLSRUSA-N 439.557 -0.698 50 20 IBGD CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835886347 QQVNISLETWNTNB-OAQYLSRUSA-N 448.524 -0.857 50 20 IBGD CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929637 ZQZJHCAAGKMHJQ-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD CC(C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934228 QKHGLPSDFFVVPT-NRFANRHFSA-N 434.298 -0.749 50 20 IBGD CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840149618 VTRIEWHQPVEVCO-ZBEGNZNMSA-N 433.918 -0.096 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 729275551 PSSWFJQKORPMJX-CHWSQXEVSA-N 446.551 -0.052 50 20 IBGD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NNC(=O)[C@@H]2COCCO2)CC1 745997676 BVKRNIBUJCGADL-ZDUSSCGKSA-N 431.471 -0.856 50 20 IBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)N1CCCC1 748246015 CXHULOWJWXXEJY-UHFFFAOYSA-N 428.442 -0.770 50 20 IBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 749603121 DNEWJCAPRWCBIF-MRXNPFEDSA-N 449.431 -0.148 50 20 IBGD O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc(-n2cnnn2)cc1 751295785 WDKLAWZKFMGGOQ-UHFFFAOYSA-N 433.436 -0.222 50 20 IBGD CCn1nc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)c2ccccc2c1=O 759548492 FNTWYCVTLCWXLB-UHFFFAOYSA-N 439.498 -0.807 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 764317538 JVGWBMJZMVRIBR-UHFFFAOYSA-N 428.467 -0.398 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(C(F)(F)F)ccn2)n(C)c1=O 765339291 JUCZBTQPKASTBQ-UHFFFAOYSA-N 440.342 -0.300 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(O)nc3cc(F)ccc23)n(C)c1=O 766646178 XHIDBCAYVAWTSR-UHFFFAOYSA-N 441.379 -0.712 50 20 IBGD CC(C)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 784153040 AGPPQDZWYCQZMG-UHFFFAOYSA-N 443.420 -0.074 50 20 IBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793018828 GOHJZGRTLOZLIW-AWEZNQCLSA-N 427.483 -0.475 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 794508405 OEQIRZHUXWCOKO-CHWSQXEVSA-N 433.531 -0.211 50 20 IBGD O=C1C[C@@](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)(c2ccccc2)CN1 811237724 WIAHBFMIOLDBMJ-JTSKRJEESA-N 439.424 -0.025 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1779031827 ZKRGLXRCQFPZOT-GCJKJVERSA-N 439.472 -0.138 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782215184 XJKLJVRGGTVYPK-CSODHUTKSA-N 449.556 -0.199 50 20 IBGD COC(=O)CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784044986 JGSZKUHSTFQOKG-JOCHJYFZSA-N 446.309 -0.067 50 20 IBGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784376343 XYLWDXMHORAQHW-ULQDDVLXSA-N 439.557 -0.355 50 20 IBGD Cc1nnsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787632768 SAMQRZLIBQNRHK-CQDKDKBSSA-N 445.505 -0.248 50 20 IBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1789868402 FHDMUTQIKPBFMO-GUUCOKDPSA-N 435.308 -0.246 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1791289062 HCLIJLBHZINNNU-ULQDDVLXSA-N 433.509 -0.799 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736790 GSQLYCNODMOTJI-HNJRGHQBSA-N 429.326 -0.558 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc(Cl)n1)C2 1797749813 VPBNGCLXFFKXDB-WDAIWFPHSA-N 434.840 -0.157 50 20 IBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)c(=O)nc1O 1803146706 BSSAUSSPYYOXSH-HLLBOEOZSA-N 449.895 -0.042 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1cc[n+]([O-])cc1 1821047985 TUVSXZDCSMGQIL-HNNXBMFYSA-N 438.274 -0.004 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CCN1 1822478467 IFWHWLSPHGGWBU-SUMWQHHRSA-N 439.281 -0.078 50 20 IBGD CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832310936 MYVXGQJHDWNGDV-NRFANRHFSA-N 434.298 -0.749 50 20 IBGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1833095199 ZNGXKLSENQMSQK-FQEVSTJZSA-N 436.513 -0.979 50 20 IBGD CC[C@@H](NC)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834792587 YGWDSXONILPXNM-LJQANCHMSA-N 445.568 -0.132 50 20 IBGD C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939789 HZWQKRQXTUWOIG-IBGZPJMESA-N 438.236 -0.352 50 20 IBGD CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199276 LPTHGNHHYHJFME-AAEUAGOBSA-N 431.280 -0.822 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840154056 JKUDVMMNKSJRNQ-KXBFYZLASA-N 427.885 -0.291 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)nc1 1842254833 HVTLFFSNPFREIQ-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD COCCOCCOCCOCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847565655 WOPVOBYIDNVPFA-ULQDDVLXSA-N 436.933 -0.126 50 20 IBGD O=C(CN1CC(=O)NC1=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 731865554 PDNCMGHCULVCLO-UHFFFAOYSA-N 437.459 -0.138 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 734241423 DNQUIQLPNXYCNG-UHFFFAOYSA-N 449.262 -0.434 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836498 WGOBRXYTVJVMNX-UHFFFAOYSA-N 432.437 -0.018 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(I)c1O 758043253 GLYPIWXRZPZJLH-LURJTMIESA-N 427.220 -0.305 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 763852433 XLEREGXIWXFUMQ-NSHDSACASA-N 445.407 -0.406 50 20 IBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 764080974 BDVBUPSHIPBVFG-GFCCVEGCSA-N 442.494 -0.152 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 765382665 ODKAWDXFJUUGJF-LLVKDONJSA-N 435.487 -0.136 50 20 IBGD COC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 765855688 DDRPNIMESNCUPH-UHFFFAOYSA-N 428.467 -0.305 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)cc1 766641897 NWIIDQNIQPCFFA-SFHVURJKSA-N 437.566 -0.316 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 789111494 FEHCULPZEIZUMI-FQEVSTJZSA-N 446.460 -0.085 50 20 IBGD Cn1nc(SCC(=O)NN=C[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(=O)n(C)c1=O 792957186 CSNCCAHUYYAYNK-ZMZPIMSZSA-N 438.510 -0.070 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)NC2CC2)cc1OCC 798149699 INMXJCULDROSSW-UHFFFAOYSA-N 428.467 -0.812 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)C1=O 816876170 PSEFJDMCGOSHMF-FKIZINRSSA-N 441.448 -0.536 50 20 IBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 920384897 RSPFFYMYWQYJMQ-OAHLLOKOSA-N 443.551 -0.509 50 20 IBGD COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793116738 SDYIRUUXRPRQSV-YVSFHVDLSA-N 436.933 -0.080 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1cccc1)C2)c1ccc(B(O)O)cc1 1795736712 CKICVGHIKXFDJR-RMFSNUHRSA-N 425.294 -0.149 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2[nH]ccc2n1 1797395297 DWFRPJFZRJXOSS-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1Cc2ccccc2N1 1800317135 VDCNYJFDYHNREQ-JWWGGVBKSA-N 435.289 -0.394 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367770 VUIKTXOTVIOYKA-GHTZIAJQSA-N 438.293 -0.393 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2)c1cccc(B(O)O)c1 1815360361 GSVGMSDJJAPRKT-GFCCVEGCSA-N 439.262 -0.554 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1ccnn1 1824683510 SPJUXGPCGDEWII-FZMZJTMJSA-N 440.294 -0.099 50 20 IBGD COCC1(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1833460572 YATANLJBHCECRS-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1836282707 SVYGASNYIZCDJB-HXUWFJFHSA-N 436.513 -0.585 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1837711704 NXTSYVDDJGQTAJ-SFHVURJKSA-N 440.529 -0.191 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839371614 GURGGXNDFHIXTF-KSSFIOAISA-N 430.841 -0.527 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188074 MIGGDWLMJNHCPR-QGZVFWFLSA-N 431.081 -0.760 50 20 IBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841351014 DIWXIRSBJGLCFF-ZDUSSCGKSA-N 430.852 -0.013 50 20 IBGD O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013125 MBLXXDFTGVQFGZ-KRWDZBQOSA-N 439.321 -0.026 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728312420 OFCDABJNSSWXEK-QGZVFWFLSA-N 435.458 -0.100 50 20 IBGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 732328690 AVWAQJNMXQHREJ-ZDUSSCGKSA-N 442.450 -0.039 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 763570068 CUMHDVCNPYHRGP-IRXDYDNUSA-N 440.412 -0.486 50 20 IBGD CC(=O)c1ccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764514112 JVHORESWYTTZJQ-UHFFFAOYSA-N 429.462 -0.346 50 20 IBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 765645504 VIXGQAUCHUQRQK-UHFFFAOYSA-N 448.454 -0.080 50 20 IBGD COc1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 765731161 QUUHGKPPQPNJPS-UHFFFAOYSA-N 432.412 -0.638 50 20 IBGD COC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765733010 ZMMQKLKFFFMHGU-UHFFFAOYSA-N 429.393 -0.927 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)n(C)c1=O 766640653 VHCZUVACFFRIOM-UHFFFAOYSA-N 446.374 -0.291 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)n1 776061844 PMJPSOQZTUWFJO-UHFFFAOYSA-N 437.482 -0.231 50 20 IBGD COc1cccc2[nH]cc(CC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c12 778686986 ATRNMTTYXGLINS-UHFFFAOYSA-N 439.432 -0.686 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 792921495 OLVIVKGRXRIKSH-UHFFFAOYSA-N 448.480 -0.676 50 20 IBGD COc1ccc(CCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 919835919 VPBZJVYCCKTPIU-UHFFFAOYSA-N 428.449 -0.387 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CO[C@@H]1CCOC1 1319359828 FWVBWDDDYNZZSY-MRXNPFEDSA-N 441.506 -0.407 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1778355029 ULOWKSBUFSNAMY-GOSISDBHSA-N 445.358 -0.235 50 20 IBGD CN1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779028660 HDORLHYSUGDDDK-NRFANRHFSA-N 430.509 -0.530 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1779310375 DTNUBHGGCQQJOA-RVSPLBMKSA-N 434.331 -0.002 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1780949326 ZJMCTBWDZNNBQW-JOCHJYFZSA-N 449.276 -0.905 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1781226920 CVBIZKKOJGAZHC-KGLIPLIRSA-N 432.241 -0.223 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1783935064 NOYGBTMNDJRMNV-HRAATJIYSA-N 433.509 -0.388 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804727 GPRWXJCPCUSWGE-AJNGGQMLSA-N 427.885 -0.465 50 20 IBGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1786241418 NJBONNJRYCIYCT-ZVZYQTTQSA-N 440.265 -0.928 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(C)C 1786979763 PBZMPSPSFJBIFH-LEAZDLGRSA-N 446.309 -0.453 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795504808 JUSXBHDHZUSMIG-HAUZGWTQSA-N 435.510 -0.663 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369780 VBOPJZHTNPPWTL-SJLPKXTDSA-N 434.265 -0.477 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1822411016 WCUBYLHDWJEMED-CHWSQXEVSA-N 448.484 -0.627 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1832064257 OXHQHUYVVAKFLA-GOSISDBHSA-N 431.298 -0.044 50 20 IBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1834825401 YHRZKXKJZOGTKT-QGZVFWFLSA-N 443.298 -0.515 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835642344 KRBCLQJAWBVKTE-HOCLYGCPSA-N 434.921 -0.778 50 20 IBGD CC[C@H](NC)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736765 HAFIGLGSGWKMQH-IBGZPJMESA-N 445.568 -0.132 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836748905 NRSCUCYOEPYECE-PERKRYKHSA-N 430.310 -0.127 50 20 IBGD CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1838134882 IYFOKWHQLPXTCE-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838950427 USBJFCIRETVQBK-QHCPKHFHSA-N 449.272 -0.378 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840150475 LMEMBNUHOGEOLX-SUMWQHHRSA-N 438.930 -0.397 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1840182323 GXOVHONZOAKHIS-UWJYYQICSA-N 440.541 -0.225 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1840182391 IJHZGBDUGCKFCT-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840293617 MDQKSEXDSFUSCQ-QFIPXVFZSA-N 443.504 -0.051 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1844265139 XKYZPSRYDRHBLD-UHFFFAOYSA-N 449.515 -0.101 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(C)C(=O)CC1 1848043604 FXQDNXPTDXRDDF-RQPWHRJUSA-N 427.465 -0.070 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 728509315 CBKLHJYMCPBYSE-SSDOTTSWSA-N 432.402 -0.565 50 20 IBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)n[nH]c1C 728853830 CNQGIVPAKCSNNS-UHFFFAOYSA-N 437.482 -0.089 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C[C@@H](C)O1 732264618 VVVHYYGNJCGXQW-IIYDPXPESA-N 434.472 -0.108 50 20 IBGD O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)NNC(=O)C(=O)NC1CC1 757691853 PZFKBOLNYPTHAN-UHFFFAOYSA-N 441.485 -0.022 50 20 IBGD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764225571 AJYJLXWAYSQOBX-LLVKDONJSA-N 427.483 -0.843 50 20 IBGD O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779104326 ITHSJVFJTDPUBJ-NGPKUFNOSA-N 445.281 -0.661 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779255019 GTZLIERJPGNRJU-YWZLYKJASA-N 425.530 -0.506 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779810985 VDVGTISIIUVQFY-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783522089 WOCZORUVEBKOJA-IIBYNOLFSA-N 433.509 -0.457 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cn[nH]c4cn3)[C@H]2C1 1788469383 RHKKZAIJVFKGMD-YEWWUXTCSA-N 443.508 -0.076 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1ccnn1 1788609736 FJHKEHOZVCOECL-OQUILHJVSA-N 442.480 -0.869 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1SC(=N)NC1=O 1796191093 YLSPOXKCMCCYKA-YDVLKRNPSA-N 444.322 -0.579 50 20 IBGD CCNC(=S)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801240942 ALBPPKKRXMDMAW-CLLJXQQHSA-N 433.538 -0.579 50 20 IBGD Cc1nc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)no1 1815350584 YPQIUKSKRWZETL-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054557 GWPFHOLXUFDDHX-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837274261 CGQUHGAVBXRBDT-SFHVURJKSA-N 440.577 -0.373 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837971831 JKIASVOZGIWAIY-HXUWFJFHSA-N 438.481 -0.785 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839965726 IPBIJOWPPZYNCB-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839986189 JMTNODYHJNLAEO-ACJLOTCBSA-N 435.905 -0.433 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2)C(=O)O 1840031790 CGFSCPZLQWUQIE-HWWQOWPSSA-N 436.303 -0.711 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840036173 HHESHAZTQNQMGS-CXAGYDPISA-N 449.346 -0.401 50 20 IBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)[nH]c21 726867472 MKJMRHRTCZTVDJ-UHFFFAOYSA-N 447.477 -0.121 50 20 IBGD Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(N)(=O)=O 728320637 KBNPOWADQUAQLW-HNNXBMFYSA-N 449.441 -0.213 50 20 IBGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)C1 728729674 SKPRCDUCOSPNHA-LBPRGKRZSA-N 432.524 -0.254 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 756751382 QAOBVPIQNGOZEF-SNVBAGLBSA-N 443.869 -0.255 50 20 IBGD COc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)c1OC 758045804 PLNVTJFDIAXWOO-JTQLQIEISA-N 431.467 -0.240 50 20 IBGD COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764203866 KQQDYAOWRCZREM-UHFFFAOYSA-N 441.510 -0.483 50 20 IBGD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231022 LOJNAICEVDWCBR-JTQLQIEISA-N 425.467 -0.633 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)nc2n(C)c1=O 772889278 FABKVFQOXFIMJL-UHFFFAOYSA-N 444.835 -0.637 50 20 IBGD CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NNC(=O)c1cccc(Cl)c1 781909882 SBQZMZCCRWGHRI-CQSZACIVSA-N 426.857 -0.519 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 784004830 KWSHCMHKGWRICE-UHFFFAOYSA-N 432.397 -0.621 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)cc1OC 790686899 QGFDVAJWOMHIRV-HXUWFJFHSA-N 433.417 -0.379 50 20 IBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 913151422 IPNCPRXHTDINKJ-CQSZACIVSA-N 437.478 -0.390 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778412395 DZSSQIVFRYSYEF-NRFANRHFSA-N 435.249 -0.605 50 20 IBGD Cc1cc(/C=C/C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1779128787 SDUFMCIXTPICHT-IRUYWQDXSA-N 425.250 -0.180 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783876822 AVJKPUCGGQCBGO-KBXCAEBGSA-N 425.873 -0.618 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n(C)n1 1786984440 GHEHNHUEWAZRRA-IEZWGBDMSA-N 426.282 -0.685 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790174369 ZOXYOMNGKLOZPF-AIUMHDJVSA-N 435.905 -0.591 50 20 IBGD CCc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734645 VEKLJGFZIKMZHQ-CCWDJLKJSA-N 427.266 -0.258 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCO2 1796787423 QUCIGRRPQGAFLR-YVWYUNDQSA-N 432.477 -0.009 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840150074 FDTXLXHOPYWXAY-WMLDXEAASA-N 445.860 -0.499 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1840187301 RRSGTOBSLCZASR-JXFKEZNVSA-N 442.582 -0.041 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203741 QFZISOJZEHPTTM-IAQYHMDHSA-N 445.822 -0.625 50 20 IBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)N1CCN(C)CC1 1844264765 FSJWWBQRZVNJSR-OAHLLOKOSA-N 429.525 -0.862 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc2c1=O 17397994 FSAJRGDILMOORC-UHFFFAOYSA-N 426.433 -0.102 50 20 IBGD Cn1nc(SCC(=O)N/N=C2\C(O)=Nc3cc4c(cc32)OCCO4)c(=O)n(C)c1=O 18888297 GSGCLLCORKCHGD-UHFFFAOYSA-N 432.418 -0.536 50 20 IBGD CCCCN1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc21 764234383 XVFGZQFLFKVTFD-GFCCVEGCSA-N 425.511 -0.127 50 20 IBGD CCOC(=O)CNC(=O)C1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 771980647 QAOVCELUGDGKDU-UHFFFAOYSA-N 439.494 -0.390 50 20 IBGD COc1ccc(Cn2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn2)cc1OC 779377977 UMPORJHTKIQVCW-LLVKDONJSA-N 425.467 -0.353 50 20 IBGD O=S(=O)(CBr)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 782413650 CVQXKUHVOQBWIQ-UHFFFAOYSA-N 427.346 -0.195 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 807723906 ULTCKOAUMFGCMK-IOASZLSFSA-N 445.428 -0.308 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1322956364 BBHKPJGZKAQJCY-OAHLLOKOSA-N 439.513 -0.092 50 20 IBGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2nccn12 1782351497 YLOAKQJPPOBBKL-JOCHJYFZSA-N 449.276 -0.525 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccn1 1784520029 JLMXCIDMMQRKGM-JLTOFOAXSA-N 427.465 -0.414 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1cc(=O)n2[nH]nnc2n1 1787271007 OQJSYQHYLONBJN-NRPADANISA-N 430.252 -0.790 50 20 IBGD CC(=O)O[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(C)C 1788474372 DQBJSZSSKZUBOV-FRYIKTPZSA-N 446.309 -0.453 50 20 IBGD Cc1ncoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610503 CJMNXOAZSJFGQK-RCBQFDQVSA-N 428.449 -0.111 50 20 IBGD C[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CCCN1 1789826138 CPKJTERBCSWVEQ-YCFGMDTISA-N 430.509 -0.580 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)on1)C2)c1ccc(B(O)O)cc1 1795732991 WSMWIAWEYZLNBW-CCWDJLKJSA-N 425.250 -0.251 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800233834 WLYWIYHHXVMQGU-ZJOBFFGXSA-N 428.486 -0.489 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1800982655 IKQOMSSOEJYXEW-FBKDDSFISA-N 435.955 -0.310 50 20 IBGD O=C(CN1CCCC1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976525 AGCHEVHYTMGFOS-UHFFFAOYSA-N 427.310 -0.166 50 20 IBGD CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339578 HWTOHGKVHSIPTP-LBPRGKRZSA-N 437.308 -0.907 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C3CC3)on1)CCO2 1830199930 RGDKJFDVCHHQNS-OAQYLSRUSA-N 449.508 -0.005 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731555 MCEBCXKUZBXYMY-DEYYWGMASA-N 427.889 -0.667 50 20 IBGD Cn1nccc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797241 AGDKYXYTHTWZMZ-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD CCc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1835938151 NKDMSHZDDUIMBK-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)COC1 1837460358 CNRCHKIFRRSGIC-OAQYLSRUSA-N 447.492 -0.818 50 20 IBGD O=C(c1ccnnc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838375535 CUZUBGKQIOZVIH-NHYWBVRUSA-N 433.234 -0.057 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840035948 AQWHRIDJEFLLIF-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cccc1 1840351301 RXJAVUDOCUZIAU-HTAPYJJXSA-N 441.293 -0.501 50 20 IBGD CC(C)n1nc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1C(=O)O 1843013639 SNXRNVLTNZUQLS-UHFFFAOYSA-N 440.265 -0.027 50 20 IBGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 731901945 HUQGVUBRPGPBSG-OAHLLOKOSA-N 447.535 -0.159 50 20 IBGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751271312 NANXIIYATSVVKZ-VIFPVBQESA-N 425.872 -0.194 50 20 IBGD COC(=O)N(C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636700 RSTQCNGZJZRBAX-UHFFFAOYSA-N 441.510 -0.853 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)n1 812979578 XLIVKKJERLNKRQ-UHFFFAOYSA-N 427.465 -0.782 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2COC3(CCOCC3)O2)c1 1319868728 AVORTKSQXOOVCF-AWEZNQCLSA-N 442.494 -0.197 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1779029275 VKFWYXUIZRZOGQ-FQEVSTJZSA-N 426.433 -0.924 50 20 IBGD Cc1cc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)no1 1779128095 CILWJWRORLTOLD-LYSGITKLSA-N 425.250 -0.180 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(=O)[nH]c1C 1783935903 GIHGAWFNISNRON-FQEVSTJZSA-N 434.497 -0.797 50 20 IBGD O=C(CCc1cn[nH]c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785278940 GDVLCDUEENEJTD-WDSOQIARSA-N 426.282 -0.684 50 20 IBGD CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786857733 BDAZDEGMKYWESA-WDSOQIARSA-N 442.325 -0.758 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccco3)C[C@@H]21)c1cccc(B(O)O)c1 1786983753 ZCHWBCKKWVKZPP-ZVZYQTTQSA-N 426.234 -0.564 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1[nH]nc2ccncc12 1787339434 KBHIWFVYZUVFOI-FNHZYXHNSA-N 449.276 -0.455 50 20 IBGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)NCc1ccco1 1797890031 LMOXEVRGQDZDST-VSGRKUHDSA-N 425.869 -0.359 50 20 IBGD O=C(COc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800645724 AEEASZQBUBAYAS-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361607 BSAUUEMDCRRAKC-LPHOPBHVSA-N 445.306 -0.874 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1813073249 OEAWMJWNQJJSIF-JXFKEZNVSA-N 428.497 -0.248 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731275 JYMYDFOERNOLPZ-APWZRJJASA-N 426.901 -0.111 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831597905 MXZBWXCKIAQZLK-OGHNNQOOSA-N 434.331 -0.015 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831645366 COKNGBXLWXBXON-PXNSSMCTSA-N 438.717 -0.156 50 20 IBGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1833673859 AILWVRHMGNOLLW-IBGZPJMESA-N 440.476 -0.700 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835846424 KISGVUJZELTWLU-SFHVURJKSA-N 440.526 -0.832 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716699 JZKISDXIZZQJTE-SFHVURJKSA-N 438.717 -0.422 50 20 IBGD Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459255 AHGVURQSNQQFLT-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837596008 ZJKBBTURZVVZAR-IERDGZPVSA-N 434.298 -0.750 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185272 IJFJRKNDXNEJKT-IIBYNOLFSA-N 440.541 -0.611 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840575438 GSALAVQAKVDPJI-FXAWDEMLSA-N 434.323 -0.668 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 758038701 GDFZBWYPZCJTIU-VHSXEESVSA-N 447.311 -0.113 50 20 IBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763813666 NGDDMZZKYVQVOQ-UHFFFAOYSA-N 425.401 -0.152 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332424 YIFXSXRQLJROLC-RULNRJAQSA-N 426.239 -0.429 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781348711 HFXHVZUGSCYSBF-TYILLQQXSA-N 449.932 -0.308 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783872019 ZNRBQESACNLLOA-CKFHNAJUSA-N 449.932 -0.044 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(CO)CC3)C[C@@H]21)c1cccc(B(O)O)c1 1786982685 DDCQNUPCLKNGSM-JOZKFPCRSA-N 444.337 -0.242 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](O)CC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986487 GMDBZYGCHLABNM-IQLMPHEPSA-N 430.310 -0.489 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1791545346 VASIJMOBFGGOQE-HVQZGBDUSA-N 429.880 -0.029 50 20 IBGD Cc1ncc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1791587753 CNCDWPXLQKDXRI-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186726 QESJZSGNZBVGSO-NPJQDHAYSA-N 431.375 -0.005 50 20 IBGD CCOC(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)OCC 1801148614 FADRQLFCVKVUGY-YVWYUNDQSA-N 428.530 -0.262 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810818613 YESBEWXEBDSIMK-KRWDZBQOSA-N 430.314 -0.342 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829916183 VJJMZNNXDXSQQB-WIYYLYMNSA-N 432.282 -0.995 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830724964 KLTYYFZYVPLIAI-DNVCBOLYSA-N 440.884 -0.290 50 20 IBGD O=C(c1ccc(CO)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738670 RBQTVHPXZYWZRW-APWZRJJASA-N 430.860 -0.012 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCNC2=N)CC1 1831871080 LRCXBCQLGCXIQA-QGZVFWFLSA-N 435.573 -0.181 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834589380 UQUYUUQEHZBPFC-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835642345 KRBCLQJAWBVKTE-ZBFHGGJFSA-N 434.921 -0.778 50 20 IBGD COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1836234437 QBXBPTKPLSGEOD-SCLBCKFNSA-N 431.848 -0.101 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1OC 1838839868 GTOMCWBRVXMNEL-ORAYPTAESA-N 443.884 -0.232 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839963702 SNKSBARYOYDJOB-WFASDCNBSA-N 441.344 -0.339 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CNc3ccccc3)c2)CCN1 729513917 AERYQKULKPOEEI-UHFFFAOYSA-N 431.474 -0.320 50 20 IBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 731760929 IMANYNRWLUISLI-UHFFFAOYSA-N 443.482 -0.187 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 740851697 RHAWGPZYXVSDHB-UHFFFAOYSA-N 432.524 -0.165 50 20 IBGD COc1cccc(C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)n2nnnc2C)c1 751200932 CPHHMTHVBXISHN-HNNXBMFYSA-N 427.421 -0.056 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-n3cccn3)cc2)n(C)c1=O 755610512 RRTWBJOPUOIANZ-UHFFFAOYSA-N 437.420 -0.528 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2[nH]ncc12 756524117 HEVNILJYWXMEKI-UHFFFAOYSA-N 425.409 -0.529 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 763808082 UPLXBZNDQNBVKN-HNNXBMFYSA-N 449.423 -0.072 50 20 IBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c(OC)c1 764284941 WSDLTEJXYQEAHW-UHFFFAOYSA-N 440.416 -0.012 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCc1ccccc1O)CC2 764289509 VTJSOYONHYTVGU-UHFFFAOYSA-N 446.485 -0.030 50 20 IBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cccc(F)c1I 782967723 WNPBPUOIDMATDP-UHFFFAOYSA-N 434.165 -0.205 50 20 IBGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789046037 GNWIFEXEASHZJO-UHFFFAOYSA-N 427.402 -0.732 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)c1 810558939 HHLBTVZNWIJITI-UHFFFAOYSA-N 434.478 -0.063 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC 834444793 QVXZRMXXVUXVEO-UHFFFAOYSA-N 443.478 -0.320 50 20 IBGD C[C@@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c21 1777852097 XFOBULZZXBQQKS-PEBXRYMYSA-N 438.293 -0.104 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1779030831 IWCUFOZPSWMPPZ-NRFANRHFSA-N 430.509 -0.386 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784596731 VLWHIMAFGVJSSO-SLLKKCNZSA-N 443.468 -0.802 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984436 LXYUJVIICPTBPI-WBAXXEDZSA-N 446.700 -0.490 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)F 1793705648 NKTVASBNKWSWJC-BZBKMWRSSA-N 433.362 -0.211 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749750 NLCXYVHAOFCZRX-ZXFNITATSA-N 441.492 -0.579 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1O)C2 1797754042 QIZVZDDBSCXLNN-YVWYUNDQSA-N 439.472 -0.163 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(O)c1 1801011774 AZIXDLMTQCJGTN-VTEUUUEMSA-N 434.493 -0.023 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803140033 BBJBAJOCUULHIU-XJKCOSOUSA-N 432.868 -0.110 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnn1 1812395875 KNUDNAYUMUGBTE-MOXGXCLJSA-N 448.292 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1813072035 ZDUPIJJHQRWORS-JXFKEZNVSA-N 428.497 -0.248 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1c[nH]c(=O)cn1 1820246518 NQAACLNBCFRPEO-MRXNPFEDSA-N 436.237 -0.208 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829913739 ABWFXGHEGJGUTC-GHTZIAJQSA-N 432.282 -0.995 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830731597 MUFGKWIEYSPMLW-KHYOSLBOSA-N 426.901 -0.062 50 20 IBGD O=C(O)c1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)ncn1 1833969248 NOJWZJIGNISEDZ-MRXNPFEDSA-N 439.900 -0.040 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449241 BOESIOZTMOPCLK-YJBOKZPZSA-N 448.358 -0.052 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927428 OJPHZBHKRAWQGV-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1837718171 YWOKTRNYFLCLQG-GOSISDBHSA-N 425.562 -0.024 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837738744 YIBQSPDZQVSJBO-DOXZYTNZSA-N 426.901 -0.062 50 20 IBGD O=C(CCn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203691 SLIPVOKJCCAWJM-DZGCQCFKSA-N 434.266 -0.185 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)s2)n1 728723204 MQDVTOZRMHTJPU-UHFFFAOYSA-N 432.505 -0.364 50 20 IBGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 731059152 XOVVMWNPKPAHKY-UHFFFAOYSA-N 428.492 -0.331 50 20 IBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 731957229 GERFQXLKGGMWDJ-ROUUACIJSA-N 432.477 -0.313 50 20 IBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 732052686 XQUYEXVXGYDPKB-QGZVFWFLSA-N 442.480 -0.863 50 20 IBGD C[C@H](CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742576946 JHVCGUWMDXKGAQ-GHMZBOCLSA-N 443.507 -0.979 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 755036551 VLTFWMNCPDPQCV-GFCCVEGCSA-N 425.467 -0.288 50 20 IBGD CC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 763512252 OAVZGTNPWABDDN-UHFFFAOYSA-N 428.467 -0.400 50 20 IBGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc21 763575180 QWDXVHVNGXIPBJ-MRXNPFEDSA-N 426.385 -0.032 50 20 IBGD O=C(NNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1)N[C@H]1CCS(=O)(=O)C1 767733244 PVLMCCOIZULLTQ-LURJTMIESA-N 429.835 -0.143 50 20 IBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)[C@@H](C(=O)OC)C1 780350672 QKBMDGSTZJIBLZ-UONOGXRCSA-N 437.449 -0.109 50 20 IBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c2ccccc2O1 785068027 RKKSHYKFSOFVFY-INIZCTEOSA-N 437.412 -0.009 50 20 IBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)C(=O)Nc1ccccn1 792218934 BNTKTDNGLDDMDV-INIZCTEOSA-N 427.339 -0.201 50 20 IBGD Cc1cc(O)nc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc12 809724668 VEJJLOZUOAHBEB-UHFFFAOYSA-N 437.416 -0.543 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779064400 JVGMSACZJZRHRX-QHCPKHFHSA-N 440.305 -0.492 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4cncc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984218 RCQAZQZYQTZBAY-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)o1 1786984702 ZMMJVWYMUSFZRW-XIRDDKMYSA-N 442.281 -0.673 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ncc(F)cc1F 1793579422 VVSAHBHVUMOMDZ-FVCICTRLSA-N 431.204 -0.443 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799362160 UKEIWAZTLSCWQW-QKDZRIPBSA-N 449.932 -0.549 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc2nccn12 1799987980 QOYPZGDROVPFQF-HGKCTWBKSA-N 449.276 -0.765 50 20 IBGD CN[C@@H](CC(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1)C(=O)O 1809840063 XIJCUYFTDHKRIP-HNNXBMFYSA-N 425.530 -0.347 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978656 IEJYABGUMPBXLM-QGZVFWFLSA-N 447.297 -0.724 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)N1 1827050999 JVHWISKEGJHYAI-RTBURBONSA-N 427.310 -0.122 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1828925890 SNVYHVKLYUSJPT-INIZCTEOSA-N 431.497 -0.413 50 20 IBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)C(=O)OC(C)(C)C 1830723908 UJGDJMQFJDEHTR-AUUYWEPGSA-N 449.932 -0.091 50 20 IBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830733670 QXYTZGXZYLFNQD-IFXJQAMLSA-N 449.932 -0.044 50 20 IBGD C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1832462572 NWTROOHAHVUHDK-LJQANCHMSA-N 428.555 -0.265 50 20 IBGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833817212 MSIPWSLOLYFXIQ-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD CC(C)(O)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834573426 IDJGUGFMSKXDCO-UHFFFAOYSA-N 431.342 -0.287 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930232 DHAYVGPQGZPIQV-PERKRYKHSA-N 430.310 -0.127 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930669 TURMFGGQGAIUHD-OAQYLSRUSA-N 442.281 -0.910 50 20 IBGD Cc1ccc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843012817 RLHINPQCLNUESS-UHFFFAOYSA-N 435.289 -0.078 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 729276746 LFYCCUNJTUZUAQ-GJZGRUSLSA-N 440.522 -0.221 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cnn(-c2ccccc2)c1 733171487 OKMNNRAVMUAIRK-CJNGLKHVSA-N 431.474 -0.331 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755406158 RCXJPMGTQLMVJB-ZDUSSCGKSA-N 427.502 -0.046 50 20 IBGD O=C(COC(=O)c1cnc2c(c1)NC(=O)CO2)NNC(=O)[C@@H]1COc2ccccc2O1 771096328 DSCJRCPNWKUESE-AWEZNQCLSA-N 428.357 -0.443 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)n1 773190551 BNMUDRZQMAPUMV-OAHLLOKOSA-N 432.524 -0.255 50 20 IBGD O=C(NNC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)N[C@H]1CCS(=O)(=O)C1 780909011 XVIWSQHESUFFSX-KBXCAEBGSA-N 440.478 -0.411 50 20 IBGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 784000105 VRLPYUMBWOVWAW-UHFFFAOYSA-N 430.509 -0.468 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 784004190 KFRHLQBKXNSLSA-UHFFFAOYSA-N 443.460 -0.330 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785659628 CFVXXVIMQNGKQB-QGZVFWFLSA-N 432.477 -0.520 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(=O)c3cccn3C)CC2)cc1 807091139 HJRNLZZRYUJGLE-UHFFFAOYSA-N 447.517 -0.330 50 20 IBGD N#Cc1ncn(CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 807511111 UGWHMLHHVVKCIJ-UHFFFAOYSA-N 432.466 -0.422 50 20 IBGD COc1cccc(-c2n[nH]cc2C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 814877633 SYBTYXHKBBDFJQ-UHFFFAOYSA-N 436.432 -0.017 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CNC(=O)C1CC1 914856604 AVUIAIVYRYDXAQ-UHFFFAOYSA-N 438.506 -0.686 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN(C)S(C)(=O)=O 916580342 OTGWTBUQJUGVDO-UHFFFAOYSA-N 434.544 -0.486 50 20 IBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1248442216 KNNWCULGXBURRO-OAHLLOKOSA-N 431.536 -0.187 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(=O)c1ccccc1 1786341078 QTOSCPGEHMAMQI-IHPCNDPISA-N 436.273 -0.157 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ccccn4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786983311 MVHZRFZCBQJWSV-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCCC3)C[C@@H]21 1788610035 XHJXNGISYYLOAB-KKXDTOCCSA-N 429.477 -0.027 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1788765020 FQGZDQPGZQJVGG-IHRRRGAJSA-N 426.546 -0.631 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ncccc34)C[C@@H]21 1791289353 VOXPLQIKQQXMCJ-BPUTZDHNSA-N 443.508 -0.076 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797751908 YJQWRHMTCJMYEY-XQKSZALGSA-N 440.460 -0.400 50 20 IBGD O=C1CSc2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cc2N1 1800036733 VKBASCDVMTYWAQ-WJNVRWDZSA-N 440.909 -0.071 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CCC(N)=O)[C@H]1c1cccnc1 1810305032 IOXPQGJBWONDLM-KUHUBIRLSA-N 439.476 -0.335 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812642762 JGWPRIZRDOJILV-GUXCAODWSA-N 430.509 -0.404 50 20 IBGD Cn1nncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337366 RYVMGXJSCLNKHI-LBPRGKRZSA-N 426.267 -0.509 50 20 IBGD N[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1cccnc1 1830722891 IMIUIZGTBUEZSY-MDZRGWNJSA-N 426.901 -0.472 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730873 GFILWGPOEZHKQP-RDTXWAMCSA-N 428.873 -0.665 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733414 LSABUTXASAORNX-KBXCAEBGSA-N 430.841 -0.527 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831893734 OMZYGJLMTCZNBW-DNVCBOLYSA-N 427.885 -0.291 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832351921 TVPFPYZOKNIKSV-UTKZUKDTSA-N 440.541 -0.225 50 20 IBGD C=CCn1c(S)nc2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2c1=O 729275839 SBBZLVXWVRBBNK-VIFPVBQESA-N 425.492 -0.430 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2)cc1 731667007 MKYIWNCGZFAYAF-GJZGRUSLSA-N 443.547 -0.022 50 20 IBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 732328689 AVWAQJNMXQHREJ-CYBMUJFWSA-N 442.450 -0.039 50 20 IBGD Cn1c(CC(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)nc2ccccc21 734686819 WEGWLFBVMFRZMM-INIZCTEOSA-N 429.525 -0.147 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl 747790366 GLHIIMVFTQOYGM-MRVPVSSYSA-N 426.904 -0.711 50 20 IBGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C(=O)N1CCCC1 748446499 KAMLPZJBMBNBFE-UHFFFAOYSA-N 439.494 -0.840 50 20 IBGD Cn1cc(C(N)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755036680 FOIOVBVNOCFCBK-UHFFFAOYSA-N 435.462 -0.780 50 20 IBGD COCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764425659 PSVLXHYGQPHSEP-CYBMUJFWSA-N 446.254 -0.024 50 20 IBGD CCc1c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 778442049 QDVFFIQAWNKTTR-UHFFFAOYSA-N 434.453 -0.520 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCCC3=O)c2)C[C@H](C)O1 789856277 DMAOFVUIJUVJRG-KBPBESRZSA-N 438.506 -0.132 50 20 IBGD COc1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1S(=O)(=O)N1CCOCC1 802034198 DFKHJOVYGIWUHE-UHFFFAOYSA-N 435.462 -0.001 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n(C)c1=O 802762879 OZZWBKHMGQLVGW-UHFFFAOYSA-N 441.423 -0.430 50 20 IBGD CC(C)COC(=O)N1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 814877554 QHMMFMDQUDIUJY-UHFFFAOYSA-N 433.469 -0.206 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)C1=O 816876171 PSEFJDMCGOSHMF-MPBGBICISA-N 441.448 -0.536 50 20 IBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 892675321 YQXVYZZHBSTHHV-LLVKDONJSA-N 438.915 -0.438 50 20 IBGD COCCn1cc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 1340911323 MTUQCOHDHRLUAE-UHFFFAOYSA-N 430.512 -0.246 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777932342 VDHJTQMCAAUWQJ-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1779030626 DWAJZGKPIPVYJW-NRFANRHFSA-N 442.451 -0.095 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781343354 YEPKJYXSAOHEMH-KRWDZBQOSA-N 437.099 -0.263 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1783935205 QSLGCFWWSOOCTF-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979985 WNTYPEGLZUYLES-VDGAXYAQSA-N 425.294 -0.079 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607887 SELYIDZITVRCSB-MGHWNKPDSA-N 446.508 -0.807 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789970076 HCNXHTWKJYBBQO-RPIBGLMYSA-N 442.480 -0.608 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1791293710 CSSPRRZTWUHMFQ-XIRDDKMYSA-N 448.524 -0.533 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nccn13)C2 1797753610 AERAETYYCKSIPU-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD Cn1nncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369257 DDOCZWZBZOYCIF-VQIMIIECSA-N 434.265 -0.477 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810294533 LPTCPZYRQWWABQ-XKQJLSEDSA-N 446.895 -0.001 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1819793119 KTSUBSCVVUPXIM-UFBFGSQYSA-N 438.897 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1822414287 QSXWDMSULONIQG-CQSZACIVSA-N 433.517 -0.385 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1829949126 SJSQNRZWXVWDDP-CXAGYDPISA-N 432.315 -0.246 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835557362 HHPIVQWTNLNZPC-IGCXYCKISA-N 449.346 -0.933 50 20 IBGD O=C(c1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931018 CNNUPQYMRAWCOF-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1835933621 DLNOXLKBMBXFGF-UWJYYQICSA-N 448.350 -0.420 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315482 DJLNUANLVVYSIL-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837377081 HMPYABPBCRWFOW-CXAGYDPISA-N 449.346 -0.065 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839533790 HXOYSPFZICNCDA-OAQYLSRUSA-N 448.524 -0.728 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c(C)o1 751743758 XRKDPADUTNSMPO-UHFFFAOYSA-N 430.464 -0.192 50 20 IBGD CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755064475 QYMIKHHXVXTTMS-MJBXVCDLSA-N 446.570 -0.206 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755247448 MUETVGYOPXHBKU-GVAFMPQTSA-N 446.485 -0.159 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)cc1OC 756551319 LLWWXNYDQVRHES-UHFFFAOYSA-N 428.511 -0.179 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 763739064 YBOKFHCOLHHXLJ-UHFFFAOYSA-N 448.505 -0.137 50 20 IBGD C#CCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC 764813218 VESWNOZJRWGRNC-UHFFFAOYSA-N 438.444 -0.005 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(F)cc2Cl)n(C)c1=O 765125560 ODFLCGPMKVFTAA-UHFFFAOYSA-N 444.832 -0.764 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCCCN3C)CC2)cc1 766635700 DCLHBUQTHGLMGS-SFHVURJKSA-N 437.566 -0.067 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 817053278 KTPQHCLDXXOCAR-UHFFFAOYSA-N 425.492 -0.122 50 20 IBGD COc1ccc(-n2cnnc2SCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919889614 PWZJBXOCLZERIX-NSHDSACASA-N 440.507 -0.115 50 20 IBGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)no1 1779432246 WJHZWSQDVKNSPC-QMTMVMCOSA-N 442.900 -0.174 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981796 LZCTTWOIHMYCTG-NDXORKPFSA-N 448.288 -0.079 50 20 IBGD Cc1ocnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789030939 AOZASDFIIHTFLG-RCBQFDQVSA-N 428.449 -0.111 50 20 IBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nn1C 1789401253 VWACJEDLOWSJOD-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]c(C2CC2)c1F 1794480242 TUORUXZRHHNKMN-XOIINTDNSA-N 442.256 -0.377 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)s1)C2)c1ccc(B(O)O)cc1 1795734293 LRUKDSNWSMHUNZ-JJLQDPRZSA-N 435.698 -0.007 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795734490 PVPGJUWEODSMAC-HRQSHJORSA-N 436.273 -0.427 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803650106 IYWSRTQLFGABTI-RLFYNMQTSA-N 432.481 -0.431 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473979 JMSNKESJRFITOZ-WBMJQRKESA-N 427.270 -0.093 50 20 IBGD O=C(CN1CCOC1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831020224 QURYCXZVRMTXTO-SWLSCSKDSA-N 438.250 -0.415 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390550 BYPSOSNJKYVRGB-AUUYWEPGSA-N 442.900 -0.289 50 20 IBGD CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1835479820 RNDBDMRNVHAZHL-SFHVURJKSA-N 429.993 -0.595 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932038 LFYSTCLLKMDSHV-QVKFZJNVSA-N 432.282 -0.948 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1840184287 YKPVMBBTCJOMCO-OAQYLSRUSA-N 435.525 -0.223 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840593994 AYUPYRCBQLARSY-OAQYLSRUSA-N 447.492 -0.940 50 20 IBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 16594119 KAIAQFWAKZYNDO-UHFFFAOYSA-N 446.493 -0.423 50 20 IBGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728371794 LLFIRESPCRYQBH-MRXNPFEDSA-N 449.441 -0.593 50 20 IBGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)[C@@H]3COCCO3)ccc21 761164704 AVWJHUADYSHXTB-ZDUSSCGKSA-N 434.453 -0.481 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)nc(Cl)c2)n(C)c1=O 765727585 KUTYPQQGPHVOBU-UHFFFAOYSA-N 426.220 -0.403 50 20 IBGD CCOc1ccc(SCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765728384 OWAXPALDZIYANC-UHFFFAOYSA-N 446.489 -0.228 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cnc(N)nc1)c(=O)n2Cc1ccccc1 781584701 WKAHPTKAIWQVEW-UHFFFAOYSA-N 447.459 -0.050 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 785507398 NDAXHWLDUMIRHC-UHFFFAOYSA-N 442.501 -0.211 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CC1OCCO1 792841645 CSBCAXWHZLEBFL-UHFFFAOYSA-N 427.479 -0.450 50 20 IBGD CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 793392904 XSMORAQLHDXOBI-QMMMGPOBSA-N 427.888 -0.236 50 20 IBGD CCOCCO[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918141373 PPWVKDKONIITHN-CQSZACIVSA-N 429.495 -0.090 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2cccn2cn1 1788077317 HGHLEYUCZITQJL-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1795113089 XKGMCGSAPCXIQY-WDAIWFPHSA-N 439.270 -0.594 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796417624 NEMLLAFPGSDTIC-ZJOBFFGXSA-N 438.554 -0.094 50 20 IBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c(O)n1 1797752796 HQFUBDNJZFBWAG-FVCICTRLSA-N 440.460 -0.389 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2nccc12 1799974323 QBXXJJUNSFIPMB-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ncn(C)n2)[C@H]1c1cccnc1 1805326694 FOWFPMYSPYMGEE-CRAIPNDOSA-N 428.497 -0.097 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cnnn1 1826972841 QLQSWSUXPYQIAZ-GXFFZTMASA-N 441.282 -0.704 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837459586 SKOURNWXKNVBIN-KSSFIOAISA-N 439.419 -0.590 50 20 IBGD CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1839067739 KUSQTUQDQHXIBE-DYESRHJHSA-N 439.557 -0.842 50 20 IBGD Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184283 GVHHUDRXHGXNNX-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840244798 RTNDJGPUYKHXDK-AYOQOUSVSA-N 440.664 -0.639 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843010585 HDJNPXCTYBDGLT-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1OC 10936871 JCQUIUXKRZHMQU-SOFGYWHQSA-N 446.416 -0.881 50 20 IBGD CN(CCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1=NS(=O)(=O)c2ccccc21 741894470 IKIXZECDGHCZHM-LBPRGKRZSA-N 442.519 -0.570 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 764228591 YXMTXFBENCWCEG-BXUZGUMPSA-N 428.467 -0.732 50 20 IBGD COc1cccc(CO[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765727694 MPXMHBLAFUZERJ-LBPRGKRZSA-N 444.448 -0.805 50 20 IBGD C[C@@](O)(Cn1ccccc1=O)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 790482771 CZXMOFHCBGRNQI-MRXNPFEDSA-N 428.854 -0.639 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 806787259 DWOZTJFBIXAEDX-JTQLQIEISA-N 425.916 -0.021 50 20 IBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccn1 1779557025 GEVDHZPBAMUHMH-NRFANRHFSA-N 425.250 -0.473 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780032075 VMYIIZUIOMWYSZ-NRFANRHFSA-N 439.233 -0.753 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783355690 XDALRKPYJPZYBL-PBHICJAKSA-N 436.347 -0.724 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1783935187 OSJGCXQVZQERMP-OAQYLSRUSA-N 448.524 -0.259 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1786401002 LWZHESQULAJWQD-BJDJZHNGSA-N 431.287 -0.651 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786886289 SCKXNMFXGRUNOX-QMVSFRDZSA-N 433.347 -0.410 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1C 1786983314 NDQRRIVHSSQYMK-VDGAXYAQSA-N 425.294 -0.080 50 20 IBGD CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610685 PCBNVKZUHDHZIL-QVXKWDKBSA-N 445.476 -0.602 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790584869 QCKZBPWFXREGOM-JBJRXJHCSA-N 438.912 -0.221 50 20 IBGD Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)s1 1794110499 RFJHKDVMYPYXTM-HBCWATKFSA-N 438.554 -0.258 50 20 IBGD O=C1Cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)ccc2N1 1795734723 XFVKXTISGHHMDJ-UPHUGPLXSA-N 449.272 -0.622 50 20 IBGD CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737060 ZKBAWZRDNPDEBU-HGKCTWBKSA-N 439.277 -0.323 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1c[nH]c2nccc-2c1 1796194753 GBRRCFVKHLCBDL-IZZQQSIFSA-N 434.261 -0.289 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3c1)C2 1797753946 LQESJOPNDGZGJF-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(=O)O)ncn1)C2 1798440827 XFRYGAVTVVBZRO-ZSBIGDGJSA-N 439.432 -0.261 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830296910 OMIANGFKDUNGFL-KSMMKXTCSA-N 449.932 -0.044 50 20 IBGD Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1833016347 ALCJLFAGGOSLPO-SUMWQHHRSA-N 432.930 -0.165 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834360926 LCKVLKDOSMVTDB-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927516 RHQFPZLHPBFXRW-FXAWDEMLSA-N 436.339 -0.609 50 20 IBGD Cn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837456828 NSLURWVJLYUFRG-OAQYLSRUSA-N 442.476 -0.593 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033519 IBZKPVGZRHSOFD-AHIWAGSCSA-N 432.315 -0.083 50 20 IBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 729258478 XZWFONQJZRNRNO-INIZCTEOSA-N 447.459 -0.017 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742477790 TXYFRIQLUBMFHE-OHHBCXFOSA-N 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Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnnc3C)CC2)cc1 753297441 HXJJGWXEFOMIFM-UHFFFAOYSA-N 432.506 -0.139 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755406156 RCXJPMGTQLMVJB-CYBMUJFWSA-N 427.502 -0.046 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 755621790 CSVPXWGEAVCIGR-GFCCVEGCSA-N 426.499 -0.835 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c(C)c1S(=O)(=O)NC1CC1 764285383 COULVBIGSYEXQJ-UHFFFAOYSA-N 434.478 -0.204 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 766647989 GMAGXNDAHUPBEM-UHFFFAOYSA-N 434.460 -0.119 50 20 IBGD Cc1ccc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)nn1 783950714 DKDUYODNLSHBHZ-MRXNPFEDSA-N 426.433 -0.119 50 20 IBGD Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002167 KYBQVVNNTRCOML-UHFFFAOYSA-N 438.400 -0.240 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(O)ccc2C(F)(F)F)n(C)c1=O 793677211 UGKWKUVIRMNUFA-UHFFFAOYSA-N 440.338 -0.381 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 817052921 WFTGMVUNGYNODU-UHFFFAOYSA-N 434.478 -0.417 50 20 IBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 916433488 XJNVYRPRFMFAKS-UHFFFAOYSA-N 425.515 -0.912 50 20 IBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1318971676 BEEOPPNYBOARCI-UHFFFAOYSA-N 432.529 -0.424 50 20 IBGD CN(C)C1CCN(CCNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1323052545 QZWSDXPCFKFAQH-UHFFFAOYSA-N 425.559 -0.050 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781268352 NYMBQKOVFCAYNS-NRFANRHFSA-N 430.266 -0.681 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1784090946 RNYRGSQEFFYASR-JIQZXMICSA-N 432.930 -0.632 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784349158 MXIIJBGGUPBOEO-KSFYIVLOSA-N 438.293 -0.662 50 20 IBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nn1C 1789401223 RCPWPKDHEKOJNO-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)nc2s1 1792975717 XGJQSAVSJQODOE-NDPMZMCLSA-N 427.914 -0.169 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nc1 1797751009 ZIIWZTYPFQCRSW-IVWMJMPLSA-N 440.460 -0.394 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC(C)(C)C)C2 1801012715 HAJPDOSPPWKSRO-ZSBFGKGUSA-N 441.529 -0.526 50 20 IBGD Cn1nncc1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1807300326 BEXMQUSNZLQLOX-UHFFFAOYSA-N 426.481 -0.028 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807598615 BMAZEJCJDXYYMN-BEFAXECRSA-N 449.475 -0.309 50 20 IBGD CN1CC(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)C1 1810308654 LOKLFHAKICEIOB-BEFAXECRSA-N 437.504 -0.039 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1822411019 WCUBYLHDWJEMED-STQMWFEESA-N 448.484 -0.627 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccncc1=O)CC2 1826089921 QSHOHQIJENGJNX-LBPRGKRZSA-N 447.521 -0.315 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830296911 OMIANGFKDUNGFL-NJSLBKSFSA-N 449.932 -0.044 50 20 IBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830733672 QXYTZGXZYLFNQD-KUHUBIRLSA-N 449.932 -0.044 50 20 IBGD O=C(Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834992869 VKGCCTINLJPOBH-HSZRJFAPSA-N 438.289 -0.321 50 20 IBGD CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835910768 ZDXGQMAYOUNTHL-SDHSVNELSA-N 448.524 -0.425 50 20 IBGD O=C(Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929316 KOGYXTBSTNQVMO-HSZRJFAPSA-N 438.289 -0.321 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)o1 1837448177 CQSJFGQHXFPJOP-FZKQIMNGSA-N 429.857 -0.092 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)no1 1837549990 HUISFOUFLSTIQJ-QGZVFWFLSA-N 449.291 -0.027 50 20 IBGD CC[C@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837913288 VLBKAJGJKAKCLG-FQEVSTJZSA-N 431.342 -0.023 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839081250 ZBSLCEMISMQZQB-UIVXKWKOSA-N 443.928 -0.557 50 20 IBGD NC(=O)c1cccnc1N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 726597703 WQWGATLMVDLVDY-UHFFFAOYSA-N 427.421 -0.328 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 728178494 IITOBYXBDNTWPO-AWEZNQCLSA-N 447.535 -0.366 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1C 729276726 LCESVEURZRCIAF-LBPRGKRZSA-N 434.540 -0.276 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2O)CCCC3)n(C)c1=O 755517605 PDIJRCPRNGAWMV-UHFFFAOYSA-N 426.433 -0.521 50 20 IBGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755611373 KKXFUUCOEQFDEQ-SNVBAGLBSA-N 446.507 -0.277 50 20 IBGD CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 761786911 SOFFVNYRGHADCY-UHFFFAOYSA-N 431.478 -0.866 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(C)c1S(=O)(=O)NC1CC1 764425667 QAARQADXJDVWNG-AWEZNQCLSA-N 440.478 -0.755 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 778436220 GBFXTOURJJHJAO-UHFFFAOYSA-N 428.467 -0.333 50 20 IBGD Cn1cnnc1COCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 815827806 OXXPZPCSLPYQKI-UHFFFAOYSA-N 435.916 -0.050 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)c1cn[nH]c1 919955477 GXHBNTWBEHODQC-UHFFFAOYSA-N 443.507 -0.627 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778010904 BXGLNBZKUHDRCL-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD O=C1NCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1778724038 VOBSUORHGLEGEP-QHCPKHFHSA-N 449.272 -0.633 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062763 QGMITRIKHDYCMG-YJYMSZOUSA-N 435.868 -0.213 50 20 IBGD COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933533 PNYCLZSPSLAAFI-NRFANRHFSA-N 433.509 -0.164 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1Cl)C2)c1ccc(B(O)O)cc1 1795732912 SCGGAQZVOZXQEA-XOIINTDNSA-N 429.669 -0.068 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795734509 QGLJIUZSLBAWMH-NKFKEYGXSA-N 445.281 -0.901 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2 1801012118 FXBACOMATQRONC-MFKICJERSA-N 442.520 -0.001 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1814523331 OZMRJPBBOHFUAH-RHSMWYFYSA-N 439.281 -0.078 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473976 JMSNKESJRFITOZ-BLLLJJGKSA-N 427.270 -0.093 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)O1 1824572157 FRFSPRWEPRHBFM-ROUUACIJSA-N 429.282 -0.292 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C(=O)O 1835753478 CZQGKKCOXVJAHS-MLGOLLRUSA-N 436.303 -0.710 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837595728 WCZUBUJTYMWNBS-KKSFZXQISA-N 434.298 -0.750 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1844692375 QCQBDVZPHHHNKY-HNNXBMFYSA-N 447.448 -0.070 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)NCc1ccccc1 725873247 LXKLMYKNXMSCAT-UHFFFAOYSA-N 439.519 -0.072 50 20 IBGD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1 728344036 WMWSZXMRVLVXCL-OAHLLOKOSA-N 438.414 -0.032 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1C 745977517 XWHQAQNXIVASDI-UHFFFAOYSA-N 429.480 -0.272 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 751302340 HZVBYLVYAGLUAG-UONOGXRCSA-N 433.490 -0.003 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 764299162 DQRCRWGUIAHGJD-UHFFFAOYSA-N 442.494 -0.008 50 20 IBGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 812980708 WOTCNYVEWTUACU-UHFFFAOYSA-N 439.472 -0.044 50 20 IBGD CS(=O)(=O)CCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915132541 BYJLTAJBKJSQLZ-UHFFFAOYSA-N 447.535 -0.778 50 20 IBGD O=C(NC[C@@H]1COC2(CCOCC2)O1)NNC(=O)c1csc(N2CCOCC2)n1 1341877050 QHMCGGCNCXTTQR-GFCCVEGCSA-N 427.483 -0.154 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028740 KGNLIUXNWMGENC-UTKZUKDTSA-N 430.509 -0.387 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1779373170 KGWIVLBMRUCNEP-FOIQADDNSA-N 443.464 -0.445 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781228195 ZCTNVZQKCLKNER-HOTGVXAUSA-N 444.279 -0.508 50 20 IBGD NC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1784927263 UQKSXGWOVYUEOG-JOCHJYFZSA-N 437.261 -0.777 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984987 GOTFNYVIWZIMGT-NDXORKPFSA-N 448.288 -0.079 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396540 DSAUQIRCDNNSNM-VOAKCMCISA-N 428.283 -0.326 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccn1 1794642908 SNTPNMQHSKXNHC-LVTGYEAHSA-N 425.449 -0.186 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440280 KERVVCDRWWQBGL-RILIKHADSA-N 447.496 -0.843 50 20 IBGD Cc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748654 QCPHBJXDXPUXTK-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799305243 XDLZVODKOZXABE-HGKCTWBKSA-N 430.266 -0.921 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825994925 QSWKRJIICSTMKI-RKDXNWHRSA-N 429.886 -0.139 50 20 IBGD O=C(O)CSCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826110444 KLIKTLRSLISSQE-LBPRGKRZSA-N 449.319 -0.134 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830543251 OAUAACUSBTUWDQ-WSMBLCCSSA-N 434.331 -0.803 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833409434 AYJWORWBTSATIW-BZNIZROVSA-N 431.287 -0.021 50 20 IBGD Cn1cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833908041 SCZMMFSKAZSBJB-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315481 DJLNUANLVVYSIL-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949745 YILFLBYENAAYIN-KSSFIOAISA-N 442.856 -0.501 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1840369689 LLCFAWFRWVWRAL-HXUWFJFHSA-N 437.497 -0.645 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551272 SVFVNRBTIPRDSF-CJNGLKHVSA-N 426.919 -0.869 50 20 IBGD NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840645770 LPPJAZQLGFWZQZ-BEFAXECRSA-N 425.869 -0.545 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1846385825 BAIPPHGGCSYYAR-UHFFFAOYSA-N 428.537 -0.040 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 754882850 GQXMFTGIQOLNLG-VXGBXAGGSA-N 432.499 -0.916 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 764317732 PBUABMPZNMPKAZ-UHFFFAOYSA-N 442.494 -0.008 50 20 IBGD CCc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]c(C)c1C(C)=O 766643037 JHUNDQYINYXLDO-UHFFFAOYSA-N 429.437 -0.704 50 20 IBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766661782 ZBJHJFPNNMUYRI-UHFFFAOYSA-N 448.911 -0.455 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 769147633 QKAVZQJFDKSJMZ-CHWSQXEVSA-N 434.515 -0.080 50 20 IBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2=O)cn1 1318623722 QHDIHZMMLAXVDG-OAHLLOKOSA-N 427.469 -0.438 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1777864915 QFTOCNJOOYIDHO-OXJNMPFZSA-N 436.896 -0.080 50 20 IBGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc2nccn12 1782356572 IBCYNWSUAHHNFF-NRFANRHFSA-N 443.508 -0.146 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783156055 ABNOHFHLOKZKHN-IGXPZRBNSA-N 430.465 -0.914 50 20 IBGD CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788488393 VORJZPGKJNUBSM-LNVLOAEVSA-N 436.339 -0.882 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1813034458 MISHRXSBHJRTJX-AOIWGVFYSA-N 442.944 -0.372 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830358357 TZBRMZTYFOSFJO-HXUWFJFHSA-N 438.717 -0.299 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1830358583 PMNWUCYJWFWSJY-SGTLLEGYSA-N 430.889 -0.694 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640093 KCCPMLDDZCDEJS-BLLLJJGKSA-N 432.319 -0.934 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835747215 JITHCTJXCIZJGV-AFAVFJNCSA-N 439.340 -0.728 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839106088 VKPAAFHVXHMVGD-HLIPFELVSA-N 446.976 -0.668 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839963467 LEZIOOONZMAPFZ-CXAGYDPISA-N 446.346 -0.544 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1)NC(=O)NCc1ccccc1 1845066337 AEHILNVIWIOIAV-ROUUACIJSA-N 444.536 -0.741 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C[C@@](C)(O)CC(=O)O)C1 1846380708 YNIMWXREASDWKB-PPRFWAEMSA-N 433.465 -0.060 50 20 IBGD CN1CC(=O)N(CCCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)C1=O 744620636 JCTVRNYMDCWQSN-UHFFFAOYSA-N 439.494 -0.175 50 20 IBGD C[C@@H]1CN(Cc2csc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)C[C@@H](C)O1 755474831 PWPRRRNPQWOERE-GMTAPVOTSA-N 434.544 -0.157 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1cnc2ccc(Br)cc2c1=O 758033988 DKQOEYAZYHHBCI-QMMMGPOBSA-N 446.283 -0.756 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn(C)c1=O 763528786 ARVGCBFTVOHYRB-UHFFFAOYSA-N 440.504 -0.008 50 20 IBGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 763920738 CHQOGUSHHFJKSO-UHFFFAOYSA-N 449.475 -0.186 50 20 IBGD COc1ccccc1C/C(C)=C\C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639418 PULUBTOTYUUBOO-RAXLEYEMSA-N 440.460 -0.221 50 20 IBGD CCN1CCN(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 766651067 LTSJMYNTMLCMII-UHFFFAOYSA-N 430.553 -0.381 50 20 IBGD O=C(COC(=O)[C@H]1COCCN1CC(F)F)NNC(=O)[C@H]1COc2ccccc2O1 786953255 YGIWCIREGZUPEN-BXUZGUMPSA-N 429.376 -0.517 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 787886416 OBGJQVJHRKNNFG-GHMZBOCLSA-N 444.514 -0.167 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)cnc21 788496452 PDGKHYDIRFHWPB-ZFWWWQNUSA-N 445.457 -0.084 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(O[C@H]3CCOC3)cc2)n(C)c1=O 788761976 OTNWELPHSZHOEK-AWEZNQCLSA-N 442.432 -0.937 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1N 800234175 CTARINYTHJVNNH-UHFFFAOYSA-N 434.474 -0.211 50 20 IBGD CCNC(=O)N(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801185281 QUETVINSIXMOFG-UHFFFAOYSA-N 429.474 -0.015 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815268619 MAROOLKGRMZZNS-SNVBAGLBSA-N 448.885 -0.432 50 20 IBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2=O)cn1 1318579648 ZJENBZDFUWCZSK-GFCCVEGCSA-N 434.482 -0.537 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1779028772 OVGPRMKTRGOKOV-IBGZPJMESA-N 445.867 -0.114 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783337158 ZKTDEOSGXLAGDB-NZQKXSOJSA-N 438.289 -0.587 50 20 IBGD COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783934218 CMCFDFIXDUCFKN-OAQYLSRUSA-N 447.492 -0.315 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3)C[C@@H]21)c1cccc(B(O)O)c1 1786983935 GKVWMLYZYNGEFK-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD Cc1noc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610378 OIUAJAPECXTRKH-RCBQFDQVSA-N 443.464 -0.787 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2[nH]ncc12 1796156714 JIOPTWMEPHWZTC-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011240 CVVFJOWLKCKGOG-BKEDOTJMSA-N 433.513 -0.760 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1825993131 DRTCNQCJROUOCR-NRPADANISA-N 429.886 -0.093 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1831641164 WJHPSXMOXJKCOF-ZJNRKIDTSA-N 430.889 -0.552 50 20 IBGD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cc1O 1833410125 WJNRXZUEKOQOJS-IUODEOHRSA-N 435.250 -0.114 50 20 IBGD Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834214757 KDNAHGJHFLSIKQ-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1835933957 KEUZZHHIQWXDBD-VGOFRKELSA-N 441.293 -0.501 50 20 IBGD O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)c2N1 1839572464 YGTMQGSWTGZREF-YWZLYKJASA-N 437.880 -0.149 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664730 FTZWYJASBTYUMU-DYVFJYSZSA-N 443.298 -0.517 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188249 ZAKRYFHSEUBLBN-INIZCTEOSA-N 445.263 -0.709 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190660 GXTXZIOKZUJIRQ-CVEARBPZSA-N 427.281 -0.138 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840485040 XVXMXBBFMBJYCB-IFXJQAMLSA-N 427.885 -0.082 50 20 IBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 27146155 WOKZPIUXUHVTNN-UHFFFAOYSA-N 427.460 -0.179 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 725741147 MQDSDJVKWANVNH-UHFFFAOYSA-N 440.503 -0.136 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 728384861 QMXYOLKZVHGBSR-ADLMAVQZSA-N 438.462 -0.956 50 20 IBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn[nH]3)CC2)cc1OC 729455914 GQLYOUVVEBTQRJ-UHFFFAOYSA-N 438.466 -0.316 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 748278759 FINOHYTXTZBBQV-HNNXBMFYSA-N 432.414 -0.607 50 20 IBGD COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 749551828 QCIZHPVACKZJIN-VDERGJSUSA-N 434.405 -0.219 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763807646 DNWAYZVJGKXHFN-UHFFFAOYSA-N 441.448 -0.748 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCCCC1 764204105 OTRRLYUKTXLEJZ-UHFFFAOYSA-N 441.510 -0.483 50 20 IBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772193659 YKQLHLLVZRTMLU-UHFFFAOYSA-N 427.870 -0.004 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 779844554 LDQRAIASIPPBIW-UHFFFAOYSA-N 435.256 -0.001 50 20 IBGD CN(C[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1)S(C)(=O)=O 805044349 OPMBHRZTUAABDF-LBPRGKRZSA-N 431.540 -0.178 50 20 IBGD NC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)nn1 810512271 PFXIDRJSVJJOGX-UHFFFAOYSA-N 429.256 -0.240 50 20 IBGD NC(=O)C(=O)NN=Cc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O 818206970 WEUXQNQTYRYERT-UHFFFAOYSA-N 435.429 -0.243 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1779031279 QDHKINBRMJVQEO-SFHVURJKSA-N 431.478 -0.519 50 20 IBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1779268366 IFKHDIIKSBHBTF-KKSFZXQISA-N 433.509 -0.388 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)ccn1C)C2 1782212121 IRZVHICQLMZGAV-XMSQKQJNSA-N 447.536 -0.114 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)nc1F 1792374077 UVKDBKYLTCAAAV-FVCICTRLSA-N 431.204 -0.443 50 20 IBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1795112788 PUHIYXMIDLZXIN-DDFAGTSDSA-N 428.220 -0.914 50 20 IBGD O=C(COCc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795423441 TWTSCEYYYHQAGZ-HATOLVCRSA-N 438.289 -0.214 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795732529 QVKGOXOPKILXGB-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751647 LORYSHRYCUHHGP-DLTLXFJOSA-N 431.493 -0.539 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1797752919 MEWHTDSZJIOANL-FVCICTRLSA-N 426.433 -0.697 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800672517 SQIOBIZNRDHVJB-JLVBRIDZSA-N 447.297 -0.906 50 20 IBGD Cc1nccn1CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012288 SQYXEUUZDVXCKX-UPHUGPLXSA-N 434.541 -0.066 50 20 IBGD Cc1nccn1CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801312268 CYRFBJMSUPHSEH-UPHUGPLXSA-N 434.541 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnccn1 1801409387 FVEOYEXWNBWDGO-HBCWATKFSA-N 439.476 -0.689 50 20 IBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830725881 MQULYOSMCUSAOQ-DNVCBOLYSA-N 427.885 -0.311 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831516985 ANJKSVOOHAIRIF-QSFXBCCZSA-N 428.530 -0.777 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1831641153 WIYAOYZZRWIULT-UGSOOPFHSA-N 430.889 -0.598 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640096 KCCPMLDDZCDEJS-WBMJQRKESA-N 432.319 -0.934 50 20 IBGD O=C(c1cccc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931330 MTTZWMAGEHWHES-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934334 VUHQLUJUMKLAIP-HXUWFJFHSA-N 438.717 -0.299 50 20 IBGD CC(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836750969 ZMPIDBDFJLJSEZ-HXUWFJFHSA-N 432.326 -0.005 50 20 IBGD CC(C)(C)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457947 XVIXFFQZEDXMOF-OAQYLSRUSA-N 448.524 -0.857 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1837648772 UJAHIHCUMDYOMK-RLFYNMQTSA-N 429.905 -0.376 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838792251 XDAICZJPNTXMKJ-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840030729 UZZRMKHKIPTZHL-BLLLJJGKSA-N 435.319 -0.503 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841827897 IGFXUTISHGMXSZ-UHFFFAOYSA-N 426.367 -0.082 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842217037 FJKDNCBXNAUOAT-UHFFFAOYSA-N 425.405 -0.696 50 20 IBGD O=C(NNC(=O)c1ccc2nncn2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 116418413 FNINHXMFDFEMCR-UHFFFAOYSA-N 430.446 -0.175 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 756287883 YHPYSEAHIPUOKV-GFCCVEGCSA-N 447.539 -0.048 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3ccc(C(N)=O)nn3)CC2)cc1 757402948 QWDFLAKNLLWVIT-UHFFFAOYSA-N 433.494 -0.666 50 20 IBGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)c1cccnc1 763815482 VQGWVFAKPHRHCR-UHFFFAOYSA-N 430.446 -0.912 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 764204723 YESFVHKJJXKGPQ-UHFFFAOYSA-N 447.901 -0.992 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 767373424 MOGHBUAACTUXTJ-CYBMUJFWSA-N 437.478 -0.671 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115551 FBIZKXFIXAKQJA-SGTLLEGYSA-N 426.470 -0.273 50 20 IBGD C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 817052988 YHWNEHRDOUEIQX-ANZHMPLFSA-N 436.490 -0.069 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 914459795 MRFRDTILFPTGGE-UHFFFAOYSA-N 446.485 -0.044 50 20 IBGD COCCNC(=O)CSc1ccccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317939216 HIRPRAUFIFCFLN-LBPRGKRZSA-N 429.520 -0.263 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779294350 PFNYMJDCURXVPL-RHSMWYFYSA-N 435.619 -0.004 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331397 ODJDSFZMKXQJIU-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784488004 DHXISYQCEFMJON-ZHRRBRCNSA-N 439.277 -0.328 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793945149 IHKYVJUBXFRWJR-OOTJXSFTSA-N 431.287 -0.652 50 20 IBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nn1C 1797748447 BOPPQONWOKXBLA-HBCWATKFSA-N 441.492 -0.827 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1800973570 FUVIYDDRBGVZAK-LMWOUKEDSA-N 445.925 -0.058 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366243 XYQVMMJAIQJALX-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccnnc1O)CC2)c1ccc(B(O)O)cc1 1815343752 NKJMTQVTVQYOEO-GFCCVEGCSA-N 439.262 -0.142 50 20 IBGD CN1CC(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)C1 1835737439 VBKJZRNYPFNSQR-UHFFFAOYSA-N 443.552 -0.568 50 20 IBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459875 NQAGUZHDYBXBNM-XMDBHEJHSA-N 431.493 -0.199 50 20 IBGD NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920070 ISCTXQGSIIFGNV-UHFFFAOYSA-N 431.298 -0.756 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838474611 JWSAFBBFIIZZEO-SCLBCKFNSA-N 427.841 -0.520 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839155077 HUPKCDRGBIZZTM-ZWKOTPCHSA-N 447.319 -0.064 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840153459 OWLBHLFTUKKHJG-NEPGBVGISA-N 429.901 -0.469 50 20 IBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840182638 OTQUZEMABOMLKS-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CCN1 1840227918 BUCXVPLPLXKHSO-CXAGYDPISA-N 432.315 -0.246 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(=O)c1ccccc1 1843013257 ZPJDXTBJIWVUSV-UHFFFAOYSA-N 435.289 -0.044 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1846383866 CWBCTOWANTYOLZ-CQSZACIVSA-N 441.529 -0.552 50 20 IBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])cc1OC 730568982 IGZBYXJTLMBYGF-UHFFFAOYSA-N 438.422 -0.353 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 740812404 HQKBFCBKMIGTKM-LLVKDONJSA-N 440.478 -0.262 50 20 IBGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 764137101 YWXMAIXACNKCRQ-UHFFFAOYSA-N 425.445 -0.040 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H](c2ccccc2)n2cccn2)n(C)c1=O 766639088 LXAIHXFJSGCYAA-OAHLLOKOSA-N 436.432 -0.933 50 20 IBGD CS(=O)(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664164 OPGOWOAENZUHMH-UHFFFAOYSA-N 431.946 -0.456 50 20 IBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)nc21 770966490 LWXMLSBHDVMYOI-ZDUSSCGKSA-N 446.512 -0.089 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 773544630 ALGADZDCMOZUDI-MRVPVSSYSA-N 447.311 -0.039 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(N2CCNC2=O)cc1 782252255 JTPQXKOYBKLCJB-UHFFFAOYSA-N 438.448 -0.496 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCn2nc3n(c2=O)CCCC3)c1 916649444 DEGLYJJMVFWDOT-UHFFFAOYSA-N 436.494 -0.181 50 20 IBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@H]1CCS(=O)(=O)C1 1343776193 YRCDEUPIXKTCDV-LBPRGKRZSA-N 436.581 -0.142 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)c1n[nH]c2c1CS(=O)(=O)C2 1787151805 YYXJDTNGHXBTPY-XYDQJSOLSA-N 434.877 -0.034 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(F)F)n1)C2)c1ccc(B(O)O)cc1 1795734102 COZUKRQMPSOFIB-YWVIFJGQSA-N 434.208 -0.525 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797829282 KKYKKESAGPZVAM-OQMKEHIESA-N 428.873 -0.444 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ncccc2[nH]1 1799890827 NIEPIGODTGFDAZ-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801021401 MIPGQSHZYFYDGJ-ZMJPVWNMSA-N 432.308 -0.150 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807604846 XHIPGLYIZCRKJQ-OXJNMPFZSA-N 428.497 -0.248 50 20 IBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cnnn1 1815361521 IISWABJSPULHBE-ZWNOBZJWSA-N 441.282 -0.704 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815681940 BLBPRHCJJHJKIW-VIFPVBQESA-N 442.465 -0.946 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1830538637 LRHFNAYWDJETIP-CZUORRHYSA-N 430.303 -0.235 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830728190 QCIHVNBERAKXTA-SCLBCKFNSA-N 444.872 -0.632 50 20 IBGD Cn1nc2c(c1C(=O)N1CCOC[C@]3(C1)CN(C(=O)[C@@H](O)CCl)CCO3)CCC2 1830736380 SHJUOGGBAVYRNT-HNAYVOBHSA-N 426.901 -0.422 50 20 IBGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)(C1)C2 1840004606 HMXDNVIGRHEMSH-CYBNEDPLSA-N 430.885 -0.614 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359652 PSQJSSBDDDPXFX-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840587632 FDNSXJKXWHSGFS-VGOFRKELSA-N 446.309 -0.747 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)NC(=O)NCc1ccccc1 1845039468 RSFJOEOPRQGINX-UHFFFAOYSA-N 427.461 -0.376 50 20 IBGD COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cnnn2)c1 725896546 KXESJDZNAJAKOF-UHFFFAOYSA-N 431.434 -0.056 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOC[C@@H]2CCOC2)cc1 731763406 WTZWTPFTFMAXND-OAHLLOKOSA-N 428.511 -0.001 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C 742034255 KWWSLWFUHCLICN-LBPRGKRZSA-N 447.521 -0.019 50 20 IBGD COC(=O)c1cn([C@H]2CCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)C2)nn1 760887950 XPDRJQHLLYRELR-ZDUSSCGKSA-N 432.437 -0.210 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763717295 VIUGGDWDDUAYLT-UHFFFAOYSA-N 428.449 -0.111 50 20 IBGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 763875764 AMGCLNRSXGMKBB-WDEREUQCSA-N 434.902 -0.335 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCn3cccn3)CC2)cc1 766636722 SJSZXZVLSUFIPS-UHFFFAOYSA-N 434.522 -0.264 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCc1ccccc1O 771013160 QVGCRPSLQBARHZ-LBPRGKRZSA-N 434.474 -0.062 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(OCC(=O)N(C)C)c1 784001881 FRSQHOSVDGUFNJ-UHFFFAOYSA-N 445.432 -0.429 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797730357 OTXIRUIWMMWUSO-LJQANCHMSA-N 440.522 -0.106 50 20 IBGD COc1ccc([C@@H](CNC(=O)NNC(=O)C(=O)NC2CC2)N2CCOCC2)cc1OC 915895344 LALSLSXZAZAONL-OAHLLOKOSA-N 435.481 -0.314 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778161815 OJGBWEMYVYBPLD-IBGZPJMESA-N 425.486 -0.968 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781634119 JTYXZWDFAKXVTE-NRFANRHFSA-N 428.225 -0.032 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782176016 UJJBTRLRCIIJBE-SCGCMHLBSA-N 435.905 -0.181 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H](O)c1ccco1 1783560766 BNRPCWRZAKREIF-OYSPMZIOSA-N 428.250 -0.714 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H](O)CCl 1792978537 YXIXYLSTGXHOIV-VLWCASSMSA-N 434.880 -0.031 50 20 IBGD C[C@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)n[nH]c21 1795734598 UOTAOZWVXOVMNJ-FIIQBIKZSA-N 438.293 -0.344 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2cnccc2[nH]1 1797517930 UXKBWDLMUSFPTR-CWPLJXCYSA-N 434.261 -0.240 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1801011159 JKDBBPNLBBWZKI-VQQMMKBISA-N 443.548 -0.337 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972138 CDGWNFNVZWFZAT-UHFFFAOYSA-N 436.339 -0.354 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1810304296 BYGVOWRHPDCIJB-BEFAXECRSA-N 442.476 -0.591 50 20 IBGD O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccc[nH]1 1830725048 DBMDKGPYUYUIGC-BEFAXECRSA-N 442.900 -0.809 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016432 FOBYHQLHRZDMJO-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839079530 CMMIUUWOKSGAGS-AYMQEEERSA-N 434.331 -0.661 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc(O)n1 1840184042 OUDGMEMNNWRAFW-NRFANRHFSA-N 449.508 -0.461 50 20 IBGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 726277728 QFPUSAQTIVRFLT-MRXNPFEDSA-N 443.508 -0.180 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 744641851 GESKFLMXCYSTGI-WFASDCNBSA-N 442.450 -0.442 50 20 IBGD Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NNC(=O)[C@H]2COCCO2)CC1 745997675 BVKRNIBUJCGADL-CYBMUJFWSA-N 431.471 -0.856 50 20 IBGD COc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 755374068 OEBGTGYAKDDWOM-UHFFFAOYSA-N 431.409 -0.696 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756791832 XQWAZMYTGQYUOI-AAEUAGOBSA-N 440.478 -0.045 50 20 IBGD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758035685 NJRRZIUBVWJXCD-BLLLJJGKSA-N 437.522 -0.064 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764427743 BFCLCGNXWDICDJ-OAHLLOKOSA-N 440.478 -0.638 50 20 IBGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764428423 HRRIPWCQYXGKDY-OAHLLOKOSA-N 442.494 -0.392 50 20 IBGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764433456 NOIPCYZSFUUSAK-CQSZACIVSA-N 428.467 -0.734 50 20 IBGD Cc1ccc(Cl)c(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765727062 JEOXIMFNJIXTIU-UHFFFAOYSA-N 434.840 -0.378 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n(C)c1=O 802762421 GAGOAQQJEUGRQZ-UHFFFAOYSA-N 439.407 -0.676 50 20 IBGD O=C(NNC(=O)c1cnn2cccnc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 828124492 LQOJPIJDVZRPGF-UHFFFAOYSA-N 430.446 -0.175 50 20 IBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916516678 NWRVQJYQDIDPAB-UHFFFAOYSA-N 447.539 -0.646 50 20 IBGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1319518583 ZYEUQKHIYHEPHS-UHFFFAOYSA-N 439.542 -0.163 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779559268 CEDPRQKSMSXEOC-WFXMFSGNSA-N 433.933 -0.095 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334472 OCRGWLRHYOUOEO-FZMZJTMJSA-N 425.324 -0.009 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791286509 GDRNOVJXAQSKEQ-QAETUUGQSA-N 425.530 -0.746 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732500 NBCOIHDKQVDZKU-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD CC(C)n1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751588 JXQQEWHLUZXVNP-ZSBFGKGUSA-N 441.492 -0.021 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797942078 REISPFAVDKTRSR-ZRTBGNQHSA-N 444.492 -0.599 50 20 IBGD N=C(N)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925469 MRANEESVHDYIDZ-INIZCTEOSA-N 430.513 -0.599 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576768 QITHQHMFYSUVHB-MQIPJXDCSA-N 434.287 -0.275 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833315999 MKJCLNUGDAIGDR-LIRRHRJNSA-N 440.884 -0.496 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835396179 QIHWMTREXAWFHZ-LJQANCHMSA-N 429.590 -0.374 50 20 IBGD CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCO1 1836272769 QUMGALQHIDEZEH-OAQYLSRUSA-N 445.476 -0.551 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839966222 YFRNHUHORBHJKB-LOUJCGABSA-N 434.331 -0.661 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)no1 1840188471 LWQQKRNVXZSOEY-KRWDZBQOSA-N 449.291 -0.027 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840560659 OCAGGBCJYPNTJU-VQYZLWMVSA-N 445.476 -0.119 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840818374 YQEWBTLYJPXZLA-OXJNMPFZSA-N 437.880 -0.007 50 20 IBGD COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n1 1844264169 OFRCMAAIYANZGX-UHFFFAOYSA-N 427.465 -0.341 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCNS(=O)(=O)c1ccccc1 725873769 QCIKGZRFRQJHAE-UHFFFAOYSA-N 425.492 -0.213 50 20 IBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C(=O)N1c1cnn(C)c1 745917490 JHAMYETVGOVUJX-IAQYHMDHSA-N 434.478 -0.038 50 20 IBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)CC2 750787251 HAQSHPFUYADECP-KRWDZBQOSA-N 425.493 -0.246 50 20 IBGD NS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cs1 760635699 MFVPMIBDRJHGEK-GFCCVEGCSA-N 441.443 -0.460 50 20 IBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 763662440 YJCOXOFOUXLKMP-UHFFFAOYSA-N 430.417 -0.015 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1S(=O)(=O)NC(C)(C)C 764425028 MRODHOWNKKQURS-ZDUSSCGKSA-N 442.494 -0.427 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 771278039 XXFTVGRGZMBHDG-HXUWFJFHSA-N 440.416 -0.357 50 20 IBGD CSCCNC(=S)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780987381 NLAFBTOBQLHGEX-YPMHNXCESA-N 436.556 -0.192 50 20 IBGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)s1 788054024 NCJLFRKWHOQVMS-UHFFFAOYSA-N 430.464 -0.021 50 20 IBGD CCS(=O)(=O)NC1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1323905680 OHJKUJJDNUWDFN-UHFFFAOYSA-N 446.555 -0.262 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778729219 QNYKQKVVMLYSCH-JOCHJYFZSA-N 443.504 -0.254 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1778857392 JEBOWASJCQCFMZ-UVLLPENVSA-N 427.310 -0.850 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1779029154 MAEQJHYMSVMBHF-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD C/C(=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)O 1783155572 BDQNYEXECXXJDR-PYPVROSNSA-N 430.266 -0.475 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCC3)C[C@@H]21 1788611344 VIZAKFVLISMPRY-SNRMKQJTSA-N 444.536 -0.236 50 20 IBGD C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788726139 BFHUMXPKLOYJNA-QZWWFDLISA-N 435.529 -0.733 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1791055118 JSWHMTYVVWIJCU-RHYQMDGZSA-N 431.287 -0.699 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNc3ccccc31)C2)c1ccc(B(O)O)cc1 1795734805 SDLXSCCOJCSPJJ-MNDZRTMASA-N 435.289 -0.221 50 20 IBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798103862 OAZPCEJVQRHNBY-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803137938 FFZJMZIGTIFMND-JGGQBBKZSA-N 445.867 -0.268 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347993 AOLYEBXCFDYZQM-IINYFYTJSA-N 430.295 -0.427 50 20 IBGD CNCCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797922 LXLISSIAKGWDKM-UHFFFAOYSA-N 430.358 -0.449 50 20 IBGD COC1(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CCC1 1835939606 BQISMGWQJFONAI-QFIPXVFZSA-N 446.309 -0.604 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1835939812 JCNZPSHYMXVIQH-VGSWGCGISA-N 441.293 -0.501 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836130153 JAPSCMKERQGSAO-LIRRHRJNSA-N 443.884 -0.280 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C3CC(O)C3)CC2)CC1 1836682140 MZOUFCVLDDFQDK-UHFFFAOYSA-N 430.310 -0.251 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1cncn1 1840420629 PYMSKUIRUCLEQF-TYNCELHUSA-N 434.266 -0.014 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nnnn3C3CC3)nc2)CC1 745910255 RKQDMCJKRHJGDH-UHFFFAOYSA-N 436.502 -0.835 50 20 IBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C(=O)N1c1cnn(C)c1 745918368 NXPABBOEWVDCFA-IAQYHMDHSA-N 438.448 -0.195 50 20 IBGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1=O 758044499 MGJYTGHKZRXFLX-VHSXEESVSA-N 432.886 -0.213 50 20 IBGD COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1OC 764433326 MIPMVFRADFLDDF-MRXNPFEDSA-N 447.448 -0.242 50 20 IBGD COC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 765368382 XOQOGTPCAJTYDS-NSHDSACASA-N 442.450 -0.414 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSCc2ccc(C#N)cc2)n(C)c1=O 765730451 KGKBNFIFFLZDHM-UHFFFAOYSA-N 441.473 -0.614 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)n3cccn3)CC2)cc1 766635634 BHUXCMZEMAUIEQ-MRXNPFEDSA-N 434.522 -0.094 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)[C@H](C)O)cc1 779522136 SENZUQCMWOAEJN-GXFFZTMASA-N 435.466 -0.452 50 20 IBGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)cnc21 802067172 ODZKMJLOAXEPTN-UHFFFAOYSA-N 432.418 -0.096 50 20 IBGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 818787328 BJXGFJJPFVNCPX-UHFFFAOYSA-N 444.495 -0.189 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779430295 QGNOYSXVOBWCJC-IBGZPJMESA-N 430.657 -0.433 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784474454 JDNOUHXLLMZFTM-HUQHNKPVSA-N 442.480 -0.197 50 20 IBGD Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c2ccccc21 1792981662 OSIARZUUDLDXGY-VLWCASSMSA-N 436.896 -0.471 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)F)no1)C2)c1cccc(B(O)O)c1 1795738851 IZLNPEPVRAPMOF-DRXBFXEBSA-N 435.192 -0.191 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443980 SXXAFARBNLZAFA-VOLWHKNWSA-N 444.492 -0.250 50 20 IBGD N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362719 HOVUQPYUDZZTLQ-YJBOKZPZSA-N 441.322 -0.292 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373436 RWSMCUDMHOWPNQ-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813070394 GTOPGAPTBLRFAU-RZQQEMMASA-N 430.509 -0.261 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723477 OCJLVXZRPFVFPM-URLQWDBASA-N 426.901 -0.062 50 20 IBGD O=C(c1ccc2c(n1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727673 ASBHUNODJXICJB-LIRRHRJNSA-N 441.868 -0.478 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1831646497 MCSZAVCUITUQFH-BBRMVZONSA-N 441.849 -0.425 50 20 IBGD Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1C 1831975366 IYULSAZMDUQDHK-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1835937401 UENLXPNOWGRARN-FQEVSTJZSA-N 448.668 -0.003 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840152463 JBWPZZMUOLBIDX-ABSDTBQOSA-N 440.928 -0.338 50 20 IBGD O=C(CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NNC(=O)c1ccccc1Cl 735493455 PXEREXXREJRAHW-GJZGRUSLSA-N 430.914 -0.812 50 20 IBGD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 755237178 BDHUQGFJLCRMBV-ZDUSSCGKSA-N 445.498 -0.877 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)cc1 758829140 XEYWWDCBFCLUBD-HXUWFJFHSA-N 440.416 -0.357 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 764225565 AFVLXPBNLSYQDN-GFCCVEGCSA-N 447.473 -0.038 50 20 IBGD CO[C@]1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCOC1 764805431 PXIKSRCTXBIXRN-KRWDZBQOSA-N 428.515 -0.551 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(CN3CCCC3)cc2)n(C)c1=O 766636479 NOEPRPXGSDMNOU-UHFFFAOYSA-N 439.476 -0.509 50 20 IBGD CSCCNC(=S)NNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 769765050 JHRSQXKITSFBQZ-UHFFFAOYSA-N 434.613 -0.012 50 20 IBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(=O)c1 790483114 IYENUPPDQQDCIY-LJQANCHMSA-N 435.506 -0.030 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)cc1OC 790692692 ZLIROIAVHFFEGT-NRFANRHFSA-N 447.444 -0.071 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 794599031 SVFLKRUCSQXZMU-UHFFFAOYSA-N 431.434 -0.102 50 20 IBGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)COc1ccccc1O)C(F)(F)F 805769138 LGVHHOKBTMLTEQ-LLVKDONJSA-N 428.389 -0.076 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 808257310 CKSJWUGYROKVAL-LBPRGKRZSA-N 427.483 -0.456 50 20 IBGD NC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nn1 810510956 FWOINCQALFEMLU-UHFFFAOYSA-N 434.356 -0.104 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912953134 QJKPYBDMSTZRNV-SCRDCRAPSA-N 427.454 -0.224 50 20 IBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 918551751 GRBRDZYZDSSJIC-CQSZACIVSA-N 446.551 -0.240 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC=O)C1 1780722982 JGJQCMUBRIBQID-BXOIWHIWSA-N 446.508 -0.231 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781395979 GDCONVHYCQHLTH-XOBRGWDASA-N 432.481 -0.071 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784577747 IRZUKXWJPAMAJE-VOCWPHPLSA-N 446.464 -0.792 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982683 DCFFNXHCNBXADY-WDSOQIARSA-N 445.325 -0.878 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786983757 ZHWNRMDRWXDIHX-UBHSHLNASA-N 432.179 -0.140 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cn[nH]c2cn1 1797582706 LFQVTSQZDIGMFG-HBCWATKFSA-N 429.481 -0.466 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1799279136 ADAJCRCWVHYXKB-IARIHHJXSA-N 426.341 -0.901 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ncnn2C)[C@H]1c1cccnc1 1805282894 MZYWFJQVZDCQCP-MAUKXSAKSA-N 428.497 -0.097 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1813072037 ZDUPIJJHQRWORS-OXQOHEQNSA-N 428.497 -0.248 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cn2nccn2)CC1 1830430409 XKJOWFYAUHWXSW-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830727980 MIXZDTDUPFEZPJ-HNAYVOBHSA-N 440.884 -0.290 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832684586 GLVRTGRMRVRRLM-KZULUSFZSA-N 430.889 -0.694 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152431 HXZIFSRGKYANIN-BEFAXECRSA-N 444.916 -0.147 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840154806 HGTXZSNSYALQAV-SUMWQHHRSA-N 436.962 -0.819 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cnnn1 1840477918 UOUAZXCUWHUQOX-WMLDXEAASA-N 426.550 -0.458 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)c1cnnn1C)C2)NC(=O)NCc1ccccc1 1845038524 OAPZXBDXRQHZPI-UHFFFAOYSA-N 440.508 -0.022 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cnn(C)c2)c1 735522017 LMDDKPSSJQWRHX-UHFFFAOYSA-N 436.494 -0.358 50 20 IBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 746163567 PDGUMEQGYJCWJV-KFWWJZLASA-N 440.478 -0.724 50 20 IBGD COc1cc(Br)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 760515743 MARSLZYUKBTUPR-SSDOTTSWSA-N 430.302 -0.295 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 763272210 HBZRATLIVKOTGR-HNNXBMFYSA-N 434.416 -0.253 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572273 QFQMMIHQCKRKCE-HNNXBMFYSA-N 434.430 -0.479 50 20 IBGD COc1cccc(C[C@@H](C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n2nnnc2C)c1 816878570 URQCRLXZKVCFGW-HOCLYGCPSA-N 425.453 -0.225 50 20 IBGD O=C(NNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N[C@@H]1CCS(=O)(=O)C1 919886543 SIRGHLWNXJUSDK-CYBMUJFWSA-N 425.442 -0.178 50 20 IBGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 1317700871 XFOVNQFLVPWXMT-UHFFFAOYSA-N 425.492 -0.281 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1cncn1 1782528721 JGGKSPFUBLWJAP-FQELHTAISA-N 441.297 -0.653 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1OC 1783934714 GNDOVQQZFNQYPM-NRFANRHFSA-N 449.508 -0.085 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1792868704 LQZBKBVXOXARJD-JRATXPSKSA-N 442.310 -0.078 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736847 NGPFTLQUANZGTQ-DNVSUFBTSA-N 425.088 -0.647 50 20 IBGD CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)no1 1795737354 VIIURTJJJXABKZ-CCWDJLKJSA-N 442.281 -0.681 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)cn1)C2 1796440600 UJGMYRFKWOTNBS-ZPHZMXASSA-N 441.492 -0.085 50 20 IBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)no1 1797829614 YLGTUSVXRRBOAZ-RDBQEKCUSA-N 447.261 -0.007 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc(Cl)n1 1798078665 JUQAVNYSUOECRH-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD COC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060560 QDLIJSJDEJLXGG-SFHVURJKSA-N 431.298 -0.044 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830538219 YKQLWXASRCCCBW-YJBOKZPZSA-N 448.358 -0.194 50 20 IBGD Cc1ncoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834363596 CILIIZKBJRDZRA-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CC(C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800295 CLHUTDXRTBHPDL-HXUWFJFHSA-N 431.342 -0.432 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823107 JJCQHWONWQSCAO-CXAGYDPISA-N 432.315 -0.082 50 20 IBGD O=C(c1ccsc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929513 SINCOLPVRIWLHU-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1835939915 NMRQWSYILQRKQK-IPELMVKDSA-N 440.664 -0.639 50 20 IBGD O=C(c1cc(CO)on1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838805072 GOIJMPZGKDANEB-DOMZBBRYSA-N 436.234 -0.073 50 20 IBGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182315 GRVAFUGUGIULRO-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc1 1840183767 YUHPPDFJBRQJRE-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185184 MDYAZFXACJVXKT-YWZLYKJASA-N 426.514 -0.569 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498311 BZRQPRMGIKDGPN-OAQYLSRUSA-N 449.508 -0.841 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 728453987 GJSKTNMOSZKHDK-IBGZPJMESA-N 444.536 -0.527 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)COc2cc(Br)ccc21 729274705 AVZUQFQASIHZFJ-QMMMGPOBSA-N 449.283 -0.740 50 20 IBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 731957230 GERFQXLKGGMWDJ-ZWKOTPCHSA-N 432.477 -0.313 50 20 IBGD Cn1cc(C(=O)NNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cn1 735509178 BHKCAJPSPWHVEL-UHFFFAOYSA-N 436.494 -0.274 50 20 IBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744622567 ZOMDFGIZIRMPOW-UHFFFAOYSA-N 427.527 -0.393 50 20 IBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763571096 KIOBWKHQQRRBPM-CQSZACIVSA-N 438.393 -0.601 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 763619296 RCHHTKPNNWCCQV-UHFFFAOYSA-N 426.433 -0.509 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 764227424 NXEHTVMTDCOEEN-QMMMGPOBSA-N 426.373 -0.349 50 20 IBGD C[C@H](CCOc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729302 WFHRTBOPPHGDLW-CYBMUJFWSA-N 428.449 -0.314 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2noc(-c3cccc(F)c3)n2)n(C)c1=O 766640691 VSURQXRNNPFJHA-UHFFFAOYSA-N 442.367 -0.916 50 20 IBGD CN(CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O 766663051 IXIXUHRGHJCYDR-UHFFFAOYSA-N 431.946 -0.504 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O 771239557 AEGABUYNWMQNBR-BBATYDOGSA-N 438.462 -0.956 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786998986 LYAVOIXUXZIUHM-HOTGVXAUSA-N 426.514 -0.175 50 20 IBGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC1 789845904 PZSZYQFNWOWKSM-IRXDYDNUSA-N 429.477 -0.277 50 20 IBGD C[C@@H](CN1CCOCC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916471067 ZOQJKBPVKHIIPD-HNNXBMFYSA-N 441.558 -0.636 50 20 IBGD COc1ccnc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1779533133 PRWHGTCOZJOWGZ-OAQYLSRUSA-N 425.250 -0.473 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)[C@@H](F)Br 1780771239 XQHDXKDZRDYQAW-CKUKBARFSA-N 449.277 -0.257 50 20 IBGD C[C@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785437304 HJDLOBINJVIFJW-LQJIQPLVSA-N 440.309 -0.508 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793611335 KWUQVYNUXPLJHN-DPIQGUFMSA-N 428.283 -0.324 50 20 IBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1F 1794363747 ZKEZQDQEIWMWTI-JLVBRIDZSA-N 443.240 -0.574 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115806 LLGPAQMDNNUGLN-QHBPRCKVSA-N 440.298 -0.327 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c(c1)CNC2=O 1797548513 DUUCDHQODPYIAD-XEMDLRDOSA-N 449.272 -0.873 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(F)F)n1)C2 1797751823 TUZFKHWFRTVNHM-QHBPRCKVSA-N 449.418 -0.206 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363762 COJDSYQQUNNZMJ-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ncnn2C)[C@H]1c1cccnc1 1813070651 KHVXUICVFJJYFX-QAPCUYQASA-N 428.497 -0.097 50 20 IBGD CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724032 CHCKTSMFHPODEL-VQIMIIECSA-N 426.901 -0.183 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1830736852 WWEQQXOXMFIXTI-SQGPQFPESA-N 426.897 -0.354 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831340155 BMHLQSRFUUCFLG-OCCSQVGLSA-N 445.307 -0.432 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cc3ncccn3)CC2)CC1 1833878418 CMIBWLFOOWDVMZ-UHFFFAOYSA-N 445.568 -0.036 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715558 XKTDSQWNNIPYCC-KXBFYZLASA-N 427.574 -0.015 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837802915 LIEHTODAJTZBCE-OAQYLSRUSA-N 442.281 -0.910 50 20 IBGD COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](Cl)COC)CCO3)n1 1840152192 AOXXFRGDBSSUQG-DNVCBOLYSA-N 444.916 -0.147 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840156191 OSMRWUINVOZGND-KSSFIOAISA-N 428.873 -0.434 50 20 IBGD C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1(F)F 1840826008 ZCIDMCMBDAEKDD-MOPGFXCFSA-N 438.236 -0.518 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)cc1OC 105480432 CZFJGCBRVIZKLN-UHFFFAOYSA-N 444.404 -0.848 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Br)c[nH]1 746385693 JPWWHBNZJSFPAL-NSHDSACASA-N 428.287 -0.281 50 20 IBGD CC(=O)N(C)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756831849 BCMKATJALRZVSF-UHFFFAOYSA-N 442.436 -0.731 50 20 IBGD COc1ccc(Br)c(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 759787979 ZARLJVZZIFKQCX-UHFFFAOYSA-N 449.327 -0.204 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccnc1N1CCOCC1 763570753 FQPXWZYBVOEXIB-MRXNPFEDSA-N 427.417 -0.156 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1cccnc1)CC2 764269168 YWBAZPCXOWNUKS-UHFFFAOYSA-N 431.474 -0.341 50 20 IBGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1cc(C)[nH]n1 765586404 SUCWRADLBTUFNQ-ZDUSSCGKSA-N 437.478 -0.279 50 20 IBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)Nc2ccccn2)s1 772629732 GUQXJYAQENLXCB-UHFFFAOYSA-N 426.480 -0.301 50 20 IBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 777779056 CQNFAXCTIWPFJV-AWEZNQCLSA-N 437.316 -0.467 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)N1CCN(C)CC1 788167140 WECTZCCHFVTDDL-UHFFFAOYSA-N 441.510 -0.682 50 20 IBGD C[C@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCS(=O)(=O)C1 799671490 KFZPYPOMUBLIAJ-AWEZNQCLSA-N 426.467 -0.376 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnccn3)[C@H]2C1 1784247913 KBFDIRCMFDMJIR-KKXDTOCCSA-N 439.476 -0.689 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981997 LBAPHNBXEFSSKF-VMXMFDLUSA-N 443.353 -0.168 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786982690 DEWYUQKQSHYDAL-RNQOJCNYSA-N 430.310 -0.081 50 20 IBGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611423 APAYIMFAFJENCD-PXZKYJSBSA-N 433.509 -0.315 50 20 IBGD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)Cc1ccccc1)C2 1796342571 KSZAIKPISKOOBU-BPKGMFCQSA-N 439.354 -0.132 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nnc1C)C2 1796440680 XSUQFWOBJHKMRK-HKENYVDXSA-N 428.453 -0.550 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443939 QTPATVYLHQFRNV-WVZOWNPESA-N 432.481 -0.765 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2)[C@@H]1SC(=N)NC1=O 1796878199 QXODKEDEKYWUPH-DJUFWWRVSA-N 438.554 -0.200 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801455400 ZWXMHTWUGJVOPR-FRQROOTJSA-N 441.492 -0.346 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807196966 ZMYVPBOGXNNGRU-AESZEHBQSA-N 425.917 -0.066 50 20 IBGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)n1cnnn1 1809980636 YMOJTDSMFSAHPN-HNNXBMFYSA-N 426.286 -0.541 50 20 IBGD Cn1ncnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354966 JKCPONAREVYING-LBPRGKRZSA-N 426.267 -0.509 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478889 CSGPRBATQWKDTK-HNNXBMFYSA-N 429.242 -0.249 50 20 IBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825237480 FEFZLTMHBMNISH-AWEZNQCLSA-N 430.295 -0.425 50 20 IBGD Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1833853283 YXDIHSZIFGIHPN-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924099 NLOQTFYKARWABG-KZULUSFZSA-N 438.872 -0.495 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836013039 JPILPCMOQZTVKF-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cnnn1 1837717290 AQBSRMCWCZREIE-YOEHRIQHSA-N 426.550 -0.458 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838405377 SQFJHNBPTHZSQO-YLJYHZDGSA-N 447.960 -0.111 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840150856 RZJVGYXOBMDDAJ-ACJLOTCBSA-N 430.889 -0.695 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)c2ccc(O)cc2)CC1 735118454 VSRCVHLGSSQLNZ-UHFFFAOYSA-N 448.505 -0.404 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 740943454 NUOMWUBFJLJJSM-UHFFFAOYSA-N 441.510 -0.234 50 20 IBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440282 GJJHRQQRAJGSSG-ZPWNPBNNSA-N 440.412 -0.587 50 20 IBGD COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 749551835 QEBUWKHWVWSGLQ-VDERGJSUSA-N 434.405 -0.219 50 20 IBGD Cn1cc(Br)cc1C(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750662031 WRVVMLLHHPCFHZ-UHFFFAOYSA-N 449.287 -0.161 50 20 IBGD COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 761271167 JTGZVQLBRAWOMY-SECBINFHSA-N 434.496 -0.709 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 783999921 MUIKVGMLOQQTHW-UHFFFAOYSA-N 427.417 -0.599 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786998987 LYAVOIXUXZIUHM-HZPDHXFCSA-N 426.514 -0.175 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 915685558 DAPSFWTYFOQCOO-VXGBXAGGSA-N 435.549 -0.127 50 20 IBGD CN1CCN(CCCCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 1318986278 NBMDXBVZSFBAPQ-UHFFFAOYSA-N 440.570 -0.092 50 20 IBGD O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779016928 VHYBQQDZXNOUJX-KURUZVKSSA-N 428.298 -0.718 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779326496 XPDIXPRZDDOMLC-ZHRRBRCNSA-N 438.293 -0.295 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885276 MGJYJRLGJKVXRY-FQEVSTJZSA-N 426.433 -0.924 50 20 IBGD COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)(C1)C2 1783937861 YEJARXAUMLXNRJ-CBNMVNINSA-N 436.509 -0.467 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981050 MYQKPSKLVLZIBC-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nn1 1786981181 XUTLEKPSPMKTLU-ZVZYQTTQSA-N 440.265 -0.928 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805517860 LGAMTNWBGFPVBP-OAHLLOKOSA-N 435.974 -0.452 50 20 IBGD O=C(Cn1cncn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807599524 VBWNGKUEDGZYAM-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811450656 FBWMVIPITOIFJY-UZLBHIALSA-N 447.260 -0.522 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068204 JRNICRUUVHGOOQ-KKVAFCGZSA-N 432.525 -0.028 50 20 IBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnn1 1815348399 MGGRQGLHYIXZFD-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CCC(=O)N2)n[nH]1 1816967790 PZOPTHHFGJNBJD-ZFWWWQNUSA-N 440.464 -0.007 50 20 IBGD N=C(N)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826831074 RJSWNZVALYOTLV-MRXNPFEDSA-N 430.513 -0.599 50 20 IBGD O=C(CCn1ccnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826871910 VIEOCQPIRFYBCE-AWEZNQCLSA-N 440.294 -0.270 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831516980 ANJKSVOOHAIRIF-CVAIRZPRSA-N 428.530 -0.777 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1)[C@H](O)CCl 1833312447 VGMULXPMYIWKNA-MRXNPFEDSA-N 425.917 -0.585 50 20 IBGD Cc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834271933 VFPAULQKLWRQBW-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD CC[C@@H](C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797760 CGTYWSYUWIUMJX-IIBYNOLFSA-N 445.369 -0.041 50 20 IBGD O=C(c1ccnc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934005 KABQMNHTPNXUFG-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838394857 BSTNLWNQJDGGBG-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)C(=O)NC3CC3)nnc12 726619629 RQCFRKNWZCCOKD-UHFFFAOYSA-N 441.473 -0.252 50 20 IBGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 756948925 BJVMOJLIFYKDIY-JJHQXXDFSA-N 429.499 -0.749 50 20 IBGD Cn1[nH]cnc1=NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 757761014 LDOXQYUAKHDLPG-UHFFFAOYSA-N 437.482 -0.957 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 764043146 PISWIPCXSCUIHF-LLVKDONJSA-N 440.503 -0.203 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 764226600 IUGYFSLDRGAWFW-NSHDSACASA-N 429.524 -0.737 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 778443208 LZYCPBKVNWLXIL-UHFFFAOYSA-N 429.474 -0.262 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2csc3ccccc23)n(C)c1=O 795336897 WOUWIYMHUOLJNU-UHFFFAOYSA-N 448.486 -0.342 50 20 IBGD COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 808088385 FTDZHQKEYNTCOO-ZETCQYMHSA-N 442.903 -0.446 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1F 815778431 QKSOYYLSAGRFDG-QMTHXVAHSA-N 438.412 -0.228 50 20 IBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)n1cccn1 917494571 QFRQGCLNLLYHLY-CYBMUJFWSA-N 436.494 -0.386 50 20 IBGD CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781787056 MOSXNXQKAMNBHS-FIKMYACPSA-N 431.298 -0.982 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1788772553 CTHDWEPZXCPKRE-NXOAAHMSSA-N 429.590 -0.031 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791289054 FSFSKVZBRQXWTG-ULQDDVLXSA-N 436.557 -0.379 50 20 IBGD Cc1ncc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1791587983 LRRKNCSKMNXYSU-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817297315 DAWRVDMBQHOPEV-IAQYHMDHSA-N 444.322 -0.085 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817475176 LOFCWGUFLNTYFR-GOSISDBHSA-N 441.297 -0.272 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728208 QNGDPSOKPGOKHA-DCGLDWPTSA-N 432.930 0.000 50 20 IBGD C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800141 XPVZTSNTSPVFGQ-KRWDZBQOSA-N 441.337 -0.410 50 20 IBGD O=C(Cc1ccsc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928304 JIXHHRJARAQIPY-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1835934441 SKDCBIQRACWRIB-LZQZEXGQSA-N 440.664 -0.639 50 20 IBGD O=C(c1ccc(O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939365 OKETWPMBXZYJFM-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD C/C=C/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460796 KPPKDQVKJGWBPU-YFMDCFRWSA-N 429.477 -0.113 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837461542 YLGJTZZLCXCCOR-FQEVSTJZSA-N 446.439 -0.464 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1)NC(=O)NCc1ccccc1 1843084568 WKQYOYBACCTIFA-UHFFFAOYSA-N 441.496 -0.777 50 20 IBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C1CC1 725905941 KBYWCYUSVGUGBE-ZDUSSCGKSA-N 437.927 -0.021 50 20 IBGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(=O)N3CCCC3)n(C)c2)C1 730216388 PRGRNAYRGFVNFF-CYBMUJFWSA-N 425.511 -0.171 50 20 IBGD O=C(CN1CC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 731865879 VOWSFCDOLVVWAQ-UHFFFAOYSA-N 445.457 -0.522 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cccc(Cl)c1 745484651 WZFPZGKTWCRTBV-CZPYZCIJSA-N 435.820 -0.193 50 20 IBGD CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NNC(=O)C(=O)N1CCCC1 748445322 QHAKFWNKOQSRMB-UHFFFAOYSA-N 425.511 -0.033 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)cc1 751207360 WMTFGKJOOGQZPQ-HXUWFJFHSA-N 443.416 -0.367 50 20 IBGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 764581838 YVOKDAHWHZKYAF-UHFFFAOYSA-N 449.475 -0.053 50 20 IBGD CCOc1cc(/C=C\C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1O 780983689 NLEOLPUTOPOFBX-VURMDHGXSA-N 442.432 -0.601 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 917106989 RDRKSLQHHIVRMS-LBPRGKRZSA-N 446.913 -0.655 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)c(=O)nc1O 1781333941 IGVMPPOFDXTIMK-MLGOLLRUSA-N 447.261 -0.222 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581192 LNIVUWIPONOYDP-OAQYLSRUSA-N 435.249 -0.605 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986464 DCTADGQJWJCOPW-MZGVZZPPSA-N 439.115 -0.257 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc2ncccn12 1788003686 JTFWFWKYIMASNF-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD O=C(CCc1ncc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791479859 LXBGRLVDBZFCFF-SZMVWBNQSA-N 426.282 -0.684 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791625702 NUDJTUCWDPHQEU-LQJIQPLVSA-N 440.309 -0.508 50 20 IBGD COc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1793895397 ZUGJTLYSNAPRLJ-FAQVEIGNSA-N 447.536 -0.015 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1F)C2)c1cccc(B(O)O)c1 1795739947 VHFBUJNXJUHQSB-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD COc1cscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796680987 MDWALLGQNCCXBB-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ccnn12 1799905010 JEPKPNSMNZLJNL-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD CC(C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccn1 1801215090 JJJNGXZCKVEZCU-XEMDLRDOSA-N 437.305 -0.058 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807692020 IUFTUCLBJIQBRP-OXQOHEQNSA-N 428.497 -0.248 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccnn2)CC1 1827235961 XMMDLBUMANUMAF-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 1828924387 QMWKAHREWBIKKO-SNRMKQJTSA-N 444.536 -0.359 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1829769491 VXCBDQXRTSFIHM-MXTKCAFNSA-N 448.289 -0.008 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832937577 UIYHDJKSYZAHMY-MRXNPFEDSA-N 431.497 -0.413 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc21 1834562620 ZWUPFSLDYPHUSE-SUMWQHHRSA-N 429.836 -0.769 50 20 IBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835244842 GTKJNLOCCOOVLW-DZGCQCFKSA-N 427.267 -0.204 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837883924 VWCSVLCPAWHCKF-HOTGVXAUSA-N 432.949 -0.168 50 20 IBGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838218975 XZTAGXKVKOZGGL-FQEVSTJZSA-N 434.497 -0.772 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839371615 GURGGXNDFHIXTF-RDTXWAMCSA-N 430.841 -0.527 50 20 IBGD Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C1)CCC2 1839581076 CPXQSSQYYHZJOM-DNVCBOLYSA-N 426.901 -0.422 50 20 IBGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839784961 BIPHRCHVQGLMJT-XHDPSFHLSA-N 429.322 -0.176 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 729276228 ZUCGYRSIFOMEEX-JSGCOSHPSA-N 432.524 -0.685 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729456984 RLDCYOAHTIQEBR-UHFFFAOYSA-N 439.498 -0.032 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)ccc1OC 732260266 BXWCHXUBUHTBGC-BETUJISGSA-N 428.511 -0.136 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O 745736343 ALTHVESAYKAWCM-RFAUZJTJSA-N 427.841 -0.072 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1Br 747613689 UKLDDCSDQWMTDL-LURJTMIESA-N 444.285 -0.606 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)N[C@H]1CCS(=O)(=O)C1 749173114 HWFNTMQAIYVYNN-WDEREUQCSA-N 436.537 -0.581 50 20 IBGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 753786547 VKTGXXBTTSCNCC-INIZCTEOSA-N 430.502 -0.041 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nc2ccccc2c(=O)n1C 763046446 AVIIDYROFGFMGW-LLVKDONJSA-N 444.473 -0.158 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 765739251 RMWLVCSVILICHN-UHFFFAOYSA-N 434.474 -0.098 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772192048 JHGUILVXKJDFCY-QHSBEEBCSA-N 434.836 -0.734 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c1 810662417 JEIOQNYOYKMUBS-UHFFFAOYSA-N 433.446 -0.018 50 20 IBGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1C 815261383 FVZXSCCYMPYHFS-LLVKDONJSA-N 432.524 -0.161 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1CC1CC1 1340601831 PXCRBWBOWLMNIJ-UHFFFAOYSA-N 427.465 -0.277 50 20 IBGD Cc1cnc2c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnn2c1 1778524261 UKTULMHHBXFHPO-JOCHJYFZSA-N 449.276 -0.525 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1779202271 ZFDMAYWDQZHZMV-ACXGAUJLSA-N 435.905 -0.181 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779882898 BHPGKEIGCDBJMZ-VQYZLWMVSA-N 440.460 -0.103 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781769029 ZSJIKDLYYTUOKF-BBPCXNGUSA-N 446.508 -0.100 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1781997081 BQVMMPRUPRVQKG-XWCIJXRUSA-N 445.314 -0.165 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782042985 PXOBBGOUXDTWON-NRFANRHFSA-N 426.234 -0.465 50 20 IBGD O=C(COc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785142954 ICCLCKWDWAWXQC-VDGAXYAQSA-N 439.277 -0.566 50 20 IBGD CCN1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1785642180 LABYXZLFRNPYHB-JOCHJYFZSA-N 429.326 -0.458 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786729555 QLZBUYXYSILLLO-FJIDUMEYSA-N 430.977 -0.143 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981988 VBZJJVJKZMAVBH-XIVBQZFQSA-N 431.298 -0.239 50 20 IBGD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788610629 NDLPEVAWJSGARN-OWQGQXMQSA-N 439.476 -0.309 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794035992 JEBISQBJUAASDO-YVWYUNDQSA-N 448.524 -0.903 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)n1 1796718073 VLVZUAOCOKFRMD-QPPBUOOMSA-N 428.829 -0.199 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1796890754 KNBKJYSUPCKGAL-BQELMUNXSA-N 443.464 -0.690 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797325182 KHTOMDDISJZAEH-OQMKEHIESA-N 439.900 -0.526 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1813072174 CRCCZPXGPWDZIQ-YLAKUSLOSA-N 432.525 -0.817 50 20 IBGD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830727809 GACBKFGXKSBYRE-KXBFYZLASA-N 441.868 -0.462 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833566509 GMGFAICUSILMHY-GUYCJALGSA-N 432.836 -0.548 50 20 IBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736403 PKXINZABFLDPJC-SWLSCSKDSA-N 446.390 -0.066 50 20 IBGD Cc1ncc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)[nH]1 1834797492 OFIWPHPVIIOOCH-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD CC(C)(C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800247 ACQFDHFZHPLPDP-HXUWFJFHSA-N 445.369 -0.041 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1835935650 XCRCFBAEFDGYCS-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD O=C(Cc1ccccn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836186809 BXCYVGFIVSXYOP-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=S)NCCNS(C)(=O)=O)cc1 727064388 FLZDJXXMTYMCNT-UHFFFAOYSA-N 443.580 -0.235 50 20 IBGD O=C(COC(=O)CS(=O)(=O)C1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 728327400 JWIMVIQRSCBFTQ-HNNXBMFYSA-N 426.447 -0.126 50 20 IBGD COc1c(F)cc(CC(=O)NNC(=O)COc2ccccc2O)cc1S(N)(=O)=O 730780099 OSBXQMRNRKJOJZ-UHFFFAOYSA-N 427.410 -0.044 50 20 IBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 732258377 LWVAGOSNMFEXDZ-UHFFFAOYSA-N 437.478 -0.436 50 20 IBGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 749969770 VZBVVVLIQHVNJS-UHFFFAOYSA-N 442.450 -0.039 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-c3ncon3)cc2)n(C)c1=O 756315012 BVOIBFUDMSPPEC-UHFFFAOYSA-N 439.392 -0.663 50 20 IBGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 757709899 FIVBKWPHWXVARC-GHMZBOCLSA-N 435.528 -0.146 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cccc(N(C)C)c1 762963654 ADRJWOPBUWUCKU-GFCCVEGCSA-N 433.490 -0.021 50 20 IBGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764229766 BZQQVTZJRRZYHI-ZJRUKIMVSA-N 426.451 -0.714 50 20 IBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 764345836 YCMLHUSVSTWAQS-LBPRGKRZSA-N 435.462 -0.666 50 20 IBGD Cc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 773657571 HXUCJSULGVGYGX-UHFFFAOYSA-N 425.511 -0.382 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C=NOC)c(=O)n2Cc1ccccc1 773755601 YRPDIUUEBLCCED-UHFFFAOYSA-N 427.421 -0.793 50 20 IBGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 800622683 OVVLGWCHEIIFLY-UHFFFAOYSA-N 445.407 -0.534 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921299154 ZRYPOCBNBJTPJE-UHFFFAOYSA-N 442.494 -0.007 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779085948 YGTNCDDLZGVUAA-UKPHBRMFSA-N 434.331 -0.502 50 20 IBGD Cc1ccn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786980174 RFOSPRJIPFFBPV-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056374 VYLWSDMVDGHMBD-CUOUOBHDSA-N 436.303 -0.186 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1791254413 SWXJCLZGGXERAT-ATIWLJMLSA-N 430.977 -0.144 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1791255269 JAGHVDOKAXGYJA-YXWQFLTLSA-N 449.895 -0.063 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1793318361 PQZMUTNFBSDBAT-RKQHYHRCSA-N 425.935 -0.842 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075001 WRJKLZZTIWOOIB-DYESRHJHSA-N 432.525 -0.013 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]n1)CC2 1819797632 WOGCEQYVBHDLSF-MRVPVSSYSA-N 427.450 -0.201 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831486951 HUEBSDZSUUUXHB-PXNSSMCTSA-N 436.339 -0.609 50 20 IBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(=O)[nH]c1C 1833386292 SZSTUOFOQGDWNP-SCLBCKFNSA-N 428.873 -0.944 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 744686292 QFWCWZMKFFIWMF-CABCVRRESA-N 437.474 -0.665 50 20 IBGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 746278875 OFEDQUIPLFTWKS-HNNXBMFYSA-N 445.973 -0.200 50 20 IBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 746765289 OFSJWAIHIGPWRY-HNNXBMFYSA-N 438.510 -0.304 50 20 IBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 748246540 BZUOOBKAUJKGDO-CYBMUJFWSA-N 427.483 -0.538 50 20 IBGD CCOc1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 777403212 YMRQHOZYTGSCJR-UHFFFAOYSA-N 435.462 -0.029 50 20 IBGD C[C@@H](CNC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)S(N)(=O)=O 783408914 NUVRIUHNUMIEGR-ZETCQYMHSA-N 432.402 -0.784 50 20 IBGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)CC1 783425783 DJQHPZLZQLDZNG-FQEVSTJZSA-N 437.566 -0.039 50 20 IBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN3CCCC3=O)CC2)cc1 920826005 NZGSPRUOSTVCEL-UHFFFAOYSA-N 438.506 -0.134 50 20 IBGD CC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777821899 OEGFKAFFUKURPU-WHWRDJHUSA-N 437.888 -0.043 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779531087 XMGSOXXIMCSNCH-YBOAYWMSSA-N 443.309 -0.815 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030411 UREXFBVLDCJHDV-HXUWFJFHSA-N 433.465 -0.373 50 20 IBGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611420 APAYIMFAFJENCD-FGPFUNDFSA-N 433.509 -0.315 50 20 IBGD Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794120701 XCSWYUWCGROOLA-XEMDLRDOSA-N 426.282 -0.917 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2)c1ccc(B(O)O)cc1 1795734217 JGCNCHSXEZHGKM-XOIINTDNSA-N 440.290 -0.407 50 20 IBGD O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795758776 YLKFLSKXGSQFGP-ZSBFGKGUSA-N 432.673 -0.880 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1801011636 TXXXWPYUQHSTKB-CWPLJXCYSA-N 443.504 -0.494 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801572812 ZBYPZCXORHBTQY-QXGSTGNESA-N 444.536 -0.239 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1826080912 HCNCDGPFOVALOG-RYUDHWBXSA-N 436.538 -0.046 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1830727734 CREILTWOLSJJSS-OPYAIIAOSA-N 437.924 -0.243 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901307 KPIXPJMWWKOUCE-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837316306 YXWCTWPHRIOVOI-QMTHXVAHSA-N 432.779 -0.852 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1ccnn1 1839202774 PBPJLMASOKFGQV-XUJVJEKNSA-N 434.266 -0.014 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012154 JUOIMRAODIQXEK-HNNXBMFYSA-N 436.277 -0.603 50 20 IBGD Cn1nc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c2ccccc2c1=O 742473917 JZMDCSGAKQIYGE-VDERGJSUSA-N 439.428 -0.753 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 756550800 SKVYPMDTPKVWOJ-CYBMUJFWSA-N 444.514 -0.633 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(Br)cc1F 764231898 QQLUJSYOGIFPOI-YFKPBYRVSA-N 443.226 -0.249 50 20 IBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765756669 NIDJUAJDAURRMV-OAHLLOKOSA-N 436.900 -0.407 50 20 IBGD CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767850569 LZPBWBGSBOAHPF-LLVKDONJSA-N 448.361 -0.442 50 20 IBGD O=C(NNS(=O)(=O)C[C@@H]1CCCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 788139534 OFJAMBMKFYYVDA-CQSZACIVSA-N 447.535 -0.302 50 20 IBGD CCn1nc(C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)c2ccccc2c1=O 807952917 PJGDJXHUKJRXPZ-UHFFFAOYSA-N 425.449 -0.356 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCc4nnn(C)c4C3)cc2)CC1 810341440 KBLZAAKQHXWQDW-CQSZACIVSA-N 433.538 -0.001 50 20 IBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 815630395 IDTFICFGJPKFKC-UHFFFAOYSA-N 432.393 -0.781 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 919883081 APECXJRYMAQLKO-BYNSBNAKSA-N 440.522 -0.130 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1779025047 QAGNGUCGXAHPJY-NRFANRHFSA-N 441.249 -0.325 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779054643 NOYGQJFKROHEPK-VFNWGFHPSA-N 439.281 -0.900 50 20 IBGD O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779136898 FPFNUIZXOLSSGD-OVRHDEQLSA-N 425.250 -0.478 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779502264 URWIBQBCTIAIBF-LJQANCHMSA-N 430.657 -0.433 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C\C(=O)NC1CC1)C2 1782214087 BUPZGJSCSHRUNG-JZACPFSMSA-N 449.552 -0.292 50 20 IBGD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786983917 FYRYRRUUSAMUFI-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD Cc1nccn1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985272 XVHATQWISWCART-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCc2ccoc2C1 1793122684 KBACZRXSLRELOF-JWVYWZTKSA-N 438.289 -0.032 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802615170 VOLPYFZAPHIGSY-LLGFUMIMSA-N 444.536 -0.013 50 20 IBGD C[C@H](CN)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302116 FWTBHZCOZFSYND-QIIPPGSGSA-N 425.493 -0.006 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ncc1[N+](=O)[O-] 1830728048 NNODVGLUMNJBHC-QAPCUYQASA-N 442.856 -0.032 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831425947 XUHATOGJOJFALT-KKSFZXQISA-N 432.282 -0.973 50 20 IBGD COC1(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CCC1 1835934531 XBWHYXZXFSZJRZ-QFIPXVFZSA-N 446.309 -0.604 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1837456027 AYHLHPARJPYKAL-LJQANCHMSA-N 446.489 -0.475 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837599587 RDZPKGABNGOKEA-VFNWGFHPSA-N 449.508 -0.431 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839785424 QQLLSAKBADEWRL-VBQJREDUSA-N 438.930 -0.726 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840036503 LYRXHDIPIZZGLE-SWLSCSKDSA-N 441.344 -0.339 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCC3)CCO2)C1 1840847891 IIGNQLAERAKMCU-NRFANRHFSA-N 431.493 -0.055 50 20 IBGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1OC 254509791 NNDDAJQUYLISPP-UHFFFAOYSA-N 430.421 -0.390 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731809276 SGXGERRHFVYDKX-UHFFFAOYSA-N 447.458 -0.650 50 20 IBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccn(CCN2CCOCC2)n1 764165247 UZXXOXPUDRDGCD-INIZCTEOSA-N 428.449 -0.695 50 20 IBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)OCCOC)c2ccccc2O1 764397644 AWJZDCRQQWKNMF-BBRMVZONSA-N 436.465 -0.494 50 20 IBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739528 XECIVLUWVRKSLC-UHFFFAOYSA-N 442.476 -0.316 50 20 IBGD CC(C)(C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)S(=O)(=O)C1CC1 792625949 ZVOVBFQEDJTHEC-AWEZNQCLSA-N 426.447 -0.127 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)N(C)C)c1 812694140 OAYRDPXJGZRKPT-UHFFFAOYSA-N 449.555 -0.448 50 20 IBGD CC(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 920212344 DYYDZFVKFHGDMI-AWEZNQCLSA-N 446.551 -0.004 50 20 IBGD Cn1cc(F)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030943 ZDOIENPGMKFFIS-HXUWFJFHSA-N 430.440 -0.080 50 20 IBGD Cn1ncc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1Cl 1779861061 DZOCTVKBPQLIMR-IBGZPJMESA-N 432.673 -0.489 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781787055 MOSXNXQKAMNBHS-CFCCAZDESA-N 431.298 -0.982 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccco3)[C@H]2C1 1783565886 MYHXKFWLTWWEAX-FRJURHEUSA-N 443.460 -0.395 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1783934921 LXFNRPDRAFKBRQ-NRFANRHFSA-N 432.525 -0.036 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2nccc2c1 1797557477 RBZPNSVNJGYDBD-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD COc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009401 FCYQLLSHEQONPQ-UPHUGPLXSA-N 447.536 -0.015 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1801011313 HKKGYBHNZYLDQG-HBCWATKFSA-N 434.497 -0.758 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803664147 JPYROOFHMQDDDD-ZTQAJYAQSA-N 438.293 -0.408 50 20 IBGD N=C(N)SCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807002396 RTGVDLMKYVEUIH-CRAIPNDOSA-N 441.322 -0.292 50 20 IBGD CC(=O)N(C)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350216 KUMSGDDNPGPWMV-OAHLLOKOSA-N 444.322 -0.083 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1830538021 TXMJVMWJTFBLMS-IGCXYCKISA-N 432.315 -0.248 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831486957 HUEBSDZSUUUXHB-YLJYHZDGSA-N 436.339 -0.609 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1831650984 MHZPMSACWLGMLQ-PMUMKWKESA-N 435.905 -0.085 50 20 IBGD Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797926 MRFZZCHRPODKMY-UHFFFAOYSA-N 440.313 -0.708 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632250 GWQJBJNLOLKZET-CXAGYDPISA-N 446.346 -0.686 50 20 IBGD O=C(/C=C/c1ccoc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927505 QNXVWJUWFNISPQ-BGDOBLQISA-N 440.261 -0.257 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1835932217 ULFHJBLUIDMJPY-NEYJZJCJSA-N 444.318 -0.689 50 20 IBGD O=C(CCc1ccoc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933831 GXACSOWRKGVDFR-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838910672 YAWNGRDLMOUTHR-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190593 CVDXYDVJXUHNSD-ZDUSSCGKSA-N 436.214 -0.075 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263880 WAQRJRVQTQAIKL-MSOLQXFVSA-N 448.303 -0.396 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3ncsc3c2)n(C)c1=O 755804300 RQXWBMMRPPCFQG-UHFFFAOYSA-N 428.434 -0.104 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1OCC(=O)N1CCOCC1 756872909 DYHDSDIDROAJKG-CYBMUJFWSA-N 440.478 -0.488 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 763619888 ZTYPQSRUDMAOJM-UHFFFAOYSA-N 427.417 -0.625 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 763668160 KLEIEQWCHIKTBA-UHFFFAOYSA-N 428.449 -0.057 50 20 IBGD O=C(COC(=O)CNC(=O)c1cccc(O)c1)NNC(=O)[C@@H]1COc2ccccc2O1 785695651 XPCOXXJOEWASOJ-INIZCTEOSA-N 429.385 -0.347 50 20 IBGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 812886794 MOHOCWLROZYSFZ-HNNXBMFYSA-N 448.505 -0.148 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC=O)C2 1778092445 BSICDTAFMLITIZ-KJGJOIRFSA-N 446.508 -0.231 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779400632 OVXWIIOALRVBJJ-YYAJDYIMSA-N 448.900 -0.405 50 20 IBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780935787 SDVHZKCWZSYHLA-SCLBCKFNSA-N 442.925 -0.679 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1781330536 YVABHGAZTKOPHR-WBVHZDCISA-N 449.321 -0.329 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212006 NRADFWBECJVMQR-LUQKVYGDSA-N 439.557 -0.260 50 20 IBGD Cc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784723891 FUORQMPUVGMNIM-SNRMKQJTSA-N 426.282 -0.685 50 20 IBGD O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1786790240 QPRPWEFLKKZTJR-SRVKXCTJSA-N 442.247 -0.524 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056008 LXPWGAUBFNJVMC-BFYSQQLMSA-N 434.331 -0.099 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1791255658 XSVNANOIHDUNBB-WOYTXXSLSA-N 448.900 -0.285 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(O)C(F)(F)F)C[C@@H]21 1791288055 QXUOHJJTMGFXHD-MRHIQRDNSA-N 438.447 -0.348 50 20 IBGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)cnn2c1 1797419418 DZKIFZGGRKMKCL-CCWDJLKJSA-N 443.508 -0.386 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnn(C)c1 1801423403 VDXNYVDTYZIFIP-HGQKDGAKSA-N 441.492 -0.314 50 20 IBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)c(=O)nc1O 1803146704 BSSAUSSPYYOXSH-BFYDXBDKSA-N 449.895 -0.042 50 20 IBGD COC(OC)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363792 FQEKOOLWECFSNN-WMZOPIPTSA-N 427.266 -0.300 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826938298 SYDXGDNRHJLLRT-IAGOWNOFSA-N 438.573 -0.428 50 20 IBGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833521293 UJNMZZJPQKUPJJ-HNNXBMFYSA-N 444.341 -0.937 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833523674 GHNWZRRYZZUHLK-OAHLLOKOSA-N 438.573 -0.558 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833617523 KDUABYLXZSNNFR-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935013 BVTGELOYABHDLK-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839623143 OWLQDAKDOLDTLC-UGSOOPFHSA-N 441.847 -0.462 50 20 IBGD Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840184343 HNSOWYFTZSVECQ-FQEVSTJZSA-N 434.497 -0.772 50 20 IBGD O=C(COC(=O)[C@@H]1CCCN1c1ncccn1)NNC(=O)[C@H]1COc2ccccc2O1 728323633 OUQZCFZCQDAAEX-XJKSGUPXSA-N 427.417 -0.024 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccccc1O 742069630 KTCFCRSYSPUSIL-NSHDSACASA-N 425.467 -0.364 50 20 IBGD O=C(CCNC(=O)NNC(=O)C(F)(F)Oc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 743631967 VOTWXFIUKLYEQN-LLVKDONJSA-N 434.421 -0.318 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1OC 751667406 AQDAGQZSJQIZGE-GFCCVEGCSA-N 431.405 -0.216 50 20 IBGD Cn1nc(C(=O)NNC(=O)Nc2ccn(CCN3CCOCC3)n2)c2ccccc2c1=O 756647841 VYJOIJHIBXCXKO-UHFFFAOYSA-N 440.464 -0.071 50 20 IBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 758044593 XLXQCJWRTLAXST-UHFFFAOYSA-N 432.524 -0.439 50 20 IBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 758838121 BKHHWYVKNFKUAO-LJQANCHMSA-N 428.380 -0.226 50 20 IBGD O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763695955 ZKSNUDYKSPBDPZ-UHFFFAOYSA-N 434.840 -0.020 50 20 IBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)cc2S1(=O)=O 764344425 CGOABUJRNPDVKG-UHFFFAOYSA-N 445.457 -0.175 50 20 IBGD CCN(C)[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766635944 KDUCPEAZVLFWBR-OAHLLOKOSA-N 427.465 -0.726 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 784004161 UHERIXUYFSRUNR-UHFFFAOYSA-N 431.409 -0.016 50 20 IBGD Cc1c(NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cccc1[N+](=O)[O-] 784351180 LCWXVQSHFRUGSR-UHFFFAOYSA-N 427.377 -0.069 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NCCCCC(F)(F)F)n(C)c1=O 794986680 VJFQTWADPGKHBB-UHFFFAOYSA-N 435.432 -0.338 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C 798308840 PAINUQIRYKDJNO-HIFRSBDPSA-N 436.490 -0.575 50 20 IBGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 917727874 PNGVHVXBTKAACD-UHFFFAOYSA-N 445.461 -0.070 50 20 IBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320455565 WOGDCLJEPANUDF-GXTWGEPZSA-N 429.499 -0.256 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1783969823 QCOBIEJRHOGFCV-CYDGBPFRSA-N 445.314 -0.451 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788654459 GBLFEGLFVGHGGW-RVFOSREFSA-N 434.331 -0.600 50 20 IBGD CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288009 NBAYEXUFCBVDHB-ULQDDVLXSA-N 425.530 -0.793 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(C2CC2)on1 1792705795 QAPUACZTQWMBJF-CCWDJLKJSA-N 425.250 -0.251 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)N1CCN(C)CC1 1799967361 FGNCHYODPXQDMD-WCXIOVBPSA-N 443.552 -0.427 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402233 WEJQJNRSBMPBRG-AWEZNQCLSA-N 449.493 -0.241 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cncn1 1826786860 RNZONUWVAGRWBP-FZMZJTMJSA-N 440.294 -0.099 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682616 MXCNDMUTRNCZGO-DNVCBOLYSA-N 430.933 -0.022 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)O1 1836605601 GUMSSKBRGSBSLO-SOIKWTOOSA-N 447.492 -0.677 50 20 IBGD O=C(/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)NC1CC1 1839200884 RLXPYTUHPIRIQU-NSWPXQNRSA-N 448.289 -0.032 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cncc(S(C)(=O)=O)c2)C1 1842189956 YZFGQJGXVCTELD-UHFFFAOYSA-N 437.522 -0.325 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 751211915 MRBBIFLDNUPFPA-UHFFFAOYSA-N 436.446 -0.509 50 20 IBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3ccc4c(c3)OCCO4)cnc2n(C)c1=O 755845947 AITAYNYZAMXZDH-UHFFFAOYSA-N 426.389 -0.130 50 20 IBGD COc1ccc2c(c1)OC[C@H]2CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 760407040 YAYOSIFTGVKDOX-LLVKDONJSA-N 442.432 -0.844 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764423848 DCIXDRBMEWJHHC-DLBZAZTESA-N 446.460 -0.644 50 20 IBGD COc1ccccc1/C(C)=C/C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765724507 KCWVLXZXWZPSEQ-FMIVXFBMSA-N 426.433 -0.307 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2OCC2CC2)n(C)c1=O 766635915 JMZXGQITCAZALH-UHFFFAOYSA-N 426.433 -0.316 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 771964603 XIAFDWJFVDYWFL-LBPRGKRZSA-N 429.499 -0.084 50 20 IBGD Cn1nc(SCC(=O)NN=CC(C)(C)N2C(=O)c3ccccc3C2=O)c(=O)n(C)c1=O 782184613 JPUUJMDYFWJXGE-UHFFFAOYSA-N 444.473 -0.252 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1S(=O)(=O)N1CCOCC1 790384786 CGLNQCDHRHHLQE-UHFFFAOYSA-N 428.492 -0.033 50 20 IBGD C[C@H](C(=O)NNC(=O)CNC(=O)OCc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 794061502 HRWBTWWLKDYJPS-RYECPLHJSA-N 444.444 -0.389 50 20 IBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 874091348 MOYVRUYOTKZOAF-INIZCTEOSA-N 428.493 -0.051 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 920605681 ROEPWDTXQLYXPL-UHFFFAOYSA-N 427.417 -0.498 50 20 IBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)NC2CC2)c1OC 920766533 QFLFEPFZHAIJEB-UHFFFAOYSA-N 428.467 -0.169 50 20 IBGD CCS(=O)(=O)NC1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1115983848 ATDLOTYEKVRHDD-UHFFFAOYSA-N 439.542 -0.163 50 20 IBGD O=C(O)c1cnncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779691900 UJQPEZQDXQZAJZ-PMUMKWKESA-N 426.857 -0.098 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1788475206 IIXNEHHCEJVMFT-JNLQPACOSA-N 436.303 -0.186 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1801011160 JKDBBPNLBBWZKI-WEMPKCCASA-N 443.548 -0.337 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369330 GZBBNOABXAFNQH-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD O=C(Cn1nccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808935340 RQUNFUUHZNCTKU-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718653 YBOFOFUONDBQIM-IRXDYDNUSA-N 433.933 -0.264 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185101 IOCJZVBXCURPSD-UZLBHIALSA-N 427.546 -0.844 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185240 HNBWYTXTFCQVLT-OXQOHEQNSA-N 428.530 -0.371 50 20 IBGD O=C(CN1CC(=O)NC1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 731866139 RBQPKUNRDVLTIS-UHFFFAOYSA-N 434.416 -0.299 50 20 IBGD CN(C)c1ccc(NC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 743582775 IXWMMLQGOIWQQI-UHFFFAOYSA-N 427.531 -0.335 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745482965 PFDOALYIMBYBBC-OMNBBPDLSA-N 426.385 -0.975 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 755138737 KBYJWNNMCXERJZ-GVARAGBVSA-N 431.474 -0.385 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 758042910 BWPQRXCQUQOLIQ-KGLIPLIRSA-N 426.495 -0.611 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 760203282 JKEDSXHGDNIGHF-HIFRSBDPSA-N 441.510 -0.306 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)n(C)c1 763532389 YYLYEOQMIIZWCW-UHFFFAOYSA-N 440.504 -0.008 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 764343820 SMCDZJSSRKKRKF-HNNXBMFYSA-N 439.428 -0.008 50 20 IBGD COCC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)C 765735246 IRLCLLBOLUSVNT-IBGZPJMESA-N 433.509 -0.621 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)cc1 770967903 HYYUHSIUCICNIU-LJQANCHMSA-N 440.420 -0.012 50 20 IBGD C[C@@H]1CC(=O)C[C@H](C(=O)NNC(=O)c2ccccn2)[C@@H]1C(=O)NNC(=O)c1ccccn1 791121713 NKMFBEJNVJQIFK-HACGYAERSA-N 438.444 -0.070 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCN(C)CC2)cc1 807380179 QYEOIMGJVDJCEC-UHFFFAOYSA-N 426.499 -0.698 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1779024287 BOQDCJIFKCCYRM-OAQYLSRUSA-N 441.249 -0.325 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1779297184 USGSPVXTLHDQLU-FQEVSTJZSA-N 440.617 -0.168 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnnc1O 1779966210 ZGONJWSPGBBYBT-DYESRHJHSA-N 440.265 -0.697 50 20 IBGD Cc1noc(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785078114 LSJLJFMMAUXCRN-VDGAXYAQSA-N 441.293 -0.193 50 20 IBGD Cc1cc(C)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984549 NTOXCJIFAONGPF-IHPCNDPISA-N 440.309 -0.527 50 20 IBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(Cl)Cl)C[C@@H]32)CC1 1788248126 XQSDGZBPHUXNAZ-KKUMJFAQSA-N 435.352 -0.066 50 20 IBGD Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)nc2ccccc21 1792978379 SOJASRFQEXVFBB-NOXHYTERSA-N 434.880 -0.264 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732649 HDDPSBMSFRVQMA-ZIEJDFEHSA-N 439.115 -0.399 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732844 MWMLLFXGAXVWOV-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2)c1cccc(B(O)O)c1 1795741256 PDOKDPFJMOALAY-YHELAOLJSA-N 438.289 -0.827 50 20 IBGD O=C(CC12CCCN1CCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799210507 ABRUKMPDOZYLMA-RMFSNUHRSA-N 441.337 -0.412 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800977157 KEZPPZHNNQAUQP-YVSFHVDLSA-N 428.961 -0.390 50 20 IBGD Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1804745287 DSWDKBOAFHAJJU-KSSFIOAISA-N 449.475 -0.158 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C1CC(O)C1 1833274633 WPCQVNVMSIIDEY-UHFFFAOYSA-N 429.326 -0.678 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1835926268 JPVOQWFHOYPDCH-NQIIRXRSSA-N 432.282 -0.995 50 20 IBGD Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928779 YWKSPXSTSZMCBI-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 729274819 DYRWMNCNYVROEO-QMMMGPOBSA-N 432.915 -0.028 50 20 IBGD NC(=O)c1ccccc1OCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 729928319 KZXNMJGJUOHNDH-MRXNPFEDSA-N 429.385 -0.305 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C[C@@H](C)O1 732262173 RJTOMWRYDCBXBA-ZIAGYGMSSA-N 429.477 -0.095 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 732952014 HJYHCMIPQQPUAV-CYBMUJFWSA-N 425.423 -0.826 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cnn(-c2ccccc2)c1 733171490 OKMNNRAVMUAIRK-CZUORRHYSA-N 431.474 -0.331 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)[C@H]2COCCO2)c1 746022838 QOHYADGGMVHDMP-OAHLLOKOSA-N 442.494 -0.990 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 746948878 CADCSHBTGGZJDW-HNNXBMFYSA-N 446.551 -0.242 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1cnn(CC(=O)N2CCOCC2)c1 756835003 KDUDFEQLOVSDNJ-INIZCTEOSA-N 430.421 -0.265 50 20 IBGD COC(=O)c1ccc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nc1 760784777 GZNQYOSSQWRQHM-UHFFFAOYSA-N 435.462 -0.008 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 762294814 MYERSSPVSZLNCV-UHFFFAOYSA-N 426.476 -0.093 50 20 IBGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764297009 LXAIWKMWURKEBM-UHFFFAOYSA-N 429.481 -0.111 50 20 IBGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)n1 764380347 WSEOTQALSFEQKS-UHFFFAOYSA-N 445.404 -0.315 50 20 IBGD Cc1ccc(Cl)c2c1NC(=O)C2=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764812619 NQKDWBIZOMLCSH-UHFFFAOYSA-N 429.824 -0.132 50 20 IBGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 794822721 FXQOZQFQHFYQOR-WCQYABFASA-N 429.499 -0.090 50 20 IBGD CN1CCN(C(=O)NNC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 807382395 IFRGCZKGJUENQO-UHFFFAOYSA-N 427.512 -0.116 50 20 IBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 816510272 QNMZXXKKSSUKCH-CYBMUJFWSA-N 436.531 -0.263 50 20 IBGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2=O)n(C)n1 1318828934 NEPBEUJUJDAZNC-HNNXBMFYSA-N 441.496 -0.129 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1791291097 LFOGKUFPOXFSCY-ULQDDVLXSA-N 443.508 -0.304 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(CO)CC1 1793856727 UUGFSJSUFICFAZ-RXJUEWQTSA-N 445.520 -0.313 50 20 IBGD CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1794294726 GUFAJARPCIVECO-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccn1 1795734234 KNUVVYIFTGXUBC-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3n1)C2)c1cccc(B(O)O)c1 1795739027 MMOUBOFHSDOUDF-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n[nH]1 1795740362 XLBGWPZXHNRHLI-CCWDJLKJSA-N 426.282 -0.270 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337628 PYVWTWHJGUAWNV-JONQDZQNSA-N 445.524 -0.394 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373884 VEEQZWZGDZZNCN-LXGCGDOSSA-N 438.293 -0.394 50 20 IBGD CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812660038 XWQFPWSFFKEJHT-RXVVDRJESA-N 438.293 -0.393 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830543397 QZMUNVLZSZPFKM-SJKOYZFVSA-N 443.298 -0.129 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1)[C@H](O)CCl 1833312385 SDJXECUFMGDOMG-OAHLLOKOSA-N 441.916 -0.268 50 20 IBGD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1834046989 QCDYOINPTISAKQ-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834265585 RWDUKRVOWUWIHE-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnco3)CC2)CC1)c1cccc(B(O)O)c1 1834799765 ABUVMJFFQSJQIY-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1835929542 VGNGYFQEXNZSLT-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939813 JFQREJKMOOMGKR-HTAPYJJXSA-N 446.309 -0.747 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838835479 YKFMTKPWJXIQJB-SCLBCKFNSA-N 430.889 -0.248 50 20 IBGD COc1ccc(C(=O)NNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 730022164 VHOUPMDHGXUGFP-UHFFFAOYSA-N 426.393 -0.032 50 20 IBGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 732573741 XFIRFCGYBCCERZ-CQSZACIVSA-N 435.448 -0.016 50 20 IBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621091 OJFDWGVEWGOMAF-UHFFFAOYSA-N 433.450 -0.765 50 20 IBGD O=C(COC(=O)c1cn(Cc2ccccn2)nn1)NNC(=O)[C@@H]1COc2ccccc2O1 745580490 TYHAYOYADCDHFV-KRWDZBQOSA-N 438.400 -0.134 50 20 IBGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2O1 751537958 FFJQPKYKDRQJGO-QMTHXVAHSA-N 432.476 -0.703 50 20 IBGD Cc1cc(Br)oc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729730 ZYJSTIABSSXHBC-UHFFFAOYSA-N 439.226 -0.441 50 20 IBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 782965579 GUTMZPQKMXQRTI-UHFFFAOYSA-N 425.327 -0.349 50 20 IBGD C[C@@H]1CC(=O)C[C@@H](C(=O)NNC(=O)c2ccccn2)[C@@H]1C(=O)NNC(=O)c1ccccn1 791121716 NKMFBEJNVJQIFK-SUYBPPKGSA-N 438.444 -0.070 50 20 IBGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCc2nncn2C1 793451937 VMTQNHYIUKYYQY-GFCCVEGCSA-N 432.462 -0.523 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066903 DGWXEJKCGCDWHA-CQSZACIVSA-N 425.467 -0.630 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N(C)C 815779354 BWLYDGNJTSXAQV-CYBMUJFWSA-N 428.467 -0.400 50 20 IBGD Cn1c(=O)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2ccccc21 1777886378 BMRWWRVBFCLPQL-QRWLVFNGSA-N 434.880 -0.023 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1789767146 VZAODHZKZCDADD-VRXFMZDNSA-N 427.929 -0.033 50 20 IBGD CC(=O)O[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(C)C 1797751639 KWLFVMWFPNQIFU-LTCOOKNTSA-N 447.492 -0.524 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nn1C(F)F 1798675947 JCSWFCSTXMXMJF-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)[C@H](O)CCl 1803138300 IZBDLDWUEGZODU-GUTXKFCHSA-N 434.817 -0.588 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807711635 KGKXUMCVDAEANS-YLAKUSLOSA-N 432.525 -0.817 50 20 IBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1808369481 GOHGGUDWGUIVAN-JCKWVBRZSA-N 439.476 -0.466 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1822414448 UBFCMHUFVGGCOL-TZMCWYRMSA-N 436.517 -0.632 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)c1cc(=O)n2[nH]nnc2n1 1834972923 LJJQLZRSSYAXMD-AWEZNQCLSA-N 440.867 -0.468 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835313650 GBZYBXLMCQZWAH-AHIWAGSCSA-N 432.315 -0.248 50 20 IBGD Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928358 MKQDARPNQKPZRA-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD O=C(CSc1ncccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836110046 XDGICDBKHMSNQA-DYVFJYSZSA-N 430.914 -0.375 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142124 OSWNZQGRQZDWDH-DOMZBBRYSA-N 431.291 -0.840 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837497696 KJTRUNHZMPVOLO-VBQJREDUSA-N 438.836 -0.528 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838753753 APNYJUMPVXDTNS-OAHLLOKOSA-N 439.557 -0.117 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049486 YDJWERYZVGIZGJ-NXWNEQKCSA-N 444.293 -0.996 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C1(O)CCC1 1840182690 IOXILMNDPXPTII-JXFKEZNVSA-N 440.541 -0.633 50 20 IBGD Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184269 GDUDKJIURCHGQN-GOSISDBHSA-N 440.526 -0.710 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 16594051 YZGCLQSNRKWOGQ-UHFFFAOYSA-N 439.494 -0.192 50 20 IBGD CN(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 728176743 ZDAUGUKZAGCBSI-CQSZACIVSA-N 449.526 -0.048 50 20 IBGD Cc1cc(C)nc(-n2[nH]c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2=O)n1 741740541 BVAYGZATZSLQEU-UHFFFAOYSA-N 444.477 -0.060 50 20 IBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 748855749 FOHFBRKSHJJMJS-ZDUSSCGKSA-N 434.478 -0.073 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)co1 756395830 SCNKKOMBQDCNEA-UHFFFAOYSA-N 441.418 -0.177 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(OCCN(C)C)cc1 764816591 IILPIIPJSJIVBP-UHFFFAOYSA-N 441.492 -0.086 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)cn1C 770957796 FOSNDAQQGAXXLW-UHFFFAOYSA-N 437.486 -0.250 50 20 IBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 808069697 GTSBRSYEXCDODQ-UHFFFAOYSA-N 427.888 -0.249 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 816875824 IWOIEHIDKMVLST-CQSZACIVSA-N 434.478 -0.441 50 20 IBGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2c1=O 920238464 DGBQRKBQRHABAT-GFCCVEGCSA-N 436.494 -0.216 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779030177 HQXZIRMNJURCCS-HXUWFJFHSA-N 442.432 -0.751 50 20 IBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C)n1 1779623790 OWHMUHOWRQDXEG-NRFANRHFSA-N 426.282 -0.580 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784394442 JAYYVOYACGFGFC-KRWDZBQOSA-N 425.515 -0.900 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984215 QTUNSFIZZDCSLN-DTUAVKEFSA-N 442.325 -0.569 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787083414 XAAQJBZMIJTVRF-ZOBUZTSGSA-N 449.508 -0.638 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975320 QKKIFVJKCKDPCJ-ZQNQSHIBSA-N 449.932 -0.549 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741425 WQTVWDZXRPKHOS-PHXBYCTMSA-N 431.342 -0.453 50 20 IBGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797007518 UEDTZMAGOAPUOL-JLVBRIDZSA-N 443.508 -0.386 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362816 WRDCDOBRJBDZSI-CRAIPNDOSA-N 435.249 -0.177 50 20 IBGD O=C(CCn1cncn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347588 FRRFFLNRDOLYQU-AWEZNQCLSA-N 440.294 -0.270 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835128184 RUFOATGFQMCDOQ-IGCXYCKISA-N 432.315 -0.105 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835597993 RCIXENTVTWIHHS-CVAIRZPRSA-N 427.546 -0.811 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1835937982 DEOLYOZKOHAWLS-RXVVDRJESA-N 430.266 -0.871 50 20 IBGD Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938570 ZBUUPXFWLUZGFF-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202407 FACNSVARPHNYKI-JSGCOSHPSA-N 443.291 -0.049 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840371254 XQTXKHGGNOCWKA-IIDMSEBBSA-N 445.879 -0.552 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(I)cc1 728509581 IMIOVHIGRDWYST-SSDOTTSWSA-N 447.276 -0.462 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cc3ccccc3o2)n(C)c1=O 765122326 DULQRFLGGVXMPU-UHFFFAOYSA-N 432.418 -0.810 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2nc(C(C)(C)C)no2)n(C)c1=O 766644072 NRRGXUYWKUBFAX-UHFFFAOYSA-N 446.468 -0.716 50 20 IBGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 778935461 AEWHQLYWMRDWKK-YJYMSZOUSA-N 434.405 -0.763 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N2CCNC2=O)cc1 782184561 IVRXVLTUMGSUCR-UHFFFAOYSA-N 431.478 -0.359 50 20 IBGD CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)ccc21 783999441 OGOCWLBQAZJEDJ-UHFFFAOYSA-N 429.433 -0.087 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 784003461 GTDBBBKXMOWSPK-UHFFFAOYSA-N 427.446 -0.096 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1C 785067184 IHMGYTAHGVWOSO-UHFFFAOYSA-N 444.473 -0.121 50 20 IBGD C[C@@](O)(C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 804178096 CYXNDVXSRUZGAW-IBGZPJMESA-N 425.507 -0.052 50 20 IBGD COc1ccnc(NNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 806983894 IVDWOBVVTYJDEC-QWHCGFSZSA-N 426.433 -0.036 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 825643855 LYHBDGOIDSXCDR-UHFFFAOYSA-N 429.437 -0.908 50 20 IBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)s1 915188798 SMDMDGBIXWZDBL-UHFFFAOYSA-N 431.521 -0.308 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779056162 WHUCBGWUEQUVEQ-YCRPNKLZSA-N 439.281 -0.900 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779095584 IXTINTAAHZXMRE-LXZKKBNFSA-N 434.331 -0.360 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1783937598 VJXPICPKRBPEQG-HXUWFJFHSA-N 441.529 -0.286 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786406057 ORXZCCPELOBXDO-BPUTZDHNSA-N 439.115 -0.255 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984462 IZKNXJVEASCUGI-LQJIQPLVSA-N 440.309 -0.508 50 20 IBGD Cc1cnn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1787116869 ZNFMUWWJSGXDJJ-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2ncccn2n1 1788303250 OTXZDTPKNOFCPW-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794429340 ZJPBIJRGBFQZGT-FAXLKDOZSA-N 445.925 -0.058 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289454 OTSIGKUUZJXILH-FVCICTRLSA-N 445.480 -0.989 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796317346 ROHOCMOWXSFWBJ-RILIKHADSA-N 447.496 -0.843 50 20 IBGD Cc1nc2ccccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796837026 OTJQNZUJQMTDOW-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801007256 YQUCFRFYRDJEAQ-JUINOQSQSA-N 425.251 -0.118 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NNC(=O)C2)n[nH]1 1819341406 GGNCYQIJXXMSDC-CQSZACIVSA-N 439.436 -0.410 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(C)(=O)=O)CC2 1826085099 DGEGQVZZQXKMOG-JTQLQIEISA-N 431.540 -0.527 50 20 IBGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1833429623 CSYSPRKNDPJVKI-RDTXWAMCSA-N 428.873 -0.455 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833966901 IJLHCYKTWJRNDQ-FQEVSTJZSA-N 430.291 -0.188 50 20 IBGD CC1(C)CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835934180 OUKQTIJFLVJQFE-JOCHJYFZSA-N 430.310 -0.127 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187038 TVPJXQDBSCOWKJ-KRWDZBQOSA-N 434.276 -0.438 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188430 IZWPRTGTWCKQHK-LRDDRELGSA-N 426.297 -0.602 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840356425 QCKJYGQFXAKVSH-MRXNPFEDSA-N 430.303 -0.090 50 20 IBGD O=C(CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1)NCc1ccccc1 725873126 VIHGXTZMEPAGGR-UHFFFAOYSA-N 442.476 -0.316 50 20 IBGD CS(=O)(=O)N[C@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 728960194 WGFUXGHYBFYJNL-AWEZNQCLSA-N 425.515 -0.553 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 756550808 SKVYPMDTPKVWOJ-ZDUSSCGKSA-N 444.514 -0.633 50 20 IBGD COCc1nc(OC)c2c(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2n1 758039573 MBOUTIKWOUYXAK-MRVPVSSYSA-N 431.496 -0.147 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 762963243 BGSCSHZUGXAUOY-BDJLRTHQSA-N 448.457 -0.560 50 20 IBGD CCOC(=O)Nc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765722451 XAIDKCOISMEWPG-UHFFFAOYSA-N 443.420 -0.537 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(-c3ccccn3)s2)n(C)c1=O 765729196 VEDNGSIAMINKJI-UHFFFAOYSA-N 440.445 -0.587 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 772152890 CTDUQJLLDZSIAK-SECBINFHSA-N 434.496 -0.848 50 20 IBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cc1 789811281 YIWMMHDAUBPYSB-HOTGVXAUSA-N 432.458 -0.007 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 792853202 CINGZYDUTMBJNJ-LSDHHAIUSA-N 447.583 -0.080 50 20 IBGD COc1cccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1F 802763003 PSUTXTOUWHZGQY-UHFFFAOYSA-N 432.412 -0.638 50 20 IBGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 812886795 MOHOCWLROZYSFZ-OAHLLOKOSA-N 448.505 -0.148 50 20 IBGD O=C(CS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 916162136 CCZNQFLTJMXEJB-SECBINFHSA-N 439.309 -0.195 50 20 IBGD C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)n1cccn1 920541613 DLCMQWATMDOVNB-LBPRGKRZSA-N 432.393 -0.185 50 20 IBGD COC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)CC1 1782213472 VBHDBVJTQQILQQ-FOIQADDNSA-N 438.525 -0.174 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(O)C(F)(F)F)C[C@@H]21 1791288056 QXUOHJJTMGFXHD-NEULZYRMSA-N 438.447 -0.348 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C 1793638222 NKOVGNVUYYAHJS-UNJQHOFTSA-N 430.509 -0.196 50 20 IBGD Cc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1794548516 TZGCWMQGOTUISG-JJLQDPRZSA-N 430.490 -0.033 50 20 IBGD Cc1cccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732635 FGDQZOGFUXQQJW-ARXNKUIWSA-N 435.289 -0.014 50 20 IBGD Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737366 WVKANFVHTNKTCJ-CWPLJXCYSA-N 427.266 -0.583 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n(C(F)F)n1 1795740226 GPPSCXRRIABGGZ-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1813072038 ZDUPIJJHQRWORS-UZLBHIALSA-N 428.497 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822029884 WFYZRDLZZUWVME-DZGCQCFKSA-N 431.921 -0.058 50 20 IBGD CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCO1 1836271905 VGHGPWFXDDRFTN-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)C(=O)N1 1836715775 ZMYQGKUJWBPOKG-CQSZACIVSA-N 430.889 -0.864 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839965329 VNIVSWCTTCLGCC-BDJLRTHQSA-N 431.287 -0.508 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840182753 SJVBZWXENXPKDI-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840184103 RWRVZDGJFVKMHZ-NRFANRHFSA-N 439.557 -0.698 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)COCC(=O)NCc1cccnc1 727765026 ZNPTZWHAAXIBLH-UHFFFAOYSA-N 448.505 -0.223 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745445755 NBNHOBFTVULAEG-RYECPLHJSA-N 429.429 -0.150 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCC1 746185946 PNUGNWDLPSHFDU-UHFFFAOYSA-N 427.483 -0.348 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C 747905517 CYQDKTLWGWVKHM-UHFFFAOYSA-N 449.555 -0.606 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 748418143 YWSYAEFHXCKYSY-UHFFFAOYSA-N 439.428 -0.133 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 749400389 IQPSQGCRDYDRJK-GFCCVEGCSA-N 425.467 -0.066 50 20 IBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 753786548 VKTGXXBTTSCNCC-MRXNPFEDSA-N 430.502 -0.041 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 758037000 XISVWEWYSRAXJB-NWDGAFQWSA-N 446.913 -0.348 50 20 IBGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 764198288 FKOBWAGMXUREIM-UHFFFAOYSA-N 440.526 -0.315 50 20 IBGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764435835 XKSLWOAGLKVLTC-AWEZNQCLSA-N 442.494 -0.594 50 20 IBGD CCCn1nc(C(=O)NNC(=O)c2ccnc(S(N)(=O)=O)c2)c2ccccc2c1=O 776598507 RQAUEHVJPKMTSY-UHFFFAOYSA-N 430.446 -0.076 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1F 807020165 RHDSJTGIHLFPQH-UHFFFAOYSA-N 448.436 -0.290 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2nc(Br)cn3ccnc23)c1 810484704 ITCKVZFKVJWSSM-UHFFFAOYSA-N 429.260 -0.353 50 20 IBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 916580018 AAOGHCARBFZVBG-UHFFFAOYSA-N 448.571 -0.096 50 20 IBGD Cc1cnn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030210 KCPIYSDUAKYLBL-FQEVSTJZSA-N 427.465 -0.666 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncccn1)C2 1779371018 GTZPNSIKGVVVDC-IIBYNOLFSA-N 439.476 -0.084 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(N)=O)C2 1779374613 SIEOFVIPVPGGHK-FOIQADDNSA-N 432.481 -0.922 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(=O)C1)C2 1779375609 QEVWVWFIFOEUTG-DYESRHJHSA-N 429.477 -0.208 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1782001269 CTXFTRRFDZOANC-PSTGCABASA-N 448.314 -0.173 50 20 IBGD Cc1onc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1C 1784773064 PJDHFHPUHORBEJ-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788472642 FEXHONCGZSZKHO-ASHKBJFXSA-N 436.303 -0.184 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1791056394 WPVUFVTXSLLVDB-UGUYLWEFSA-N 431.375 -0.003 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=N)N)C2 1793881213 VQWQOQDJDSQNPD-OPDFLTKYSA-N 446.936 -0.809 50 20 IBGD CN(C)C(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347936 YCOQVRZAEMXLEN-CYBMUJFWSA-N 445.310 -0.680 50 20 IBGD O=C(CSc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722643 GSHGVUZQGFQBEV-CXAGYDPISA-N 430.914 -0.375 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCOC3)CC2)CC1)c1ccc(B(O)O)cc1 1834800666 WVPKFAKRVZMIFI-KRWDZBQOSA-N 429.326 -0.412 50 20 IBGD Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935077 FOVWCUOWYPXAAQ-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1835935629 WJFJRJVJHBRBEG-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015277 ZYHOOLCLRGHLBG-ROUUACIJSA-N 426.278 -0.061 50 20 IBGD CC(C)N1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1=O 734219657 WWOYQOFVRGHZEV-HNNXBMFYSA-N 439.542 -0.347 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 744680294 PRBXOXKTMSMIKM-UHFFFAOYSA-N 425.401 -0.441 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 764229941 FTDYLNXIJNMWOE-NSHDSACASA-N 434.478 -0.615 50 20 IBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2O)c2ccccc2O1 764277612 KWXBCCBXQSYBHB-INIZCTEOSA-N 429.385 -0.114 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 764401048 UGFOLVCWUHUSGF-NSHDSACASA-N 441.872 -0.586 50 20 IBGD O=C(Cc1ccc(-n2cnnn2)cc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739598 ZIRNLDWWYCTAAE-UHFFFAOYSA-N 448.487 -0.190 50 20 IBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 766275324 HYICMOOKSHWHTK-GJZGRUSLSA-N 425.511 -0.139 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNc1nccc(N2CCOCC2)n1 768242310 BGHHXJJRZAXMIE-UHFFFAOYSA-N 441.496 -0.325 50 20 IBGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 777840897 QMAMZSNKWKTEAD-ZDUSSCGKSA-N 437.430 -0.048 50 20 IBGD CN(C)S(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 793225768 HRJFNQQOWMAJSX-UHFFFAOYSA-N 442.498 -0.922 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 914532649 MHTPIPUONFKBFT-ZDUSSCGKSA-N 435.506 -0.143 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777934225 MKVGZAMFNTUKKR-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778896402 ZSUDTULXTPSOET-MRXNPFEDSA-N 438.403 -0.705 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779033648 BARCKGCSYLIJHN-FQEVSTJZSA-N 428.449 -0.332 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035651 KNOJOXGWEFUPHP-OAQYLSRUSA-N 447.492 -0.282 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036952 KFLCIKAMSQZTIH-RNODOKPDSA-N 449.464 -0.310 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212010 NRADFWBECJVMQR-QLVMHMETSA-N 439.557 -0.260 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1783937209 QLJLUKNGPBUENQ-QFIPXVFZSA-N 443.504 -0.002 50 20 IBGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785645728 NBCKLDMVWCEZAC-XIRDDKMYSA-N 440.265 -0.928 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786886290 SCKXNMFXGRUNOX-YHQUGGNUSA-N 433.347 -0.410 50 20 IBGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737231 HWTWOAVEEBUFBM-CCWDJLKJSA-N 440.265 -0.928 50 20 IBGD Cc1ccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c2c1 1795738783 FJLAMRAKIMTEPK-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1807364903 LALWXSDWOHBYEQ-NJAFHUGGSA-N 438.249 -0.811 50 20 IBGD CN1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)C1 1813606134 GJWNBMVTXRCNTC-KXBFYZLASA-N 437.504 -0.039 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817360331 QAEOYAKBHCOQQF-JSGCOSHPSA-N 436.517 -0.632 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829984585 GRORBYVIDHWWAX-IBGZPJMESA-N 438.236 -0.518 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732125 RPTAAIYOPNHKBB-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD O=C(CCC(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929300 KEWXVOIBRVHKGS-GOSISDBHSA-N 444.215 -0.221 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1835933985 JICFPLFDDMJFSE-WOIUINJBSA-N 428.294 -0.518 50 20 IBGD Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456561 KEMUBAOCCLHCPZ-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837456998 RYAQTNTYHQBTRJ-OAQYLSRUSA-N 440.460 -0.536 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1837921050 VPZLQKGWKNYONE-AERCQKQUSA-N 442.321 -0.129 50 20 IBGD Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838680985 SWSAYQOGBSLBTK-FQEVSTJZSA-N 443.464 -0.900 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839200089 DEEIQTBCYLIEIE-WFASDCNBSA-N 449.281 -0.534 50 20 IBGD CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CC1 1844264020 VBSQXEPNOQXSMA-UHFFFAOYSA-N 429.525 -0.860 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)no1 1844264353 JSZVHVOWUPVLCB-UHFFFAOYSA-N 441.448 -0.771 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 729619802 UOWSEUFLHJLOFN-CVEARBPZSA-N 439.538 -0.191 50 20 IBGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 731861452 BRWXAHRUBOVETN-UHFFFAOYSA-N 430.465 -0.229 50 20 IBGD Cn1cc(C(=O)NNC(=O)CC2(CC(=O)NNC(=O)c3cnn(C)c3)CCCC2)cn1 735445237 PXYLOEKUMIEWDA-UHFFFAOYSA-N 430.469 -0.284 50 20 IBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440338 GPAMCOLHSVXTGZ-ZPWNPBNNSA-N 440.412 -0.587 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748110923 DJWFYVCFMLDIIO-UHFFFAOYSA-N 430.483 -0.544 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1 749452036 WGBRCARZPSXCJX-ZDUSSCGKSA-N 429.510 -0.210 50 20 IBGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cccc1S(=O)(=O)NC1CC1 756704263 FCSJFQVKICBYRH-SNVBAGLBSA-N 433.512 -0.474 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 760439211 GWMFWTZAIOZDCD-UHFFFAOYSA-N 449.512 -0.032 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cn2)CCN1 763678416 FJXMHGURCDGHSL-UHFFFAOYSA-N 430.396 -0.678 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 769850277 PWPMPRFUUFXXSW-UHFFFAOYSA-N 426.476 -0.190 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)[C@@H](C)O)cc1 779526454 AJUHRFMDBGTPSM-IUODEOHRSA-N 435.462 -0.796 50 20 IBGD CC[C@@H](CO)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 779590207 SELMHXOCOGNEBR-HNNXBMFYSA-N 442.476 -0.406 50 20 IBGD COc1ccccc1-n1nccc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 797400606 HXLGTWJANJURKD-UHFFFAOYSA-N 429.462 -0.084 50 20 IBGD NC(=O)c1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c[nH]1 916720595 VZZMKHWWENLYFP-UHFFFAOYSA-N 449.489 -0.472 50 20 IBGD Cc1ccc(S(=O)(=O)NCCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 919886124 UZIHVQIEPYFQHW-AWEZNQCLSA-N 446.551 -0.121 50 20 IBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1324195903 UUDQWXZNENUJCB-LLVKDONJSA-N 432.528 -0.652 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC(=O)OC(C)(C)C)CCO2 1783933695 VSDUGSYTWJJFKW-FQEVSTJZSA-N 426.514 -0.079 50 20 IBGD CCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786177944 PYWNFPBQTTZXMW-OWQGQXMQSA-N 441.492 -0.191 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786406176 XLRABIYOGMGODI-BPUTZDHNSA-N 439.115 -0.255 50 20 IBGD Cc1cnn([C@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1791592306 AXJRFENHGWFAFN-LQJIQPLVSA-N 440.309 -0.274 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc3ccccc13)C2)c1cccc(B(O)O)c1 1795738873 KKGZQJYUECBZBX-MFKICJERSA-N 449.272 -0.047 50 20 IBGD Cc1cnn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1795884909 PNSFPRGXIDVWJC-ZSBFGKGUSA-N 427.465 -0.907 50 20 IBGD C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439531 IUPPLQVQTPKIPP-YGADERNFSA-N 429.477 -0.252 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797970331 IBMPFCMAXTVFFX-XLWJZTARSA-N 434.331 -0.099 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440503 MYZYHBHLAOWUJM-APIJFGDWSA-N 426.481 -0.135 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362691 HJZNPIRPCUXORF-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1813070522 IKRFJDYOIOHWRT-YRNRMSPPSA-N 448.524 -0.477 50 20 IBGD O=C1NC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)O1 1815277900 SHPBPGSGTHFDLY-GJZGRUSLSA-N 427.226 -0.496 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825219636 DTILCXZMJKDXPA-ONGXEEELSA-N 445.505 -0.108 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836911835 CITZAWPQTRHIGP-OAHLLOKOSA-N 439.557 -0.131 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(=O)O 1837711264 ARZSAOBHKJGFSN-KDOFPFPSSA-N 431.562 -0.643 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839152288 VCZUZICGJYSJOX-DLBZAZTESA-N 436.340 -0.481 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871538 KZGVJCLKXAHNIT-IGCXYCKISA-N 432.315 -0.248 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1844288071 GNICJBPVFKRQEZ-OAHLLOKOSA-N 426.470 -0.942 50 20 IBGD COC(=O)c1sc2ccccc2c1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 731596516 NUIIDDDABXVVMQ-MRVPVSSYSA-N 435.505 -0.065 50 20 IBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 743831380 VZJUTWHYJGYHFX-QHSBEEBCSA-N 436.446 -0.595 50 20 IBGD CCC[C@@H](O)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 750423206 FETMGMSBPSERER-MRXNPFEDSA-N 426.539 0.000 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 755143694 SUPSHNFPGQCJAS-NWDGAFQWSA-N 447.514 -0.980 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 755653905 DCSPNUGUJJYSIF-GFCCVEGCSA-N 427.483 -0.222 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccccn1)CC2 764266751 KMMGEMXFHXGDRE-UHFFFAOYSA-N 431.474 -0.341 50 20 IBGD CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(=O)CO 764428932 NHSYIUCSHBPHGY-UHFFFAOYSA-N 443.526 -0.359 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1C 772889505 PLNFVNMDTMTQPK-UHFFFAOYSA-N 442.885 -0.876 50 20 IBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)O 790388369 GQSPDXJCBYHGRJ-ZCFIWIBFSA-N 429.860 -0.706 50 20 IBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cn2)C[C@@H](C)O1 814655089 SHFGBGBKHUAIAL-MGPQQGTHSA-N 445.484 -0.474 50 20 IBGD CN(C)c1ccc(C2(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 815827438 ZHBJMEBIRZTROI-UHFFFAOYSA-N 439.476 -0.621 50 20 IBGD C=CCNC(=S)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1317716466 IEGRENAVQSESRP-ZDUSSCGKSA-N 428.536 -0.090 50 20 IBGD COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1779897909 WMDFKGSQHFANJX-FQEVSTJZSA-N 441.448 -0.759 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1781997375 STAIVMXCKIBTBQ-KVFJLYFUSA-N 445.314 -0.118 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn(C)c1=O)C2 1782209440 PRDFURUTKCNGNX-VGOFRKELSA-N 447.536 -0.114 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cnn(C)c2)C1 1782590453 KLEGENSGZQWICW-DYESRHJHSA-N 434.541 -0.151 50 20 IBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978296 PHHTWNABLPYHOT-ZQNQSHIBSA-N 449.932 -0.285 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1Cl)C2)c1cccc(B(O)O)c1 1795736996 RJDCMHHPNLKWAU-XOIINTDNSA-N 429.669 -0.068 50 20 IBGD C[C@@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740561 BIAOCPDTECRTNN-JWVYWZTKSA-N 437.305 -0.157 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1800977088 RIZHBDMKNAJDCJ-OQMKEHIESA-N 428.873 -0.444 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CNC(=O)C2)n[nH]1 1821959576 JOAOODSKMWCZQN-ABAIWWIYSA-N 440.464 -0.150 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CN1 1825199488 UWWHPZPBCZMDBT-AAEUAGOBSA-N 428.279 -0.815 50 20 IBGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399439 KTJJQXILWUKFBM-KGLIPLIRSA-N 437.888 -0.354 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835938557 YFYAQYDUWACDCR-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840866994 BUXNGCKVPGANBN-OXQOHEQNSA-N 442.582 -0.041 50 20 IBGD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)C1 725871935 ILSSNLINXJMECD-IYBDPMFKSA-N 448.524 -0.128 50 20 IBGD O=C(COC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)NNC(=O)[C@H]1COc2ccccc2O1 751669117 FITRAJPJLVTXHZ-IAQYHMDHSA-N 429.389 -0.707 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 753689345 MIUZGQVZCPAZGO-CYBMUJFWSA-N 447.539 -0.695 50 20 IBGD CCOCc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756310554 OIDPRKYOAYKEPQ-UHFFFAOYSA-N 429.437 -0.177 50 20 IBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)nn1 766670306 WUYJNRWNCXWXLB-CQSZACIVSA-N 435.916 -0.050 50 20 IBGD Cn1ccc(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 782192908 CJIUEIPDKOTUFK-UHFFFAOYSA-N 435.506 -0.236 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN(C)CCOc2ccc(S(N)(=O)=O)cc2)n1 814647775 DTPIIADCGDGREU-UHFFFAOYSA-N 441.535 -0.200 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 815568989 BOGAYSVIIWYDIA-SSDOTTSWSA-N 448.299 -0.255 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)[C@@H](C)O)cc1 816874235 YIZBNVITRAWMAG-IOASZLSFSA-N 436.494 -0.976 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829892 FGQKZKJXOLMVPA-XQQFMLRXSA-N 427.454 -0.224 50 20 IBGD COCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 920862786 IIZLIZNMJFLTQH-UHFFFAOYSA-N 443.526 -0.246 50 20 IBGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)N1CCOCC1 1318161027 VAWAJKHLRIGOPU-CQSZACIVSA-N 446.913 -0.054 50 20 IBGD CCc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1779032498 LSOPUCHADMMQPW-HXUWFJFHSA-N 428.449 -0.007 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979368 ANMWHSITDKXGFQ-FNHZYXHNSA-N 426.234 -0.773 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979540 WFXBECGTYBNNEP-IHPCNDPISA-N 429.326 -0.554 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984882 UUCOHGLGQVYJFG-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccn3)[C@H]2C1 1787112636 VZCMLSKYDSTTLM-JVPBZIDWSA-N 438.488 -0.084 50 20 IBGD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)[nH]n1 1795734215 JFMLTHUQFUQZKD-CCWDJLKJSA-N 440.309 -0.096 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3ccnc13)C2 1801011628 SRRJWHUYFKPGQO-CCWDJLKJSA-N 428.493 -0.090 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1801012657 UXJCMUUODIMGMQ-VPTLXERWSA-N 443.508 -0.766 50 20 IBGD O=C1NC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)O1 1815349962 ANSOWRMWZABEDT-YPMHNXCESA-N 430.251 -0.843 50 20 IBGD O=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)=NN1 1828861881 NVLTXYREWHLLJF-GOSISDBHSA-N 426.282 -0.524 50 20 IBGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1829895510 DCAOMKGPFCWATE-OAQYLSRUSA-N 439.557 -0.842 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934065 LSMGDJQXKFIMGV-DENIHFKCSA-N 446.309 -0.604 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3sccc3F)C2)C1 1835934280 SJLNWOMAFVEYLQ-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD O=C(CCc1ccoc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939661 DAZCQDHGBSPRIU-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838762096 BYBNGTNRHKKNHW-YMTOWFKASA-N 441.794 -0.507 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203743 QFZISOJZEHPTTM-XHDPSFHLSA-N 445.822 -0.625 50 20 IBGD CN(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 728176742 ZDAUGUKZAGCBSI-AWEZNQCLSA-N 449.526 -0.048 50 20 IBGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 729666639 XTMVPOFJLWMGIF-ZCFIWIBFSA-N 430.867 -0.315 50 20 IBGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)C(=O)Nc3ccccn3)C2)nc1 753279786 NFBKBMNIRSMIQO-UHFFFAOYSA-N 427.421 -0.189 50 20 IBGD COC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755827896 IAHPPXOPVHQEIF-UHFFFAOYSA-N 429.393 -0.927 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)o1 758534124 CDXBCMPWFLZMTM-UHFFFAOYSA-N 444.329 -0.030 50 20 IBGD Cn1nccc1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 763170847 IABVLJAGZMBWII-UHFFFAOYSA-N 436.494 -0.372 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 763662014 RSPCWOQWQARIIZ-UHFFFAOYSA-N 446.464 -0.611 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763664502 XJQODCYHKZXJSF-UHFFFAOYSA-N 446.464 -0.611 50 20 IBGD C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764232107 RDARCSUPZKGSHX-QWRGUYRKSA-N 427.508 -0.038 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 764319990 UOHCBGIWIYWRAU-UHFFFAOYSA-N 430.483 -0.106 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 771278038 XXFTVGRGZMBHDG-FQEVSTJZSA-N 440.416 -0.357 50 20 IBGD CC(C)[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCCS1(=O)=O 772629255 CXTHBLXNDFFACW-ZDUSSCGKSA-N 431.540 -0.199 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 794598624 KBHNXCHJONZFSW-UHFFFAOYSA-N 432.414 -0.194 50 20 IBGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1324724034 KLDYAWYUAZPLCC-ZDUSSCGKSA-N 430.504 -0.408 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@]3(F)CCOC3)CC2)cc1 1347485010 NXHLJBDCSSLXFQ-SFHVURJKSA-N 428.486 -0.423 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2nncn2c1 1788374658 ZOUUEYNPUHDMFT-WDSOQIARSA-N 449.276 -0.684 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)N1C[C@@H]2C[C@H]2C1 1788510428 IXALCELRXJUVNX-ZVDSZYIKSA-N 441.337 -0.700 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cn[nH]c4cn3)C[C@@H]21 1791291489 WFHPHMLTCQZIKV-YEWWUXTCSA-N 443.508 -0.076 50 20 IBGD CC(C)(C)n1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794417741 NWVYRVPNKHHCMU-HGKCTWBKSA-N 440.309 -0.165 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2)c1ccc(B(O)O)cc1 1795734743 NLDUWMSNYRUDMU-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cccc(B(O)O)c1 1795739784 MBUYOCIJTHWSAD-XCCSTKFXSA-N 429.051 -0.740 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc[nH]c2nccc1-2 1796185424 VMEWKAQJMMXJLG-CCWDJLKJSA-N 434.261 -0.289 50 20 IBGD Cn1ncc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cccc21 1797087854 CXGCYVJEHBHLIY-VPTLXERWSA-N 448.288 -0.230 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1Cc2ccccc2O1 1797225912 QOFVGINPYIUMGJ-HRQSHJORSA-N 436.273 -0.427 50 20 IBGD O=C1C[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CN1 1815348353 KYTQNMHWWQPPSE-DGCLKSJQSA-N 428.279 -0.815 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1)C(=O)O 1835763849 NWUADQDTLOSEJT-HSMVNMDESA-N 436.303 -0.711 50 20 IBGD Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837369896 IKZADNSVTQXUMJ-UHFFFAOYSA-N 441.297 -0.579 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1840150607 OLKWEAUWNQVDPC-ACJLOTCBSA-N 428.873 -0.064 50 20 IBGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840189927 UFDCKVDXLQPYLS-ABAIWWIYSA-N 429.322 -0.176 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1840345298 HOFIUYWVNFDDKH-LPHOPBHVSA-N 428.917 -0.054 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 728178496 IITOBYXBDNTWPO-CQSZACIVSA-N 447.535 -0.366 50 20 IBGD COCCN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1=O 728215239 WYQKQMVDZMRGSQ-OAHLLOKOSA-N 439.538 -0.439 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCCN(C)C3=O)nc2)CC1 748665489 XRXIHBHLLQFDGV-AWEZNQCLSA-N 425.515 -0.735 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 756035057 DBOKNDFHYATBOS-GFCCVEGCSA-N 425.467 -0.288 50 20 IBGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1ccn(CC(=O)N2CCOCC2)n1 756655214 NLKSAMYCCLXHDB-UHFFFAOYSA-N 440.420 -0.143 50 20 IBGD COc1ccc(C(=O)NC2=S=C(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C=C2)cc1 757546133 OWGQBAPBMPPBIG-GFCCVEGCSA-N 437.499 -0.388 50 20 IBGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)CNC(=O)c1cccnc1 763826235 XQUOSKCQFGDXMX-FMIVXFBMSA-N 431.474 -0.061 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764427740 BFCLCGNXWDICDJ-HNNXBMFYSA-N 440.478 -0.638 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(Br)cc1F 764429869 PCOOILYUFSBVLX-LLVKDONJSA-N 448.201 -0.124 50 20 IBGD O=S(=O)(CBr)N1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 767851219 PILSTZQSCQHRLV-UHFFFAOYSA-N 434.378 -0.662 50 20 IBGD CC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Br 775672758 SLRSBUFMZRIBBD-ZETCQYMHSA-N 442.313 -0.101 50 20 IBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 777273664 DDJCXYYRBMDMOI-HOTGVXAUSA-N 444.510 -0.299 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 779622698 PPTPJTVGOPZMPI-QGZVFWFLSA-N 435.506 -0.554 50 20 IBGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 802722410 YXEQMQGZYUYAKB-UHFFFAOYSA-N 437.496 -0.067 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCS(=O)(=O)C(C)C)cc1 812441434 ZIQHGJBVIZYKKY-UHFFFAOYSA-N 434.540 -0.231 50 20 IBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 919886432 SSVGWTIMKADXPZ-CYBMUJFWSA-N 432.524 -0.511 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1779543585 IWLAKPRBVOWVSZ-QMTMVMCOSA-N 428.606 -0.055 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783532474 OKTYCZIXQUGVSH-APPDUMDISA-N 440.298 -0.147 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccn2ccnc12 1788366275 OCJVIMVSAORFHQ-VDGAXYAQSA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1788610787 UQAQIBDQBXUAAZ-JQFCIGGWSA-N 425.449 -0.618 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ncc(F)cc1F 1793579401 UOAHFQNOHBEEHJ-FVCICTRLSA-N 431.204 -0.443 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)N1CCN(C)CC1 1795115017 YPRQPRYEXKUIFH-MPTYRVRUSA-N 431.375 -0.003 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2ccccn12 1796952040 LVXHFDDCJOMCQL-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD Cc1ccn2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cnc2c1 1800081208 QIPKRSCFWMAIQC-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1801011465 OGYFXJCTDGEUAF-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)n3)CC2)C1 1809977771 GPTNRTGQJDQKCA-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)O1 1817474112 MLDLXJVDPBPXFJ-CABCVRRESA-N 427.226 -0.496 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085158 HQWMSRDAPXWXBL-MNOVXSKESA-N 439.542 -0.125 50 20 IBGD Cn1cccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935195 GLYBBIFJZPZJQK-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD O=C(Cc1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836154481 NNCCBBIRSZTSJT-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461103 OEVFNMGOTTYHBR-JOCHJYFZSA-N 443.504 -0.051 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1840182530 MTMIGUVGKORLIY-IBGZPJMESA-N 426.539 -0.163 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185096 IOCJZVBXCURPSD-JXFKEZNVSA-N 427.546 -0.844 50 20 IBGD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840896289 QMBDTQASZUDOGM-DOMZBBRYSA-N 439.918 -0.163 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)C1 1845742131 IYHQAXATHLUMCY-FQEVSTJZSA-N 432.289 -0.050 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n1 728721063 URTUXOXWTFQQIO-CQSZACIVSA-N 444.473 -0.195 50 20 IBGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1cnccn1)N1CCOCC1)c1cnccn1 741767527 YJTZANKVRYAPSV-GOSISDBHSA-N 439.480 -0.262 50 20 IBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Br 747600042 DQXGQBRVRRRWDD-SSDOTTSWSA-N 441.281 -0.109 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2nc(Br)cn3ccnc23)n(C)c1=O 750244029 VLQXYYSEGZXRQZ-UHFFFAOYSA-N 448.241 -0.618 50 20 IBGD CC1(Cn2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)nn2)COC1 759379562 UWHSKAYXBZODCX-UHFFFAOYSA-N 428.858 -0.310 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n1 761156339 OUGBQLOTJQPIGK-UHFFFAOYSA-N 437.478 -0.061 50 20 IBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 764083419 RARQTYGOVOOQQS-LBPRGKRZSA-N 442.494 -0.152 50 20 IBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 764144135 ULUZZISHGXQCMD-UHFFFAOYSA-N 428.442 -0.267 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1C 764150808 CANBLRNIOTVLRO-HNNXBMFYSA-N 432.458 -0.007 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Br 764230444 IIBSYELBMOPSHP-LURJTMIESA-N 425.236 -0.388 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 764233396 WNRMTDKDUNZSRE-IXDPVJGYSA-N 444.413 -0.662 50 20 IBGD COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 765725340 QVAZJORFHABMRK-SOFGYWHQSA-N 442.432 -0.688 50 20 IBGD CCCc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]c(C)c1C(C)=O 766644943 QUGUYDQQEBTYDF-UHFFFAOYSA-N 443.464 -0.313 50 20 IBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 770254461 RFYABXQMGHPZBB-UHFFFAOYSA-N 443.482 -0.660 50 20 IBGD Cn1cnn(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1=O 770548238 BNSXYWONWWAGCG-UHFFFAOYSA-N 433.432 -0.255 50 20 IBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 777273665 DDJCXYYRBMDMOI-HZPDHXFCSA-N 444.510 -0.299 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H](O)c2ccc(Cl)cc2F)n(C)c1=O 813488563 YVYLDBGSXQCBSE-ZDUSSCGKSA-N 438.803 -0.893 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913055415 XIWFOJXQTFOYNG-UHFFFAOYSA-N 445.461 -0.338 50 20 IBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 916136493 PYRCEHYFEOTEQB-UHFFFAOYSA-N 429.480 -0.088 50 20 IBGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 916485599 CBXLHBSBLJLDOI-UHFFFAOYSA-N 430.450 -0.285 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1783877776 PRHAVQKLHZJEKC-MPGHIAIKSA-N 434.873 -0.435 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(O)C(F)(F)F)[C@H]2C1 1784876767 ALMSMIFIQOPTTG-NEULZYRMSA-N 438.447 -0.348 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3)[C@H]2C1 1786714623 BAXJPJMXAOORMM-SNRMKQJTSA-N 444.536 -0.236 50 20 IBGD CS(=O)(=O)Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794403650 VJGXUGLCHFQOTD-NOXHYTERSA-N 445.925 -0.571 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794975890 VRGMWKMOQYDARN-NWJSVONSSA-N 425.873 -0.917 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2)c1cccc(B(O)O)c1 1795737774 SBIKULRNSUCIST-VPTLXERWSA-N 449.276 -0.986 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1CCN(C)CC1 1796191691 OIFMRKYICWKJQP-QLIIJSOBSA-N 428.342 -0.746 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC(=O)C(F)(F)F)c1ccc(B(O)O)cc1 1798339941 BDPRJSCUATYNHI-BTTYYORXSA-N 428.172 -0.276 50 20 IBGD Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C3)CCC2 1800046457 BQHAPMLXXADTCS-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814572454 NUFNTFGJXZNTGT-ZDUSSCGKSA-N 438.554 -0.240 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820140591 LWFJTRPHUAWJKQ-BXUZGUMPSA-N 442.306 -0.261 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccncc1=O)CC2 1826089920 QSHOHQIJENGJNX-GFCCVEGCSA-N 447.521 -0.315 50 20 IBGD CN[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1826940861 LICJWBWFBNNGPI-RTBURBONSA-N 445.325 -0.338 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829831483 MAGILHQVSFKMHB-ICSRJNTNSA-N 438.481 -0.858 50 20 IBGD O=C(c1cccn2c(O)nnc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727963 LMTQSNDMRPOZRM-FZKQIMNGSA-N 439.856 -0.895 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833827856 WHBAYJAFDDGGHU-UGSOOPFHSA-N 428.873 -0.064 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)O1 1835930547 MMYPAKWMSRADTK-FQELHTAISA-N 432.282 -0.996 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1835934383 RGBCUWRSYDHZSU-XLIONFOSSA-N 434.323 -0.668 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836193617 IEUYEDKIAWEIDE-NRFANRHFSA-N 433.509 -0.547 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216392 RTWAOZDWTSRMLE-DCGLDWPTSA-N 432.315 -0.153 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842943908 OINGGBAENFGDOC-STQMWFEESA-N 445.948 -0.085 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCN3CCCS3(=O)=O)cc2)CC1 728216061 OXYNWGLHJXQQJM-UHFFFAOYSA-N 445.567 -0.509 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 729275126 LPBCQZHKHSHBNM-CMPLNLGQSA-N 438.462 -0.840 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 745588731 FBHPGYOGGBRFFL-UHFFFAOYSA-N 433.442 -0.128 50 20 IBGD CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(CC(=O)NNC(=O)C3CC3)C2)CC1 746492259 GVCQWKMMKUTMJU-UHFFFAOYSA-N 445.542 -0.890 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)c1 750366457 LMGJHNICAMUBTO-UHFFFAOYSA-N 449.423 -0.193 50 20 IBGD O=C1CN(c2ccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2Cl)CCN1 755938690 XMIDHECOBIJWSU-JTQLQIEISA-N 429.886 -0.136 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCCC[C@H]2CNS(C)(=O)=O)cc1OC 756486354 AGQPRMAALSCGDM-AWEZNQCLSA-N 428.511 -0.132 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 764232940 UDJJHWOTKUFAOG-SNVBAGLBSA-N 431.902 -0.036 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CNC(=O)c1cccnc1 764345348 SFAZMVVUIFOUCB-NSHDSACASA-N 439.881 -0.021 50 20 IBGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1)C(=O)C(F)(F)F 764424971 LMBOBGVUDIPXLT-GFCCVEGCSA-N 432.355 -0.291 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 771894493 QGWBNSZEOBTMJP-LLVKDONJSA-N 428.467 -0.198 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)n1 778706799 CQFZTJGMHXQPDG-UHFFFAOYSA-N 446.439 -0.102 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1ccccc1S(N)(=O)=O 788228576 NGCHPGWXYBXFOB-JTQLQIEISA-N 430.512 -0.506 50 20 IBGD Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(=O)c1 790686985 CPGGYBLXXGJBJN-IERDGZPVSA-N 445.428 -0.562 50 20 IBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 792017002 FBYCGDCYJYBZBD-IBGZPJMESA-N 436.490 -0.381 50 20 IBGD CN(C)C(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1318043568 YANUTUXXLVOPFS-UHFFFAOYSA-N 438.510 -0.171 50 20 IBGD O=C1NCc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)ccc21 1778724036 VOBSUORHGLEGEP-HSZRJFAPSA-N 449.272 -0.633 50 20 IBGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779036863 HLHOWLSWLORRIG-HXUWFJFHSA-N 445.476 -0.528 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779501518 LVYBZXQHISEDPZ-IBGZPJMESA-N 430.657 -0.433 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331141 KFDHVXUKYPMWOQ-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783354516 BWZMIIPBBXLWKD-ZBEGNZNMSA-N 434.287 -0.467 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1783937405 KAVRJVQKLGVVAI-BTYIYWSLSA-N 432.525 -0.283 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784499944 OEDYJLRFKUXBCV-BTYIYWSLSA-N 441.492 -0.339 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3O)C[C@@H]21)c1cccc(B(O)O)c1 1786985016 KLCMTZRTXSCNPC-DCPHZVHLSA-N 440.261 -0.315 50 20 IBGD CN1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)C1 1789740132 FXXHJLCQARUHCT-PDWMJMLSSA-N 444.536 -0.380 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797793125 LDCRLEVFQFDBEJ-DALJILGISA-N 449.298 -0.146 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1800975039 IUOQGDYNPJYAOE-DIURFFJMSA-N 432.930 -0.368 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)O1 1827050201 IJTYCVJOIKOVRU-ROUUACIJSA-N 429.282 -0.292 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1)[C@H](O)CCl 1833312222 LLQPXTDFORCYJD-HZPDHXFCSA-N 435.974 -0.265 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1838010541 DHNYKZWMWMMPFZ-UHFFFAOYSA-N 442.480 -0.271 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385901 JGEXJCGGCSJEBD-HNNXBMFYSA-N 430.509 -0.224 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745480666 FMPSKETUQALEKP-KFZJALRRSA-N 426.385 -0.975 50 20 IBGD COC(=O)Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756225313 WQOQBMGYVRDODD-UHFFFAOYSA-N 443.420 -0.998 50 20 IBGD COCCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 757822662 KFGWLQATUXMTMT-NSHDSACASA-N 436.512 -0.413 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 762361547 PDGCCUQZNKQEBH-OLZOCXBDSA-N 441.531 -0.030 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 763809851 RMYWHQFKUWSVGR-UHFFFAOYSA-N 430.465 -0.311 50 20 IBGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 764198188 DBOGPKCIFSTOCH-UHFFFAOYSA-N 440.526 -0.315 50 20 IBGD CSc1ncc(Cl)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 765725034 PFRDJGHRHDQBLU-UHFFFAOYSA-N 438.857 -0.940 50 20 IBGD CCn1nc(C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c2ccccc2c1=O 766760154 YIILJUKPUYMEFZ-UHFFFAOYSA-N 446.464 -0.182 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 770623719 ZCMBMBZHDQITAL-UHFFFAOYSA-N 428.405 -0.086 50 20 IBGD CN1CCN(c2ccc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CC1 771558053 TVCUUCADCKFOOV-UHFFFAOYSA-N 438.492 -0.664 50 20 IBGD CS(=O)(=O)N(c1ccc(OCCNC(=O)NNc2cccnn2)cc1)S(C)(=O)=O 773721556 KRPUBSYPJFPDJL-UHFFFAOYSA-N 444.495 -0.093 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 812730190 ATZYAPCIDCALBX-UHFFFAOYSA-N 425.492 -0.122 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 814482143 MDWJUXTWDHMGTB-ZDUSSCGKSA-N 449.493 -0.286 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CC(C)(C)Cc3nc(N)sc32)n(C)c1=O 814877616 SQJPKNWSFOMIPO-UHFFFAOYSA-N 430.494 -0.035 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1779028098 DDVWMKKWDRAGMO-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783344067 YIFNOBVOZZTYHM-BXUZGUMPSA-N 442.247 -0.285 50 20 IBGD O=C(CCc1cnc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785221336 XHOMIZGHOJTLHY-SNRMKQJTSA-N 426.282 -0.684 50 20 IBGD Cn1cc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982752 ANKYZIAIFKPYRW-FNHZYXHNSA-N 429.257 -0.249 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]c(C2CC2)c1F 1794480100 FGXDQVIBDMAAQH-XOIINTDNSA-N 442.256 -0.377 50 20 IBGD Nc1ccccc1/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795654061 YESGFRPAGNQICO-PCLDGEOKSA-N 435.289 -0.135 50 20 IBGD COc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740363 XTDYCSPGHPBSAK-XOIINTDNSA-N 430.291 -0.047 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797713473 PQXQLBWTDKKINP-DLTLXFJOSA-N 431.493 -0.539 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cn3cncn3)C2)CC1 1810147113 ODMGDMXOYMKYGV-UHFFFAOYSA-N 426.481 -0.178 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1813030456 HHCYHPPYLNTIIO-QBYUYEEZSA-N 425.917 -0.066 50 20 IBGD Cn1nccc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834212151 QAYPVAJYMUMTQQ-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD O=C(CN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835398088 CHKHNGFTUBUODN-GDBMZVCRSA-N 438.294 -0.535 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837410463 NSVKZPNNUOSYEJ-WIYYLYMNSA-N 430.266 -0.871 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840580425 JAMGEOQDDMZGCB-HNAYVOBHSA-N 428.555 -0.289 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1 26772666 WUVGXHHCRZHBAA-UHFFFAOYSA-N 437.478 -0.919 50 20 IBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728328605 WPTMVRMHVAANPH-DOMZBBRYSA-N 441.462 -0.669 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732474418 LXYWOTXSUOJDJC-INIZCTEOSA-N 439.494 -0.244 50 20 IBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)C(=O)N3CCCC3)CC2)c1 748240434 WJIOWCXLZVMYDO-UHFFFAOYSA-N 437.522 -0.783 50 20 IBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 751282504 MNQUUCNBFXBCPT-UHFFFAOYSA-N 441.443 -0.043 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC1CC1 757864598 IUSPWNIXGHZWDC-JTQLQIEISA-N 433.512 -0.474 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 764225605 BCTLPBJLQRIPFF-QMMMGPOBSA-N 429.455 -0.027 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 764232124 RJWLYLDERCWANJ-SSDOTTSWSA-N 444.363 -0.210 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914829883 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COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840150174 HDSLMYGCUZPYHZ-LIRRHRJNSA-N 443.884 -0.988 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840184940 HUYRSAFWIVYAEG-MRXNPFEDSA-N 425.313 -0.381 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc21 1840187958 HMIYNYKVCHBEJV-QGZVFWFLSA-N 446.291 -0.500 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840598933 ATLDIGHTKAHBFF-GSGOXKDTSA-N 429.477 -0.445 50 20 IBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 16230145 DXWITFWDJZYNLR-UHFFFAOYSA-N 436.446 -0.151 50 20 IBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 727943891 KDKGJVZQSMHQLB-UHFFFAOYSA-N 432.524 -0.150 50 20 IBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)Cc1cc[nH]n1 730090507 FEJOWOSFICMMFG-UHFFFAOYSA-N 448.505 -0.587 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)c1 735028280 HYZHMQAVMKBSQR-UHFFFAOYSA-N 437.478 -0.811 50 20 IBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755287024 UOWHSWTYPIULND-UHFFFAOYSA-N 436.494 -0.500 50 20 IBGD CC(C)C[C@@H](CCC(=O)NNC(=O)N1CCOCC1)C(=O)NNC(=O)N1CCOCC1 759170133 GYDDKCHAIWJAQQ-OAHLLOKOSA-N 442.517 -0.425 50 20 IBGD NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)C1CCC1 760315898 WEMOOPHZHRBVFL-ZDUSSCGKSA-N 440.478 -0.682 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 763573487 SIVFFWXDRJUMNP-OAHLLOKOSA-N 448.457 -0.171 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 763681057 IIRCTXSKRVWYQT-OAHLLOKOSA-N 449.423 -0.072 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 764421003 INZBKKMKTZGNKG-DVZHBHJUSA-N 438.506 -0.132 50 20 IBGD C[C@@H](Oc1cccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1)C(=O)O 764816502 JWCUHWZXENQGHK-LLVKDONJSA-N 428.405 -0.564 50 20 IBGD C[C@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 765313411 MFUSOIUUKATVMA-FPVZYODXSA-N 438.481 -0.010 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 779350714 RUTYMKCPHLPXRQ-ZDUSSCGKSA-N 430.483 -0.088 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)c1=O 785059986 FPIKGQNYLKJYLG-UHFFFAOYSA-N 434.416 -0.453 50 20 IBGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 786719186 QQUWIZLKDCEXEA-NSHDSACASA-N 425.460 -0.470 50 20 IBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNS(=O)(=O)c1cccnc1 809937848 JZCACTOQKCZKBW-UHFFFAOYSA-N 446.533 -0.280 50 20 IBGD COc1ccnc(NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n1 914762865 UTWDUFLAWFBYTH-ZDUSSCGKSA-N 443.507 -0.290 50 20 IBGD COC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 915305662 MDHXWBKHYFKEAA-UHFFFAOYSA-N 443.482 -0.063 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1779031236 OVORPRZRIARTGZ-LJQANCHMSA-N 430.490 -0.172 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781813049 TXLFMRXNMQJVRX-OAQYLSRUSA-N 442.233 -0.760 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cncn1 1782531612 NIJWHXOEIFXILZ-JXXFODFXSA-N 435.529 -0.274 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788610657 OMAKTSPLABXWOI-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736226 OMUNRLADDAPSNA-CWPLJXCYSA-N 426.282 -0.848 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ccnn2c1 1800024838 AJJGGJLKQZYZOX-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806642019 ZFJHBTPELQIMRK-GUXCAODWSA-N 430.509 -0.261 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367785 VUIKTXOTVIOYKA-WIYYLYMNSA-N 438.293 -0.393 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312305 KULJVRHYGGNINT-SJORKVTESA-N 432.949 -0.691 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccno1 1834182772 DXWINPSFNTXJPW-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c[nH]1 1835937358 SBBUQMJPWFEMPM-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837262434 HPHRSKOYLWBIHU-HKFHZZIHSA-N 433.465 -0.695 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633020 RIQWKZYRWXEQGR-PXAZEXFGSA-N 443.298 -0.129 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633021 RIQWKZYRWXEQGR-SJCJKPOMSA-N 443.298 -0.129 50 20 IBGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205328 DEPXMOVAZKYXAA-SMDDNHRTSA-N 425.707 -0.030 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1840187236 OPWAKEOCAOWLQG-ZWKOTPCHSA-N 432.468 -0.139 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840801153 MVQKTKNUQVOIDV-AUUYWEPGSA-N 449.932 -0.043 50 20 IBGD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cn2[nH]cnc(=O)c12 1843011782 RPTPGTGJGNBGRG-UHFFFAOYSA-N 435.249 -0.858 50 20 IBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)COc1ccc(C#N)cc1 16225127 WYJMTPBLCGKEFB-UHFFFAOYSA-N 447.473 -0.242 50 20 IBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727943529 NAYINTXWBJLVDI-UHFFFAOYSA-N 432.524 -0.150 50 20 IBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCC 729275842 SBYVQOGGAOYBRR-NSHDSACASA-N 430.483 -0.701 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 732264609 VTCXSZIDPRRPLS-BETUJISGSA-N 435.437 -0.033 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 764225699 CJKVQNVBNSPCGR-LLVKDONJSA-N 434.478 -0.227 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 778443407 QAADCVINUZUYOA-UHFFFAOYSA-N 425.467 -0.213 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 799258973 LXWQFTRZKWOUAI-CZUORRHYSA-N 436.465 -0.258 50 20 IBGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 813367724 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CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1792884626 UEALUCUHEFDSTJ-NDKCEZKHSA-N 435.905 -0.939 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2)[C@@H](O)CCl 1792980189 FHUQFIQXIWTCAK-QPPBUOOMSA-N 426.882 -0.441 50 20 IBGD CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1795414997 RQDTXTDRSNDJOY-KPEUIFRASA-N 444.937 -0.178 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nn1C(F)F 1795735001 HCFFAHNKTDJZPZ-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(O)c1F)C2)c1cccc(B(O)O)c1 1795739902 ODGHZWCIZAISLN-DBWKPXFBSA-N 446.215 -0.133 50 20 IBGD O=C(CN1CCOCC1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967818 LTORPIHWHLYFAX-UHFFFAOYSA-N 429.326 -0.457 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1)c1ccc(B(O)O)cc1 1821697601 MUWOGZKAFKMKOV-LBPRGKRZSA-N 442.262 -0.157 50 20 IBGD CS(=O)(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822967829 MFECXJYUARZOGE-INIZCTEOSA-N 448.310 -0.170 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1830543738 BEEHMCZWABXIEV-PBFPGSCMSA-N 432.315 -0.390 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535966 FZIPVOOJQXMAJI-DNVCBOLYSA-N 427.885 -0.291 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839963606 QDQCLFNMHLEWFB-YJBOKZPZSA-N 448.358 -0.052 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840035946 AQWHRIDJEFLLIF-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840474150 JPYZBNOWPVZWRO-IOASZLSFSA-N 445.318 -0.279 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 726617328 ZYOKMVRZZQTMBM-UHFFFAOYSA-N 442.494 -0.422 50 20 IBGD N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728342744 QIBVUFCBOGBOGQ-KRWDZBQOSA-N 438.396 -0.181 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 732050401 UGUGRFBFYWNYPC-SFHVURJKSA-N 434.493 -0.065 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 732197342 GGJZUKLMZFXUNX-LBPRGKRZSA-N 429.499 -0.733 50 20 IBGD O=C(CCC(=O)N1CCOCC1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621022 MIAJRGRTLJMJFZ-UHFFFAOYSA-N 426.495 -0.210 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1COCCO1 744641848 GESKFLMXCYSTGI-DOMZBBRYSA-N 442.450 -0.442 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 746591889 QDVABKFGEIUREB-ZCFIWIBFSA-N 445.273 -0.396 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(C(N)=O)nc3)nc2)CC1 753952788 BXNFXCOOXFSFLF-UHFFFAOYSA-N 448.509 -0.662 50 20 IBGD CCC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765731415 RNHYAUWVVBCVRU-UHFFFAOYSA-N 427.421 -0.757 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccnc(Br)c2)n(C)c1=O 766639130 NMJADMYSTDYCRM-UHFFFAOYSA-N 436.226 -0.948 50 20 IBGD COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 800107077 MBCRBIMJAFMIFD-UHFFFAOYSA-N 433.350 -0.607 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806979028 PZSAGKVISWBHGB-CVEARBPZSA-N 437.456 -0.193 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 906369606 RDAHFDNHNPGCNL-HNNXBMFYSA-N 427.460 -0.256 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1OC 916526406 JSEDHXFVRUAYJP-FQEVSTJZSA-N 448.432 -0.272 50 20 IBGD Cc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779029338 VYCYMIFRFWWEGY-HXUWFJFHSA-N 425.449 -0.459 50 20 IBGD CN1CCC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)C1 1780572246 HYUMXLOYCVERED-JXHRLWIKSA-N 443.353 -0.164 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1783934462 GPEQUYRVPUGRRY-JOCHJYFZSA-N 443.504 -0.254 50 20 IBGD C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726675 LXCNGQKRUISEKA-FHWLQOOXSA-N 427.505 -0.055 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc(=O)n2[nH]cnc2n1 1795731496 KYIAKXGGIUQFNQ-IWXIMVSXSA-N 443.233 -0.689 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797029830 MRYGNOCSRCMDBN-ZSBFGKGUSA-N 429.481 -0.695 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1807364907 LALWXSDWOHBYEQ-RYQLBKOJSA-N 438.249 -0.811 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1)c1cccc(B(O)O)c1 1817476859 SSJSSIKWPOFJCT-MRXNPFEDSA-N 436.237 -0.208 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833544239 LLYMWLXSIDPPOR-NRFANRHFSA-N 442.476 -0.295 50 20 IBGD C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800142 XPVZTSNTSPVFGQ-QGZVFWFLSA-N 441.337 -0.410 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192588 OBCSRNBRKSWPOR-NRFANRHFSA-N 447.492 -0.818 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCCC3)C2)C1 1837456217 FSSOKURXQREHST-NRFANRHFSA-N 429.477 -0.135 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837457806 RTUGLAHUXOVYLL-OAQYLSRUSA-N 447.492 -0.818 50 20 IBGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205326 DEPXMOVAZKYXAA-FZMZJTMJSA-N 425.707 -0.030 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1839917563 NXCUIIYLMYRMKW-APWZRJJASA-N 435.949 -0.863 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840153844 BXSJGOOOYCKCLZ-UGSOOPFHSA-N 428.873 -0.191 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840535085 CPCVPCDUVVNLEN-IAXJDVGUSA-N 447.492 -0.387 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840801156 MVQKTKNUQVOIDV-LIRRHRJNSA-N 449.932 -0.043 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 728510279 VWGFZXXGLIWLHA-QMMMGPOBSA-N 446.429 -0.774 50 20 IBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)=NN1c1ccccc1 728848044 UEFWYDCJKZKBGP-QGZVFWFLSA-N 436.476 -0.039 50 20 IBGD C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 756049787 TZCFASPWWRLOIQ-HNNXBMFYSA-N 432.481 -0.016 50 20 IBGD Cc1c(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C 759607819 IBKXHDDYAQKPND-UHFFFAOYSA-N 436.494 -0.106 50 20 IBGD COc1cc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc(OC)c1OC 763824399 IYDRZLHFJSMWCT-UHFFFAOYSA-N 445.432 -0.585 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)Cc3c[nH]c4ccccc34)cnc2n(C)c1=O 763864442 ATPIRRAUYVIWSU-UHFFFAOYSA-N 449.427 -0.558 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCCC1 764204761 YQWQVMHFPAJMQS-UHFFFAOYSA-N 441.510 -0.483 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 764399613 KWKSRNMAGAYBSZ-GFCCVEGCSA-N 427.421 -0.047 50 20 IBGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1ccnn1C)N1CCOCC1)c1ccnn1C 766018884 BQVQUQWWZNKJSA-SFHVURJKSA-N 443.512 -0.375 50 20 IBGD CN1CC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 777832638 QCAGAYPCLPGUSM-UHFFFAOYSA-N 425.305 -0.513 50 20 IBGD COC[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)OC 781395156 VKVKBOARUWTUDC-AWEZNQCLSA-N 430.483 -0.687 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 812728256 JCWAXQOEJDOIJW-HNNXBMFYSA-N 439.538 -0.439 50 20 IBGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 916233226 SNLDJPCCWCWNGM-UHFFFAOYSA-N 436.479 -0.224 50 20 IBGD Cc1cnc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnn2c1 1778523251 BYHSABKAYLURJM-JOCHJYFZSA-N 449.276 -0.525 50 20 IBGD CC1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779029230 OVSAKRRMVGIHII-QFIPXVFZSA-N 444.536 -0.140 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782785610 PCYJLYYLOHJFTC-CXAGYDPISA-N 428.829 -0.814 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783533479 XJXHEYJHSRIDCK-GXFFZTMASA-N 428.220 -0.676 50 20 IBGD O=C(CCCn1ccnc1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784395751 AZRHKRJSXROQSP-OAQYLSRUSA-N 426.282 -0.513 50 20 IBGD Cn1ccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786164659 XKEMYXYGYOEOLE-RCBQFDQVSA-N 427.465 -0.674 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnn2c1CCC2 1790388143 FWVBCKSPMFTOLU-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(F)(F)F 1797748686 UGPQNOOEMGKUAS-YDXZUZSKSA-N 445.398 -0.798 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1798359413 ILJSGMDAEDFZJQ-CBKYIJDSSA-N 440.460 -0.343 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798477044 ZBYYJYTVYSBFRU-YVSFHVDLSA-N 440.497 -0.508 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805517848 LGAMTNWBGFPVBP-HNNXBMFYSA-N 435.974 -0.452 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810225519 MBJXQGOIRLXQKS-LIRRHRJNSA-N 429.481 -0.664 50 20 IBGD CN(C)C(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402298 ZWQNHQKRGMVZLW-CQSZACIVSA-N 428.453 -0.198 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1826085053 BDDCBKZDTCQKLJ-LLVKDONJSA-N 436.542 -0.732 50 20 IBGD CN[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1827050786 GLYQNRJGCMJKFT-RBUKOAKNSA-N 445.325 -0.338 50 20 IBGD O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728600 VVHPADUPFXPTCK-HNAYVOBHSA-N 426.901 -0.042 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 1834015519 FBXHKWKPSBKLBG-NRFANRHFSA-N 440.460 -0.536 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1835929414 OSFWAQZSQZJHGZ-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 1835935062 DOZVVGSKOJWKFJ-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD O=C(c1ccsc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935589 UVMPJXKOWZXNMD-FQEVSTJZSA-N 430.291 -0.188 50 20 IBGD COC1(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CCC1 1835939604 BQISMGWQJFONAI-JOCHJYFZSA-N 446.309 -0.604 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535803 KCXOLIFGXIHFOL-SFHVURJKSA-N 448.992 -0.902 50 20 IBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459863 NQAGUZHDYBXBNM-IFZYUDKTSA-N 431.493 -0.199 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837499185 FDVZRDGPBJIJAG-BXWFABGCSA-N 448.900 -0.045 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839225139 YOPIFIFGFNEYBV-KKSFZXQISA-N 447.297 -0.763 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840183858 FBJKNIXQYXCGKO-GOSISDBHSA-N 440.526 -0.832 50 20 IBGD O=C([C@H]1CC(c2ccccc2)=NN1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014829 GKNVSJWEGRIWHB-HXUWFJFHSA-N 432.289 -0.050 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1843416548 WGFMJNILFBPMJG-MXJLDLDKSA-N 443.552 -0.040 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478348 NAMRFKRBTHBTAJ-OXHZDVMGSA-N 449.489 -0.788 50 20 IBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 743448087 XTTQPJZUXQFVFJ-UHFFFAOYSA-N 435.462 -0.008 50 20 IBGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 751112066 RNEAPODEXAKTJY-UHFFFAOYSA-N 436.513 -0.034 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)n1 760004304 SKHVOZIMCIQVQG-UHFFFAOYSA-N 444.466 -0.198 50 20 IBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)O1 760204858 UPSJESYZWIAWQU-DZGCQCFKSA-N 439.494 -0.552 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3cnn(C)c3)CC2)cc1 765730937 YHOVGYWAMLEFCL-VMPITWQZSA-N 446.533 -0.104 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772195022 GSARAFMTUYVDKB-VDERGJSUSA-N 448.863 -0.344 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NC)c1 784661358 BXFZNROQKPUMGG-UHFFFAOYSA-N 435.528 -0.790 50 20 IBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(Br)c(S(N)(=O)=O)c1 797402777 OEMHGRBPTDMBQP-MRVPVSSYSA-N 441.329 -0.126 50 20 IBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(Br)c(S(N)(=O)=O)c1 797402778 OEMHGRBPTDMBQP-QMMMGPOBSA-N 441.329 -0.126 50 20 IBGD COc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)cc1C 797677556 XCLHAIZTFBKBFQ-UHFFFAOYSA-N 429.437 -0.088 50 20 IBGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779037792 IPAMAOIOFISCPQ-FZMZJTMJSA-N 425.324 -0.009 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)N1CCN(C)CC1 1780637581 XTXNNELTKHLMFS-MIALQEHNSA-N 430.977 -0.264 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783876327 OJGXRCYBMDNIQV-KZULUSFZSA-N 425.873 -0.676 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1783934659 JXEANUYCJGVBOJ-OAQYLSRUSA-N 443.508 -0.525 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784545103 BFVKVPMUISXNRB-ZHRRBRCNSA-N 439.277 -0.328 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784631578 CWQAZBTWTCBQPD-LHSJRXKWSA-N 441.492 -0.105 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787521474 XVNNXHGFUCUSNX-ZUXXIDCJSA-N 446.508 -0.855 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1)C2 1796439826 DPTFKBMRUSGNHF-GWGBFROSSA-N 430.509 -0.194 50 20 IBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)no1 1797754343 RZRVKPAJZCCPPF-IVWMJMPLSA-N 428.449 -0.573 50 20 IBGD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)[nH]n1 1798132662 OOILPPSRFSRWMF-CCWDJLKJSA-N 440.309 -0.096 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372970 LICSFBYHXFTEGM-YLJYHZDGSA-N 427.266 -0.910 50 20 IBGD CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812662259 ADRHCJXSXXQJON-DYESRHJHSA-N 432.525 -0.013 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725506 JFEJWFOXJMGIEO-LPHOPBHVSA-N 437.884 -0.513 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728552 UOVMTNYGVPOAJZ-KUHUBIRLSA-N 437.884 -0.293 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839145502 JXNDFAOJENTFRL-BXWFABGCSA-N 448.900 -0.045 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840030595 PQOHZBXIOIQDTN-MLGOLLRUSA-N 434.287 -0.322 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1848218437 YSOLCRXDIACLND-KCXAZCMYSA-N 446.508 -0.433 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CN(C)C)c(=O)n2Cc1ccccc1 727369120 FSJAKZNGPPJDDN-UHFFFAOYSA-N 427.465 -0.863 50 20 IBGD O=C(COC(=O)[C@H]1CCCN1c1ncccn1)NNC(=O)[C@H]1COc2ccccc2O1 728323632 OUQZCFZCQDAAEX-CZUORRHYSA-N 427.417 -0.024 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 735511593 HLJUWAYHECHDLT-ZDUSSCGKSA-N 448.509 -0.229 50 20 IBGD C[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744362072 KYSATVAZUHWGQS-YGARTUKASA-N 435.458 -0.598 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N1CCOCC1 751273032 VFKWMLUBLSZEIF-UHFFFAOYSA-N 446.429 -0.238 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752156668 WHDLPHFEVIQGHU-SNVBAGLBSA-N 446.532 -0.295 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 764227644 OTVLVPIHIBPAFO-STQMWFEESA-N 441.510 -0.897 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OCc1cscn1 764227672 PUUCOVVSNSCTPK-SNVBAGLBSA-N 441.491 -0.254 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc(F)cc2Cl)n(C)c1=O 765721964 QRRNRAKJYNRAQH-UHFFFAOYSA-N 438.803 -0.547 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(Cl)nc3ccccn23)n(C)c1=O 766636750 OTSFSGFKKUDXST-UHFFFAOYSA-N 430.812 -0.804 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 766651831 NBORHNMBNOWKKL-INIZCTEOSA-N 439.476 -0.632 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1OC 789375860 XFXBAZFFOYRQDX-HNNXBMFYSA-N 440.522 -0.035 50 20 IBGD C[C@@H]1CC(=O)C[C@H](C(=O)NNC(=O)c2cccn2C)[C@@H]1C(=O)NNC(=O)c1cccn1C 791124677 SCSWHVCDSWEWKB-HACGYAERSA-N 442.476 -0.183 50 20 IBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)N3CCN(C)CC3)CC2)c1 807380539 JCGZWIKQTGGQAD-UHFFFAOYSA-N 438.554 -0.565 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 915141101 CJTUEALINVSNID-KGLIPLIRSA-N 429.520 -0.331 50 20 IBGD CCOc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1 1780425820 DARZDWKUENKCML-NRFANRHFSA-N 440.265 -0.688 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1783935395 PTHWRKCVNUDJOD-FQEVSTJZSA-N 433.465 -0.373 50 20 IBGD CCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610603 KLMWOODUINVONB-OWQGQXMQSA-N 441.492 -0.191 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2cccnn2n1 1789142402 PAGWFIXGFLKMBT-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc([N+](=O)[O-])o1 1792354944 GOIGIGNHDVFHPF-FVCICTRLSA-N 429.194 -0.615 50 20 IBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)(C)C 1793194669 OHIPDZHYCSCTSJ-UKBAYJJMSA-N 445.325 -0.880 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794058548 ZAHAPYJGJBNFCC-FAMUFBACSA-N 443.464 -0.356 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccc1C=O 1795737539 SMKDCEQZCOVYHL-REGYPHIPSA-N 439.277 -0.555 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1ccco1)c1cccc(B(O)O)c1 1796284680 OSMUHJXBYORYRQ-BJWYYQGGSA-N 425.250 -0.359 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980846 XYRAXBXXTMIDGR-SFHVURJKSA-N 427.310 -0.168 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)N1 1816965245 VFKCQBOICXEKBT-HOCLYGCPSA-N 425.254 -0.326 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1819797412 BKPMFGPFMVPRFU-QMMMGPOBSA-N 442.461 -0.757 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CN1 1825199494 UWWHPZPBCZMDBT-YPMHNXCESA-N 428.279 -0.815 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCN1 1826216522 QSIBZVILWNUYKP-TZMCWYRMSA-N 442.306 -0.425 50 20 IBGD COC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055486 ZERCBRDKNNMCAE-GOSISDBHSA-N 431.298 -0.044 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829984829 ONLKFWMJBWNZNS-IBGZPJMESA-N 438.236 -0.518 50 20 IBGD COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831627901 GHUUIGARXGHTRD-VBKZILBWSA-N 435.481 -0.962 50 20 IBGD CC(C)NCCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834780902 PQXIGXIQSLBAKX-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837316307 YXWCTWPHRIOVOI-YGRLFVJLSA-N 432.779 -0.852 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1837702679 GYMMVWGGXZLGRW-PBFPGSCMSA-N 432.315 -0.083 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079535 CMMIUUWOKSGAGS-LOUJCGABSA-N 434.331 -0.661 50 20 IBGD Cc1cc2nnc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c(C)n2n1 1843697412 ZPYQWHDNZRPQGV-UHFFFAOYSA-N 434.265 -0.448 50 20 IBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729629375 BEHRRHHSLCFKQW-CYBMUJFWSA-N 427.512 -0.516 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3O)cc2)CCN1 730781039 CWIOIUQGLSYJKI-UHFFFAOYSA-N 448.457 -0.647 50 20 IBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1 745986183 LVUNTXNMSIENMC-UHFFFAOYSA-N 444.510 -0.343 50 20 IBGD Cn1nc(C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 749400081 PLPVRQUFFNLPMW-UHFFFAOYSA-N 431.430 -0.579 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 758046796 UGTVIQIPGWZTKX-LLVKDONJSA-N 434.540 -0.397 50 20 IBGD CCN(CC)[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766645038 RMCLWWVENAGQGI-MRXNPFEDSA-N 441.492 -0.336 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=S)NCCSC)cc1 770247686 QKWKXYQXVLHJQP-UHFFFAOYSA-N 434.565 0.000 50 20 IBGD O=C1C[C@](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)(c2ccccc2)CN1 811237726 WIAHBFMIOLDBMJ-VGOFRKELSA-N 439.424 -0.025 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N1CCCC1 815779765 UQWNMNWFGCXNGO-CQSZACIVSA-N 440.478 -0.255 50 20 IBGD O=C(CCn1ccccc1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 914870847 LSMDPWXUBLXGQZ-UHFFFAOYSA-N 434.474 -0.280 50 20 IBGD CCN(CC)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915879093 NOORPCFZSBECCH-UHFFFAOYSA-N 427.527 -0.007 50 20 IBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc(C(C)C)nc21 916659036 ACQNGGAIPWGDNL-JTQLQIEISA-N 437.478 -0.164 50 20 IBGD O=C(CSCc1cc(=O)n2ccsc2n1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317977223 BSDBKWNOOFSJHH-SECBINFHSA-N 431.521 -0.493 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnc(-n3cncn3)c2)CC1 1321894050 LKKWUJLWMKOGEO-UHFFFAOYSA-N 443.493 -0.250 50 20 IBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 1343776134 YRCDEUPIXKTCDV-GFCCVEGCSA-N 436.581 -0.142 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783343060 KZCJRTKGGMNRQU-AVRDEDQJSA-N 432.521 -0.207 50 20 IBGD N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccn1 1786979519 UOGFMVUCOKBUKA-LWCVALJOSA-N 438.293 -0.945 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788305231 PRVGQDPTLDIRTN-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1791287969 ISTZCVAYMHZGPS-XIRDDKMYSA-N 433.509 -0.648 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)n1 1792980202 FSAHSMDHCQZSMW-FQLMCAECSA-N 426.901 -0.524 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1F 1796724101 HSAANTIXLRHMOV-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375381 OHBQROGIHPPUPF-JXFKEZNVSA-N 447.260 -0.522 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1810301993 FKRBIBFKBSZRIK-SNRMKQJTSA-N 435.488 -0.072 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812393216 DDNWVIJFVMQJPM-OFQRWUPVSA-N 440.884 -0.116 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340319 JCUPKGGSSOTUBQ-IAQYHMDHSA-N 444.322 -0.085 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054558 GWPFHOLXUFDDHX-RTBURBONSA-N 444.341 -0.808 50 20 IBGD O=C(Cc1cnc2ccccn12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830655833 ZNFMJJYACVFDGO-UZLBHIALSA-N 436.896 -0.067 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1835930158 ABUQYNUXLDOOIT-WIYYLYMNSA-N 430.266 -0.871 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1837738463 KTPPTRHADFAOTA-KRWDZBQOSA-N 437.541 -0.363 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837971829 JKIASVOZGIWAIY-FQEVSTJZSA-N 438.481 -0.785 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838818879 YASZVJIHYJEHNK-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839964189 JSSUGSNWJLMHBT-DOMZBBRYSA-N 431.291 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840926844 URTOOXRRZNVKAI-FQEVSTJZSA-N 442.582 -0.041 50 20 IBGD COCCn1nccc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264066 AMHIIESYQDLKBA-UHFFFAOYSA-N 427.465 -0.341 50 20 IBGD CS(=O)(=O)CCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 729158167 SBTUVAVDNHTLMM-UHFFFAOYSA-N 434.565 -0.375 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 729276793 MFOAZFQKWGRBMD-CMPLNLGQSA-N 426.451 -0.895 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccccc3F)cc2)CCN1 731330462 UUNLYTHSLYHABL-UHFFFAOYSA-N 434.449 -0.050 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c(=O)n2C 743832177 NTHLGQVHEYESNI-UHFFFAOYSA-N 437.363 -0.112 50 20 IBGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746594231 LHMNXVXRPVRHNG-BUXKBTBVSA-N 449.489 -0.497 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 749582606 LGMNRGYIDNYDBM-STQMWFEESA-N 438.462 -0.463 50 20 IBGD CC(C)C[C@H](CCC(=O)NNC(=O)N1CCOCC1)C(=O)NNC(=O)N1CCOCC1 759170131 GYDDKCHAIWJAQQ-HNNXBMFYSA-N 442.517 -0.425 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2C[S@@](C)=O)n(C)c1=O 762891585 FTLAVXRABINCPO-WJOKGBTCSA-N 447.477 -0.835 50 20 IBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 763838947 WQPJOHIYYAUVTB-UHFFFAOYSA-N 448.411 -0.954 50 20 IBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(-n2cnnn2)ccc1F 764004204 MOILGRFPBLSDAG-UHFFFAOYSA-N 427.352 -0.028 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccccc2OC)c2ccccc2O1 764130815 AGQREYMVEJZZRL-KRWDZBQOSA-N 426.429 -0.075 50 20 IBGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CC1 784005093 ZQAHUZPQMVEDOO-UHFFFAOYSA-N 442.476 -0.063 50 20 IBGD Cn1nc(SCC(=O)NN=C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(=O)n(C)c1=O 792957183 CSNCCAHUYYAYNK-ADLMAVQZSA-N 438.510 -0.070 50 20 IBGD COc1cc(C(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc(OC)c1OC 917370629 YWZYCHJBPKJJGS-UHFFFAOYSA-N 436.446 -0.029 50 20 IBGD CN(C1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1)S(C)(=O)=O 1338560983 GULCHXBZSGDXGP-UHFFFAOYSA-N 439.542 -0.210 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781761512 HECWDIYLSZTTCY-OAQYLSRUSA-N 431.493 -0.398 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795738712 CHTKPXRBTDCART-NKFKEYGXSA-N 445.281 -0.901 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1cccc1C=O 1795752357 PXPLJANHADTFMD-MFCZKXCZSA-N 433.509 -0.176 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1800979229 XFCBOSDTUNIFKP-LKQDWFRTSA-N 435.868 -0.454 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(=O)[nH]c1C 1830725201 LWZADFYVQQKHGI-FZKQIMNGSA-N 428.873 -0.944 50 20 IBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1cccnc1 1832728291 IKEGNWYILVOFIS-QAPCUYQASA-N 428.848 -0.198 50 20 IBGD C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837455665 CPLUMBKWIMWQFU-NRFANRHFSA-N 429.477 -0.279 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670457 JCXDQXOHQIHCGO-SCLBCKFNSA-N 444.872 -0.729 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840031389 OCTQLJXPTNARNV-PXAZEXFGSA-N 444.282 -0.061 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1840182541 FWNQBIDOWJHKBN-JXFKEZNVSA-N 426.514 -0.615 50 20 IBGD Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183473 GLNYYUGIUNWECT-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840450188 VHOUWCQMITUEFM-QOKNQOGYSA-N 427.885 -0.095 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847493808 JIMDQJYXYWHUBW-RDBSUJKOSA-N 436.372 -0.050 50 20 IBGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 728178878 DROGZPVQLBQZMR-ZDUSSCGKSA-N 447.535 -0.382 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2COCCO2)o1 744642242 ITJUNFQHOHSCGW-YPMHNXCESA-N 445.450 -0.828 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)c1cncc(C(=O)NNC(=O)Cc2ccncc2)c1 747324054 XQYCWHPFODEEKP-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD CCc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 754343686 OAQWGMRHCQJDBI-UHFFFAOYSA-N 439.428 -0.187 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 764231736 POHAMGHKFFIQDP-VIFPVBQESA-N 445.885 -0.510 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1sc(C(=O)OC)cc1Br 777647884 GTQOOHMPNMSUST-UHFFFAOYSA-N 430.258 -0.037 50 20 IBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 779535539 CTBHTFCTLOPTSM-CXAGYDPISA-N 439.538 -0.659 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786364261 ZYCKWHMYHKNYIR-KNCCTNLNSA-N 429.429 -0.148 50 20 IBGD COc1cccc(C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 919886838 VOZGAGSWPDFBNK-UKRRQHHQSA-N 437.482 -0.709 50 20 IBGD COc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028364 JZQDXKAWNAWHOC-NRFANRHFSA-N 440.460 -0.154 50 20 IBGD CC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969866 PSWOEJFZEZMVDY-AVRDEDQJSA-N 447.536 -0.067 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1783937068 OLHJOBZWCRSRJG-NRFANRHFSA-N 432.525 -0.275 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986801 IHBHDRLDQNRXJV-SZMVWBNQSA-N 446.309 -0.451 50 20 IBGD C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607823 LXFMIROPKIBOIN-BODMPHMZSA-N 429.477 -0.683 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1788764474 URBPOUBEOWLUFE-ULQDDVLXSA-N 431.606 -0.896 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1790961066 GESUVTIORMVRLW-QNSTZXKLSA-N 433.347 -0.268 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2)c1ccc(B(O)O)cc1 1795736713 GUSKKUYFLHMWIQ-KOUHRCEDSA-N 438.289 -0.827 50 20 IBGD C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1799283325 ABCPXRWACCVVKB-RMEBNNNOSA-N 446.932 -0.157 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1822414443 UBFCMHUFVGGCOL-GXTWGEPZSA-N 436.517 -0.632 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1822417057 WZGKWXRUXOBQJO-CQSZACIVSA-N 445.480 -0.300 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829916181 VJJMZNNXDXSQQB-RXVVDRJESA-N 432.282 -0.995 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726103 UUBPKHUFQFQOEG-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830866965 NXJDMIQBLZEAOT-RCQWNHEVSA-N 449.508 -0.406 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831425945 XUHATOGJOJFALT-IERDGZPVSA-N 432.282 -0.973 50 20 IBGD O=C(C1=CCCS1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831549915 WZXFCSBEHBDAMS-HXUWFJFHSA-N 432.307 -0.543 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831914731 CCEWWVRLGABZQX-FQEVSTJZSA-N 448.281 -0.049 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833765173 RYCCDGURLXWIML-GJZGRUSLSA-N 443.932 -0.590 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632252 GWQJBJNLOLKZET-GUYCJALGSA-N 446.346 -0.686 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935849 VBWHOIFBXFAHIF-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840153801 ZPWXAQOVMNWVGE-SUMWQHHRSA-N 436.962 -0.819 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840587635 FDNSXJKXWHSGFS-VGSWGCGISA-N 446.309 -0.747 50 20 IBGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1843496380 UGIZEMCZLJEOMO-UHFFFAOYSA-N 438.444 -0.003 50 20 IBGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)NC1CC1 726619956 USQJVXXBBJEFLS-GFCCVEGCSA-N 444.897 -0.163 50 20 IBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 735468583 OHSMYGGGHUJDKX-HIFRSBDPSA-N 427.502 -0.146 50 20 IBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3nnc(O)c4ccccc34)cnc2n(C)c1=O 755846896 OWBMXQMZIUYZBL-UHFFFAOYSA-N 436.388 -0.253 50 20 IBGD CC[C@@H](C)n1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C1CC1 760738156 XLNOZBMISQQBKC-LLVKDONJSA-N 442.480 -0.060 50 20 IBGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764229893 DHFLHSRBJJMQDK-NSHDSACASA-N 427.483 -0.904 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 765322173 HTUNLUMTSYWDBD-CHWSQXEVSA-N 446.526 -0.526 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)C1 773411368 JVWZMEGPHROSEA-ZDUSSCGKSA-N 433.531 -0.304 50 20 IBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)/N=C1/NS(=O)(=O)c2ccccc21 816871762 SMCRZMDWJJRCBQ-VXGBXAGGSA-N 431.478 -0.495 50 20 IBGD CN1CCC(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779029720 XOPGHGWYOHRQMR-JOCHJYFZSA-N 444.536 -0.140 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374184 IXPAQJBWZYYFPF-QKAVXHIFSA-N 446.508 -0.663 50 20 IBGD Cc1cnn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788610414 QQACWZPZDKJQEW-WBAXXEDZSA-N 441.492 -0.516 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793592035 WKIZEDLXFPPUBB-IVWMJMPLSA-N 447.492 -0.380 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793939626 VZOXQSXSEKYYPL-CFDXXZMTSA-N 431.287 -0.795 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794568735 RFTJPASPCNQBJO-UDQUNYCESA-N 428.453 -0.848 50 20 IBGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1795735295 WUUHQBREISJVAI-CCWDJLKJSA-N 426.282 -0.270 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736650 BQQDQUUROIANHH-OCVGTWLNSA-N 439.115 -0.257 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccn2cn1 1797100824 ZHKMWAFROIWTFH-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N1C[C@H]2C[C@@H]2C1 1797751523 CRFPAPWSJCURQX-BJDQLAMTSA-N 442.520 -0.772 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1cccn1 1797754477 YMSVAIPOELNNMP-ZJOBFFGXSA-N 427.465 -0.654 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C)n1C 1798391668 ZVWGUBDOQFXOMO-XEMDLRDOSA-N 425.294 -0.161 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2nccc12 1799973505 VGBWJVREVYRAFK-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)s1 1801009615 SDWXATIXEXJUGV-HBCWATKFSA-N 438.554 -0.258 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803142949 OZMMRDVMRYEQID-KBRIMQKVSA-N 446.895 -0.001 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)ncn1 1803737104 AHSBORDFQNQLEE-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)n1)CC2 1826085967 HVWGVKCVCKTDGT-SECBINFHSA-N 449.493 -0.057 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)O1 1827055988 QCULSAQREWGLHP-MSOLQXFVSA-N 429.282 -0.292 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827189067 XPXHBYGDBIWPKT-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1831416729 RVBAVURZHJQTRT-HKUYNNGSSA-N 427.310 -0.264 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831433322 HNHPMEPFAJVGLH-OXQOHEQNSA-N 426.514 -0.593 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccccc1)CCO2 1834708372 KIKAOQKDMWTQIU-JOCHJYFZSA-N 446.504 -0.301 50 20 IBGD CCC1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)COC1 1834799007 JIOSZRVTSVDQFO-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD C[C@H](C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1836371003 HKAVWQBIMOJAOW-VQIMIIECSA-N 444.020 -0.206 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837599585 RDZPKGABNGOKEA-BTYIYWSLSA-N 449.508 -0.431 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197985 ONXQFQMPRBGHMC-CJNGLKHVSA-N 448.245 -0.154 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1OC 750445762 KGZPMULDEUGDPE-LBPRGKRZSA-N 429.451 -0.568 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763648766 VMCBFCSYNIAZDD-UHFFFAOYSA-N 429.368 -0.025 50 20 IBGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763679289 LZOFBBYTXGSUEJ-UHFFFAOYSA-N 434.428 -0.481 50 20 IBGD COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227622 OPEZKOHACRMJCH-SSDOTTSWSA-N 432.480 -0.564 50 20 IBGD COc1cc2c(cc1C=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)O[C@H](C)C2 764812677 ODPPDLPWCZZPOG-LLVKDONJSA-N 426.433 -0.084 50 20 IBGD CC1(C)NC(=O)N(CCCC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 777836858 LPGJVVHYALSDKZ-UHFFFAOYSA-N 439.332 -0.077 50 20 IBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)O 790392687 VWPKOHGFRNMKOZ-ZETCQYMHSA-N 441.871 -0.274 50 20 IBGD CCCN1C(=O)CC[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1c1cncn1C 795081392 QKBBKNKSFSYESE-YWPYICTPSA-N 428.515 -0.805 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919885363 LEDRICPTYKQPBD-SNVBAGLBSA-N 436.487 -0.357 50 20 IBGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc2nccn12 1782356578 IBCYNWSUAHHNFF-OAQYLSRUSA-N 443.508 -0.146 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1783933791 GYCRFLJCVFEPAW-GOSISDBHSA-N 426.905 -0.261 50 20 IBGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784645220 KVIYCJBFRPDTCH-ULQDDVLXSA-N 439.557 -0.499 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1[nH]nc2ncccc12 1787343593 SHFPLLMIQLYZRB-WBAXXEDZSA-N 449.276 -0.455 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21)[C@@H](F)Cl 1787446069 UTWDIPHBCMACPX-XYDQJSOLSA-N 434.877 -0.034 50 20 IBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1789868443 FQCZGRPKRILZNV-QURTZKIBSA-N 435.308 -0.200 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnnc(Cl)c1 1794213649 VCRQAHUVQMPSIZ-XOIINTDNSA-N 430.657 -0.673 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1Cc3ccccc3C1)C2)c1cccc(B(O)O)c1 1795741374 XUYRUFRQOSASCU-VTYHHJSWSA-N 434.301 -0.015 50 20 IBGD CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(=O)O 1796090784 WCZMQRGYSZBZKO-VSNPHJFBSA-N 432.481 -0.179 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797325185 KHTOMDDISJZAEH-ZWUHOBOKSA-N 439.900 -0.526 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797838171 WVXVHKRJLNXBTE-XQKSZALGSA-N 440.460 -0.400 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350156 SUSIKPOPLPIXDK-FQPOAREZSA-N 444.261 -0.421 50 20 IBGD CN1CCN(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)CC2)CC1 1799976352 OIJGSTVEAUSBLL-ACDBMABISA-N 440.353 -0.602 50 20 IBGD CN[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1827054523 DKEXYJPYDKPTHB-OALUTQOASA-N 445.325 -0.338 50 20 IBGD O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056634 PEUKEFZJJIWMRI-SLFFLAALSA-N 429.326 -0.678 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1829773122 BQPFWRZWSXQSIG-FDVMBTMHSA-N 429.901 -0.445 50 20 IBGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)[nH]1 1831853725 LBIGHEXTESYUKK-HXUWFJFHSA-N 443.464 -0.900 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833215289 VLVCDWZDBFUEHP-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054270 QNBCBSFJYGRVLF-JOCHJYFZSA-N 443.504 -0.578 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840153436 OMBJWTWRGCOYQC-RDTXWAMCSA-N 442.856 -0.501 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840234091 TYIQTAWYKULQER-GDZNZVCISA-N 432.315 -0.248 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cnc21 733122826 BSIKIOQJVCTTDB-UHFFFAOYSA-N 441.429 -0.157 50 20 IBGD CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 734298169 AZMSOJOSYZNHTM-UHFFFAOYSA-N 439.519 -0.154 50 20 IBGD COC(=O)c1cn([C@H]2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)nn1 760655865 JTVMHCXAWSGOOD-ZDUSSCGKSA-N 426.397 -0.658 50 20 IBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 762377368 LPWXPOKPGXHMFH-CQSZACIVSA-N 425.511 -0.043 50 20 IBGD NC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Br)cc2)cn1 763693583 FAIJDOCQVSGCAW-UHFFFAOYSA-N 439.226 -0.704 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764203338 HMSAJKTXBCHCIN-UHFFFAOYSA-N 425.511 -0.183 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cccc1S(=O)(=O)NC(C)(C)C 764430014 QGVNVDKRPGZFLT-CYBMUJFWSA-N 442.494 -0.427 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 810346383 NLUMSPTWZANBCG-MRVPVSSYSA-N 446.429 -0.931 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1779028922 KSXHOLFUDPWFKS-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1779032525 RJFNRLSNNVBPCI-LAUBAEHRSA-N 447.492 -0.284 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1coc(Cl)n1 1785672598 QULRQMNHIFZSJG-NOLJZWGESA-N 433.657 -0.085 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCOC3)[C@H]2C1 1792212452 PJQGVKZDKLHHJJ-DACLVMHWSA-N 431.493 -0.295 50 20 IBGD CN1CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1792605741 PQOAWVVPGDLDOE-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792867535 DPYDFFYTIXBXGA-ZIEJDFEHSA-N 439.115 -0.399 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800760111 ZYIIWSCYCFPCFC-NPJQDHAYSA-N 431.375 -0.005 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CN3CCOCC3)C2)CC1 1809549330 YHWGTVFHSBZDGH-UHFFFAOYSA-N 444.536 -0.138 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1830358586 PMNWUCYJWFWSJY-XIKOKIGWSA-N 430.889 -0.694 50 20 IBGD NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccccc1 1830722899 IRIANUHVSOKIPP-ZWOKBUDYSA-N 425.913 -0.215 50 20 IBGD COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830725887 MQULYOSMCUSAOQ-HNAYVOBHSA-N 427.885 -0.311 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C1CCOCC1 1834544338 WUDFJOGUJWUPRF-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD O=C(Cn1cccn1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834881526 CLMRBPQMBQSCDJ-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c[nH]1 1835937356 SBBUQMJPWFEMPM-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)N1 1836715423 SNTLFALHTARSTF-KGLIPLIRSA-N 430.889 -0.817 50 20 IBGD C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839887564 IRQQBRKRPGKABW-IBGZPJMESA-N 438.236 -0.352 50 20 IBGD CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840309713 FWJZCESDNQWDCU-BTZGUFSASA-N 433.465 -0.695 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1OC 730657731 PBXMLGHBIQMXRM-UHFFFAOYSA-N 430.377 -0.907 50 20 IBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC2)cc1 744446712 KWMFUXFAJYSJHL-UHFFFAOYSA-N 426.495 -0.232 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(C)c2)C1 758038791 GPHSVIZFPDADFR-RYUDHWBXSA-N 449.555 -0.856 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 763821605 VCNZOLHGDUUMQB-AWEZNQCLSA-N 439.428 -0.217 50 20 IBGD C[C@H](O)c1cn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)nn1 766670305 WUYJNRWNCXWXLB-AWEZNQCLSA-N 435.916 -0.050 50 20 IBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897730 LLOWFIQXRDRATG-UHFFFAOYSA-N 439.881 -0.133 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC[C@H]2NC(=O)OC(C)(C)C)n(C)c1=O 773206322 FNWBGDAPZOTKID-LLVKDONJSA-N 433.469 -0.017 50 20 IBGD CCC(CC)n1nc(C)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 775780774 PXBBMZXGIIDXSC-UHFFFAOYSA-N 430.469 -0.239 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)cc1 780873693 UUWZOFAXKIGUFX-UHFFFAOYSA-N 437.482 -0.901 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1=O 917371424 OUSMMZUYUKNGET-UHFFFAOYSA-N 435.784 -0.544 50 20 IBGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 918481166 FHLIXEGPRMZZDL-GFCCVEGCSA-N 433.508 -0.202 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961688 WTQJZBGERFXJMN-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[n+]([O-])cc1)C2 1782212057 FLHLTYHAQSIQJV-DYESRHJHSA-N 433.509 -0.180 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1783933880 KPMWYIXREMWTBQ-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD Cc1cnn([C@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1791593290 RWQCCTFBPMDTSI-LQJIQPLVSA-N 440.309 -0.274 50 20 IBGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)cnn2c1 1797418769 PJNANEQMRLPWNY-HGKCTWBKSA-N 449.276 -0.765 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801066030 OCVFVVKTRGAXLR-OVSYPERQSA-N 444.492 -0.764 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801658146 JZFGSSXLGCGGPU-HGKCTWBKSA-N 431.493 -0.638 50 20 IBGD C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833464801 UVNPSUHWUFZJOI-QGZVFWFLSA-N 441.337 -0.410 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834798297 DSXONFVOIARCNB-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835919977 NMRNSWJAOZBPNE-INIZCTEOSA-N 439.900 -0.040 50 20 IBGD Cc1ccoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928173 HBHNCUJLDIVEAT-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837118450 YEIQPQHWPPJWFH-LSDHHAIUSA-N 444.916 -0.163 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837497697 KJTRUNHZMPVOLO-ZQIUZPCESA-N 438.836 -0.528 50 20 IBGD O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)c2N1 1839572463 YGTMQGSWTGZREF-QRWLVFNGSA-N 437.880 -0.149 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1840151321 YJDGRBXXPXXINY-QFBILLFUSA-N 428.917 -0.019 50 20 IBGD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840566316 HDKZBKHXZJFUCT-OAQYLSRUSA-N 448.524 -0.905 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843441883 GPUCRKXPEWHCPF-UHFFFAOYSA-N 446.272 -0.024 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)n(C)c1=O 728209438 BBZHZCQUKSVBHC-UHFFFAOYSA-N 447.477 -0.982 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2)cc1 731667005 MKYIWNCGZFAYAF-CABCVRRESA-N 443.547 -0.022 50 20 IBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 733660943 YXVUZFCCGCLLOB-CYBMUJFWSA-N 448.571 -0.533 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 755937780 MQSFJKYVKMNNCS-LBPRGKRZSA-N 447.477 -0.365 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)cn(C)c2=O)cc1 763731766 BTHWPOIEGXVNOV-UHFFFAOYSA-N 449.489 -0.591 50 20 IBGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764226246 HBDLTEDUHUCUAQ-SNVBAGLBSA-N 444.466 -0.716 50 20 IBGD COc1cc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1OC 764431911 GAKDJTMDQCZRGZ-LBPRGKRZSA-N 432.227 -0.032 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1C(=O)c2ccccc2C1=O 765738693 MXXAFHYPJOPZAF-UHFFFAOYSA-N 449.467 -0.112 50 20 IBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1OC 790045806 SJMBRKGLWVJWGQ-QMMMGPOBSA-N 440.883 -0.121 50 20 IBGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 810276013 ZGQXEOUVRSSNGZ-UHFFFAOYSA-N 433.284 -0.503 50 20 IBGD CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)N1CCOCC1 1318161026 VAWAJKHLRIGOPU-AWEZNQCLSA-N 446.913 -0.054 50 20 IBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1CCS(=O)(=O)C1 1337075779 DPBKIDXJRAPORI-ZDUSSCGKSA-N 434.540 -0.848 50 20 IBGD Cc1nc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779823872 ONSLQNBIEDEEEH-NRFANRHFSA-N 427.241 -0.034 50 20 IBGD Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780101676 KFPXFPHDTWJYAG-NRFANRHFSA-N 440.460 -0.859 50 20 IBGD CN1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)C1 1786981634 AIMYDAVBELVUAS-ZULIPRJHSA-N 429.326 -0.699 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2nccn2c1 1788052506 VFRZVVSRBWNWKE-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD O=C(Cc1ccccc1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790900647 OIBXJOIVEHDFDK-CUWPLCDZSA-N 438.289 -0.092 50 20 IBGD CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791306982 YYJYBLXBKYCQIF-DKIMLUQUSA-N 436.339 -0.926 50 20 IBGD Cc1cccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1792469294 HWKNBDDGMCUPAH-NEGDOWEVSA-N 435.289 -0.014 50 20 IBGD C[C@@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737145 XFADPNCHIKJBOS-JWVYWZTKSA-N 437.305 -0.157 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740492 BEOYSPJCHNFTCF-IKVITTDRSA-N 425.088 -0.647 50 20 IBGD O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797836984 FNRLYASFZPKDPY-WSOVOLMPSA-N 425.250 -0.718 50 20 IBGD CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800530412 DMYYMNFXLIHKQQ-UYMACXJTSA-N 432.481 -0.765 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813075003 WRJKLZZTIWOOIB-LAUBAEHRSA-N 432.525 -0.013 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2)c1ccc(B(O)O)cc1 1815343959 YWPCLZDGUXMSAJ-LBPRGKRZSA-N 439.262 -0.554 50 20 IBGD CC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821944433 URCPRRVCDQDIQO-HNNXBMFYSA-N 428.453 -0.150 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736724 WHQVTNNYSNPPTP-KDOFPFPSSA-N 428.873 -0.665 50 20 IBGD CC(C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833349374 KQVSRJIWNPAURZ-HXUWFJFHSA-N 425.574 -0.052 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1837456692 PKHWZSQBLOQNOC-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199278 LPTHGNHHYHJFME-WCQYABFASA-N 431.280 -0.822 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839225137 YOPIFIFGFNEYBV-IERDGZPVSA-N 447.297 -0.763 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840183379 ZWFIQWSTVQFNNY-UYAOXDASSA-N 438.481 -0.858 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840535084 CPCVPCDUVVNLEN-AHBLATNWSA-N 447.492 -0.387 50 20 IBGD COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276317 CBYNJRHOFRZFPV-DGCLKSJQSA-N 446.551 -0.368 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729304644 WJDLNTVADQNVAQ-UHFFFAOYSA-N 435.300 -0.015 50 20 IBGD COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 730767285 LOYTZRRKHHEGLI-ZCFIWIBFSA-N 448.292 -0.156 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 740853236 ZFHKWXBNWKBXIZ-HXUWFJFHSA-N 433.465 -0.086 50 20 IBGD COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 745992565 DIQONZZNUMFFPT-UHFFFAOYSA-N 428.467 -0.597 50 20 IBGD COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 749551827 QCIZHPVACKZJIN-RRCSTGOVSA-N 434.405 -0.219 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CCN1 763468671 QSGYWZFBFNTUPK-UHFFFAOYSA-N 426.389 -0.069 50 20 IBGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 765396684 SXAUQAFMGCWENG-UHFFFAOYSA-N 442.498 -0.342 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCc2n[nH]cc2C1 767108107 NRVFSTMAHYFANW-OAHLLOKOSA-N 448.505 -0.068 50 20 IBGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)n[nH]2)cc1OC 768278624 INJWCSSAFNFSTF-UHFFFAOYSA-N 438.404 -0.060 50 20 IBGD CN(CCNC(=O)NNC(=O)C(=O)Nc1ccccn1)S(=O)(=O)c1cccs1 772627008 FXHITYPHRAUNFT-UHFFFAOYSA-N 426.480 -0.267 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc1C 778430680 YCAPXABVSIELJL-VXGBXAGGSA-N 425.467 -0.560 50 20 IBGD O=C(NNS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F)N[C@@H]1CCS(=O)(=O)C1 779834671 WVODKTPKHKAAJW-RXMQYKEDSA-N 447.825 -0.004 50 20 IBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1Cl 788491077 JILOUZKWQAPXFW-LURJTMIESA-N 433.917 -0.256 50 20 IBGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793451562 UTGRIYGYIYJFJY-NSHDSACASA-N 437.434 -0.577 50 20 IBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(S(=O)(=O)NN(C)C(=O)NCC)cc1 810065424 UIWYFOGYKCLYGH-UHFFFAOYSA-N 436.516 -0.604 50 20 IBGD O=C1N[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CS[C@H]1Cc1ccccc1F 913181229 KJYMSJVWNOGHDB-UBHSHLNASA-N 429.495 -0.450 50 20 IBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2S1(=O)=O 917625013 LUFCEBMCSLWZLB-NSHDSACASA-N 429.476 -0.565 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104843 FTZDQDAYLULOJQ-ZXRHXNHJSA-N 439.513 -0.282 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781367853 PTJCRZBORBDRRI-LYHHZTDNSA-N 444.492 -0.429 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782641918 QKZHIEDEQNNBEC-HXUWFJFHSA-N 434.497 -0.682 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783757281 ZMSGOMGHLWMWBC-OAQYLSRUSA-N 444.492 -0.859 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1783937071 OLHJOBZWCRSRJG-OAQYLSRUSA-N 432.525 -0.275 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092801 VYQVUDOQNPOYKT-MJDBTJCESA-N 435.905 -0.591 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980888 CPOCNFNNEGNMCW-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986643 SYEVUEQZXGWTRO-VMXMFDLUSA-N 443.353 -0.168 50 20 IBGD O=C(Cc1cccnc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793952212 PCWMAFBPPKFVKP-HGKCTWBKSA-N 443.696 -0.139 50 20 IBGD Cc1cccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c12 1795741433 XLZIHJAFHVCBCH-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801011581 OYMHVEHLLZTMBF-KBYGAHRFSA-N 439.513 -0.522 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475786 UNBRFIBCJYQWMO-INIZCTEOSA-N 442.285 -0.333 50 20 IBGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826800486 CRSDLHCCMUKQGG-UONOGXRCSA-N 425.850 -0.069 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(=O)[nH]c1C 1830725203 LWZADFYVQQKHGI-SCLBCKFNSA-N 428.873 -0.944 50 20 IBGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CCC1=O 1832371085 YSGQXJSIGYUUOP-QGZVFWFLSA-N 445.314 -0.164 50 20 IBGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833520465 HDEBXTPBHZLYOH-HNNXBMFYSA-N 444.341 -0.937 50 20 IBGD COC[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833525911 YTRXSRSDPQQAEL-MRXNPFEDSA-N 431.342 -0.166 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1)c1ccc(B(O)O)cc1 1834800544 KLBHQUQKCDVJDV-AERCQKQUSA-N 441.337 -0.556 50 20 IBGD CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734335 BCFBTBWMDBFMMR-UHFFFAOYSA-N 445.524 -0.994 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840031542 TYOURAKSDNDEAU-BZNIZROVSA-N 431.287 -0.021 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551274 SVFVNRBTIPRDSF-XJKSGUPXSA-N 426.919 -0.869 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728380018 MJJXOWANKITRQQ-TZMCWYRMSA-N 449.576 -0.331 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(OCC(=O)N(C)C)cc1 730569356 WOOCDDSIXZGXCH-UHFFFAOYSA-N 448.505 -0.422 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 751206451 GQUGUBARJFZFGY-GFCCVEGCSA-N 428.401 -0.019 50 20 IBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 751281174 BUPAIGQZGISJSW-UHFFFAOYSA-N 432.505 -0.604 50 20 IBGD C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)c1cccc(F)c1 765729673 XKWPROLOPQSBAF-LLVKDONJSA-N 444.423 -0.371 50 20 IBGD C[C@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766645703 VKTCEPVBLJBFQZ-LBPRGKRZSA-N 447.496 -0.944 50 20 IBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 767191828 IZOWGDUKHHCETJ-UHFFFAOYSA-N 440.503 -0.032 50 20 IBGD Cn1cnn(CCC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1=O 815827775 NZOTYMSZXRVYGU-UHFFFAOYSA-N 435.916 -0.410 50 20 IBGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914719747 PNPADYQUQWCUDR-BLVKFPJESA-N 434.474 -0.433 50 20 IBGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 916640395 YYBPUYGIBHPNKO-SFHVURJKSA-N 447.558 -0.115 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778671018 ZPFAWOOQRCQXJK-NRFANRHFSA-N 439.476 -0.415 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779730757 VEDDXKIWDYHEAH-HXUWFJFHSA-N 431.204 -0.203 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1783876871 XXBQMQHATJGIMT-TYILLQQXSA-N 449.932 -0.044 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1784444253 JLEZSECUDQYBEE-QTVXIADOSA-N 439.962 -0.452 50 20 IBGD Cc1ccn(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981069 ONKWUFFCSWNPPM-WDSOQIARSA-N 425.294 -0.080 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789877384 BCZQFAHSGLOKTG-RWWPBDOISA-N 432.481 -0.765 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795732919 SIWUIVRWRKCLLP-ZQOJQMTGSA-N 444.293 -0.841 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752844 ISEBFZCZDLNQHS-ZJOBFFGXSA-N 432.481 -0.311 50 20 IBGD C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094629 ALVXYDRMRVVMRC-BOLBYERCSA-N 446.552 -0.483 50 20 IBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)c(=O)nc1O 1801972237 PFESUEKLMJNQMU-FMSGJZPZSA-N 443.298 -0.370 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802337715 QFXNYFKCAFUHSM-BTTYYORXSA-N 431.497 -0.690 50 20 IBGD O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1806810489 PGDOYUNNABZAOH-HQRMLTQVSA-N 436.277 -0.640 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1813070540 IPWWNIKOEZPZOT-BEFAXECRSA-N 439.538 -0.495 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1830732862 BXGQDIVTHPDHBT-RISCZKNCSA-N 425.707 -0.030 50 20 IBGD Cn1cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833908668 PRBZRXCPCUMIHE-NRFANRHFSA-N 442.476 -0.593 50 20 IBGD CNCCCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834711271 FUAWBQVNTINEIL-UHFFFAOYSA-N 430.358 -0.449 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc(O)n[nH]1 1834769415 GEJHSARFZASCFE-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835934419 RYGNSYBNFAQHAM-NRFANRHFSA-N 427.266 -0.870 50 20 IBGD O=C(Cc1cscn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836040626 XDLGMMBIBKQCNF-HXUWFJFHSA-N 445.306 -0.864 50 20 IBGD COc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840185019 FAMRDTJMVGNNOB-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)c1cccs1 725740560 FNCVTGSEYOLSKX-UHFFFAOYSA-N 435.487 -0.246 50 20 IBGD CC(C)CN1C[C@@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1=O 735117009 KUCQHXFPUCYXOO-HNNXBMFYSA-N 438.554 -0.035 50 20 IBGD COCCN1C[C@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1=O 744622282 ZIIHOSOWGUHLRE-CQSZACIVSA-N 426.495 -0.355 50 20 IBGD CN(C)CCN1C[C@@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1=O 746331869 KWFDVXUYFRTARY-HNNXBMFYSA-N 439.538 -0.439 50 20 IBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 751303802 WZRWKOVLPSXPEZ-ZDUSSCGKSA-N 425.463 -0.644 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(F)cc2OCC#N)n(C)c1=O 757683490 ZMZXQZANNLNPNZ-UHFFFAOYSA-N 444.383 -0.672 50 20 IBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCCS(=O)(=O)C1 758660299 CQSVORMYCAJVTD-AWEZNQCLSA-N 444.535 -0.008 50 20 IBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)O1 760203311 KMZPXGXNZAAIRU-HIFRSBDPSA-N 439.494 -0.552 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 763660853 IGSWWAYTGZWIHT-UHFFFAOYSA-N 430.421 -0.665 50 20 IBGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1 763931541 JGUKYKOIQKHADK-UHFFFAOYSA-N 449.899 -0.457 50 20 IBGD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764230794 LFWQHRLSQVIJGZ-LLVKDONJSA-N 427.483 -0.387 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Br)ccc1F 764232959 UEAYINQJHNNQBA-ZCFIWIBFSA-N 425.236 -0.388 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 764400339 PJFINFOEQGXWOU-SNVBAGLBSA-N 426.382 -0.107 50 20 IBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 767187894 ZQPRNRVXNDJNHG-UHFFFAOYSA-N 447.535 -0.318 50 20 IBGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 776903174 XPJACSTXUXSKNT-UHFFFAOYSA-N 429.499 -0.210 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 783999343 MHLGYUYSZVUKBB-UHFFFAOYSA-N 433.534 -0.014 50 20 IBGD Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784003712 MNERPIUFAAZHMP-UHFFFAOYSA-N 438.487 -0.024 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)N1CCOCC1 786117333 XHPYMCINGBIQGF-GFCCVEGCSA-N 427.483 -0.442 50 20 IBGD O=C(COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1ccccc1 786995842 HOOCVUJUXSGHJX-QGZVFWFLSA-N 432.477 -0.296 50 20 IBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2[N+](=O)[O-])CC1 789857935 NCGCVUVZGCVAPK-UHFFFAOYSA-N 432.437 -0.353 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@]3(F)CCOC3)CC2)cc1 1347485008 NXHLJBDCSSLXFQ-GOSISDBHSA-N 428.486 -0.423 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779177954 WDDOCPDFVKINTG-YEWDVWPNSA-N 425.873 -0.976 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4N3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982845 BEZOPHBTAMOONT-UDDWMFPDSA-N 449.316 -0.004 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)on1 1786983724 XDKLUFVNTSTBPU-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269909 XSWHPVOOVVFBIA-OBJOEFQTSA-N 449.544 -0.743 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787506884 SOWIVKWMSHSZGO-PMECOZHMSA-N 439.900 -0.300 50 20 IBGD O=C(Cc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795249294 WOPVLWVZBVJLAR-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797234065 LCCFYRONLLKYRD-PNBKFKSVSA-N 431.375 -0.146 50 20 IBGD Cc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751905 YGGSQPNUMKVHGE-FVCICTRLSA-N 425.449 -0.699 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)c1cc(=O)n2[nH]nnc2n1 1800158919 GTFIXJAKMAVOMX-PJFCORBGSA-N 428.222 -0.245 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1800976711 DKNHONGVPCKIJI-DGADGQDISA-N 434.873 -0.675 50 20 IBGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011501 QNLZAWVVRSZOOW-CCWDJLKJSA-N 436.513 -0.894 50 20 IBGD COCCOCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814303930 AOPZLWMVSADMTC-AWEZNQCLSA-N 433.295 -0.288 50 20 IBGD CC(C)CNC(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354859 VPUQSXKSZJYJQN-AWEZNQCLSA-N 444.322 -0.179 50 20 IBGD O=C(c1cccn2c(O)nnc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727964 LMTQSNDMRPOZRM-SCLBCKFNSA-N 439.856 -0.895 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832198470 HQFFKISMKCUVHQ-APWZRJJASA-N 437.884 -0.513 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833752153 BGLAOHSXCRAXTF-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccns3)CCO2)C1 1833775368 QYIXUEUTJMJGNZ-IBGZPJMESA-N 446.489 -0.475 50 20 IBGD Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1834281706 OKORJMXEZVWIAS-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834417746 RDJDUJWPXQONNA-FQEVSTJZSA-N 436.513 -0.654 50 20 IBGD CC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834439493 NPZACLISZOGYML-UHFFFAOYSA-N 429.326 -0.079 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797758 CGTYWSYUWIUMJX-HRAATJIYSA-N 445.369 -0.041 50 20 IBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc1 1840184554 UYPQWTDZKFRYMA-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 728202936 DNWJPOYMRYSONJ-KBPBESRZSA-N 445.519 -0.660 50 20 IBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748239932 NCLTWVCWHRNMES-BSDKJSHOSA-N 427.461 -0.441 50 20 IBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763872514 NUULUHZFICVAMP-LLVKDONJSA-N 432.412 -0.146 50 20 IBGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764230366 HJVJWWVDWKATTK-MNOVXSKESA-N 428.467 -0.938 50 20 IBGD CC[C@@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)N(C)C 766637168 ZJJNDLGJJZPGMQ-KRWDZBQOSA-N 425.555 -0.211 50 20 IBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1ccc(-n2cnnn2)cc1 769597851 STLMCDKYZKGAKW-UHFFFAOYSA-N 426.418 -0.838 50 20 IBGD O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779016929 VHYBQQDZXNOUJX-VSIOZEBNSA-N 428.298 -0.718 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779250192 CFDJYCUNVAMDLZ-VFNWGFHPSA-N 431.298 -0.885 50 20 IBGD C[C@H](CN)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970103 RSVQUZMINVUONB-VGOFRKELSA-N 446.552 -0.243 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782705302 SVDXJOOCASVLPJ-VBKZILBWSA-N 434.254 -0.629 50 20 IBGD NC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1784926426 ACKNANGTSZOECL-JOCHJYFZSA-N 437.261 -0.777 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(=O)c1ccco1 1785136309 VSKYSQDRLSNNCI-ZVZYQTTQSA-N 426.234 -0.564 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1791055713 GJFJADJKQYVUKC-BLDNINTCSA-N 434.331 -0.600 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2C1 1791403934 DHNCYQXJRMSFKN-IQLMPHEPSA-N 430.310 -0.489 50 20 IBGD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1793907452 CTDHYFVJKYXPPA-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc3ccccc13)C2)c1ccc(B(O)O)cc1 1795734707 MEQRLDUSPXBKQL-MFKICJERSA-N 449.272 -0.047 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1C)C2 1796441003 JMDFZIDHBNCLKX-NDMOTNCASA-N 427.465 -0.243 50 20 IBGD COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750512 DDBIHAVPIVDGGG-DPIQGUFMSA-N 444.448 -0.664 50 20 IBGD Cc1cc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1797832965 BDOGDHGSXPTFRK-XCRGKXPMSA-N 440.460 -0.102 50 20 IBGD Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C3)CCC2 1800046532 KRIOPQKQGLTVII-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773828 UOJLYEJKULBTKP-ZWUHOBOKSA-N 443.884 -0.204 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1801010542 FKTFNUKUZQLKQL-POXQLVPFSA-N 446.504 -0.211 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013088 VFROWBMOCWLLKR-VWPFQQQWSA-N 428.486 -0.489 50 20 IBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)c(=O)nc1O 1801972457 HMDRPACDDAATEZ-JJLQDPRZSA-N 443.298 -0.368 50 20 IBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)no1 1802337146 HOSNWJZUPOBDJC-QDMKHBRRSA-N 434.497 -0.276 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1813070190 DTIFXZUVRITQAY-GUXCAODWSA-N 447.540 -0.947 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(CO)on1)CC2)c1cccc(B(O)O)c1 1815360611 KDSZXQVPIUPIOO-LBPRGKRZSA-N 442.262 -0.157 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)N1 1817087327 VRSSRBXUZMRTMJ-GDBMZVCRSA-N 425.254 -0.326 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826819366 SYSVYSFLYJJKLM-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728601 VVHPADUPFXPTCK-KXBFYZLASA-N 426.901 -0.042 50 20 IBGD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)cc1O 1833403998 KDJLWPYACVIVHT-INIZCTEOSA-N 431.287 -0.019 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837274260 CGQUHGAVBXRBDT-GOSISDBHSA-N 440.577 -0.373 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455690 DUSMZNXZDYHTID-OAQYLSRUSA-N 447.492 -0.630 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1837460383 FDKSLYCHYFCDAW-JXFKEZNVSA-N 449.533 -0.349 50 20 IBGD N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838950014 JDNAHLIFGQSOEK-HSZRJFAPSA-N 449.272 -0.378 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840184160 AMRLVBLWDNIRNA-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844183127 LDPVBWPAFJBIDN-FSJBWODESA-N 427.469 -0.343 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(S(=O)(=O)NC3CC3)cc1)c(=O)n2C 726867546 MZQSUUYPWROXKI-UHFFFAOYSA-N 447.477 -0.982 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCSc2nnnn2C)CC1 735117528 VWDRZLQRHPMMOL-UHFFFAOYSA-N 441.543 -0.833 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1OC 750663974 SSFMZGDPCOGXTH-UHFFFAOYSA-N 425.467 -0.125 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)n[nH]1 763153256 KTJSGSZGPSXXSJ-INIZCTEOSA-N 428.449 -0.027 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 763662860 LBRDRIZJTTZTLE-UHFFFAOYSA-N 441.404 -0.156 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764285904 OOMHVZALCBDFRH-UHFFFAOYSA-N 434.478 -0.087 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(N2CCOCC2)c1 764813226 VOSPAQKOPWGSQD-UHFFFAOYSA-N 439.476 -0.189 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cc(F)ccc2Cl)n(C)c1=O 765123321 IYEOHNKDRMCGMX-UHFFFAOYSA-N 444.832 -0.764 50 20 IBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C 765178565 YHXUFXDYIPOCMU-UHFFFAOYSA-N 426.477 -0.384 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccnc(N(C)C)n3)nc2)CC1 776068026 FTLZPZNQXRNJEX-UHFFFAOYSA-N 449.541 -0.300 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799259435 XAAHRFSDPDWKFU-UHFFFAOYSA-N 429.275 -0.672 50 20 IBGD CC(C)(C)C[C@H](CC(=O)NNC(=O)N1CCOCC1)C(=O)NNC(=O)N1CCOCC1 813428101 RLGYOJIJLGYBGY-AWEZNQCLSA-N 442.517 -0.425 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccccc2)[nH]n1 914462791 XDLSYHQPJYQIHZ-UONOGXRCSA-N 431.474 -0.127 50 20 IBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 1116018036 UPBNHULEJMWULZ-UHFFFAOYSA-N 426.495 -0.089 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784596736 VLWHIMAFGVJSSO-XVWPZIMESA-N 443.468 -0.802 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1785036756 RADCOLPEDOZLMZ-AVGNSLFASA-N 442.365 -0.500 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc(O)n1 1786043330 LSBCOMQLJKWJAA-ZVZYQTTQSA-N 425.250 -0.626 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21)c1cccc(B(O)O)c1 1786983978 IRAWODXBWRJGOF-SNRMKQJTSA-N 449.276 -0.684 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788775906 WDVIYOWXTSILRP-PDWCTOEPSA-N 438.294 -0.192 50 20 IBGD CC(C)c1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)co1 1794282549 SYRLTFYBIVEADA-JLVBRIDZSA-N 427.266 -0.005 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2 1796440962 HCDQKFMPDYAIQX-HXQQXZKVSA-N 425.449 -0.186 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)CC)C2 1797588645 UCOPIQWYMHSLDT-OJROKELRSA-N 436.303 -0.186 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1797748380 UMJRKHPQWRHTCT-CULMDFNYSA-N 444.404 -0.297 50 20 IBGD COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095127 UUSGDTBNUIQGES-RMFSNUHRSA-N 447.536 -0.041 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014560 ZGKBSVNNBKWWAD-XOIINTDNSA-N 426.514 -0.462 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1813070500 IBWVVPMSIOCENE-DNVCBOLYSA-N 429.485 -0.853 50 20 IBGD Cc1nnc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)o1 1815339422 FHSHHWXPKFUTGA-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340317 JCUPKGGSSOTUBQ-ABAIWWIYSA-N 444.322 -0.085 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049113 LXVJJJHTQMLGRO-IBGZPJMESA-N 444.341 -0.129 50 20 IBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1831955608 MSIATIANMMBPQM-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccno1 1834182814 KRLQSMYDTSVZFV-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834821677 TWGNAKAKPLVQKW-LRDDRELGSA-N 435.319 -0.325 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718441 OLQQWKGPELIWOJ-CQSZACIVSA-N 439.900 -0.213 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197501 YZUGMQQGVINMQL-OEQZANGBSA-N 448.289 -0.008 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc1O 1839197897 LGYSKPVWKFPSNA-IUODEOHRSA-N 435.250 -0.114 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840030732 UZZRMKHKIPTZHL-WBMJQRKESA-N 435.319 -0.503 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843010414 NDWSHRJUPYFBPY-UHFFFAOYSA-N 442.302 -0.099 50 20 IBGD COCCCNC(=S)N(C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 726076950 JJLBUGGMOYMNCB-UHFFFAOYSA-N 445.567 -0.459 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 732264611 VTCXSZIDPRRPLS-CHWSQXEVSA-N 435.437 -0.033 50 20 IBGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 735844695 JSJJSXLUUJPRBI-UHFFFAOYSA-N 432.978 -0.011 50 20 IBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748239934 NCLTWVCWHRNMES-OJXHRBAXSA-N 427.461 -0.441 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 763625595 VBXLNOUQRXZDMQ-UHFFFAOYSA-N 444.448 -0.785 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 764434916 SNAZBNMXTQNOSD-OAHLLOKOSA-N 436.490 -0.694 50 20 IBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)O 790383778 LCWUHYNNOLSQKG-ZETCQYMHSA-N 426.856 -0.209 50 20 IBGD COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1C 790783981 JCGYVYBKACAKPA-UHFFFAOYSA-N 445.392 -0.880 50 20 IBGD CNS(=O)(=O)C1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 793226746 NASPHZSVPYDDHI-UHFFFAOYSA-N 427.483 -0.333 50 20 IBGD CCS(=O)(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)[C@H](C)C1 805067727 BAIRNLOPMSSSSB-CQSZACIVSA-N 439.542 -0.210 50 20 IBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1CCc2nncn2C1 816871926 WXOMSELNHOIRFN-LBPRGKRZSA-N 431.478 -0.493 50 20 IBGD CN(C)CCNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916112685 CMRWLBFYMBKAEC-UHFFFAOYSA-N 443.595 -0.303 50 20 IBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)O1 1320617915 LDABDPIMZGYCRZ-WCQYABFASA-N 426.499 -0.441 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330851 HUGWQGIXMPURLM-IAQYHMDHSA-N 443.233 -0.448 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785625174 AYGYSEDXSUBLEG-SGTLLEGYSA-N 447.920 -0.383 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cccnc1 1794151568 HOOXYRWVHBEYTK-MEXLWANDSA-N 436.472 -0.003 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799186701 QESJZSGNZBVGSO-GVRJEKJASA-N 431.375 -0.005 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830533057 DNCXYHQTICPJPB-DYVFJYSZSA-N 448.314 -0.074 50 20 IBGD O=C(CC(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929298 KBACTHFLFQKXID-QGZVFWFLSA-N 430.188 -0.611 50 20 IBGD CC(C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456498 NIYLHIKWRIANNG-OAQYLSRUSA-N 449.508 -0.430 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840153797 ZPWXAQOVMNWVGE-DYVFJYSZSA-N 436.962 -0.819 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840926845 URTOOXRRZNVKAI-HXUWFJFHSA-N 442.582 -0.041 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1843417067 SDLAGBPQIDYKRC-LPYMAVHISA-N 441.448 -0.102 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 728947134 ZPYHQVDVXZEIBD-UHFFFAOYSA-N 447.521 -0.499 50 20 IBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C(=O)N1c1cnn(C)c1 743510042 PAEIUIDNPFYPID-DGCLKSJQSA-N 448.509 -0.149 50 20 IBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)N3CCOCC3)CC2)c1 745996001 HLZJAJGHYQKONO-UHFFFAOYSA-N 425.511 -0.480 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 758041333 YGLFBJMPDUMLKO-ZETCQYMHSA-N 447.267 -0.870 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 764226285 HKMNIKLPFRZZQJ-CYBMUJFWSA-N 425.511 -0.304 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 764316740 DMZXOIFVTVOODI-UHFFFAOYSA-N 430.483 -0.154 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2(N3CCOCC3)CC2)cc1 765641053 KBIIFIJFWYVNPT-UHFFFAOYSA-N 439.538 -0.189 50 20 IBGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771605891 CZXMHNUFPHQKSA-UHFFFAOYSA-N 446.894 -0.387 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccccc2O)[C@H](C)O)cc1 779512698 AYWMFRPIAWDMJI-SCLBCKFNSA-N 437.474 -0.045 50 20 IBGD O=C(NNC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)N[C@H]1CCS(=O)(=O)C1 780909013 XVIWSQHESUFFSX-KSSFIOAISA-N 440.478 -0.411 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 797368525 CIRSQHXIVUCMRS-UHFFFAOYSA-N 438.404 -0.325 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCn2cc(C(=O)OC)nn2)nc1 807251719 ZFAGVHXCMSRSCL-UHFFFAOYSA-N 440.486 -0.184 50 20 IBGD O=C1CNC(=O)c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2N1 814224434 GFZLMXOCZJRARH-UHFFFAOYSA-N 430.446 -0.264 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1 1322824754 VPXIKEVMPFZCOR-OAHLLOKOSA-N 443.547 -0.022 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n[nH]1 1786984289 ZIMUMCSPENFVBN-SNRMKQJTSA-N 426.282 -0.766 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1791092449 OCRUBDBHIMRNKM-PLBLVSRVSA-N 443.504 -0.154 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nn1C 1791287984 JZLGYBGECSAFJV-SZMVWBNQSA-N 434.541 -0.376 50 20 IBGD CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793881302 ZUWJHEVFCGEBNG-CRWXNKLISA-N 446.932 -0.204 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2)[C@H]1SC(=N)NC1=O 1796878196 QXODKEDEKYWUPH-CQUYNDQOSA-N 438.554 -0.200 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1nc(N)n[nH]1)C2 1798440522 OBRZTWXJMRNCOS-ZSBIGDGJSA-N 427.469 -0.730 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801371297 ZWSVGQSILFYAKH-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)CC1 1805524271 NNNOCTRCWMAYMP-KRWDZBQOSA-N 428.961 -0.019 50 20 IBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1813070516 IKRFJDYOIOHWRT-JXXFODFXSA-N 448.524 -0.477 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CCO2 1830495034 HVAVLNVAHGKEOR-JQVVWYNYSA-N 428.294 -0.518 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1830538635 LRHFNAYWDJETIP-BBRMVZONSA-N 430.303 -0.235 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccnn3)CC2)CC1)c1cccc(B(O)O)c1 1834801194 PZMRVMRZDLZWRC-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(F)(F)F 1835932307 YPBYISBOGYCMBD-SFHVURJKSA-N 442.199 -0.445 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1837201102 GYKLDULPLTWMTP-SUNYJGFJSA-N 435.905 -0.085 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837851332 GBQZNKWXBUMVFI-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920220 ROIXZVZHBNPOJM-OAHLLOKOSA-N 445.325 -0.497 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839349338 POFKCFCRZUCLGM-BEFAXECRSA-N 425.869 -0.545 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840153545 SDWWXEUUQYWFFB-BEFAXECRSA-N 440.884 -0.270 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)c3cnn[nH]3)CC2)cc1 729455578 MGWOJXARPFZFLP-UHFFFAOYSA-N 449.493 -0.813 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 758036820 VXVOZMDPBCFUDZ-YVEFUNNKSA-N 430.458 -0.178 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1cccc(Cl)c1 764231193 NKBBYIIGADKPTG-JTQLQIEISA-N 442.885 -0.142 50 20 IBGD CN(C)N(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCS(=O)(=O)C1 792855871 UYLYSRRJJWOUDC-JSGCOSHPSA-N 444.535 -0.821 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)C1CN(C(=O)OC(C)(C)C)C1 794488540 OZCVMIRJKIHIJW-UHFFFAOYSA-N 426.499 -0.070 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 799912223 SXHABQYFZMAGJX-UHFFFAOYSA-N 427.483 -0.360 50 20 IBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815751734 MLOSJSZQPRRCSD-UHFFFAOYSA-N 438.466 -0.071 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c2ccccc2c1=O 816805606 CFTKOUYZUCMUOW-GFCCVEGCSA-N 436.494 -0.346 50 20 IBGD O=C(NCCCn1cccn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916376804 JEJPONCLDXQSEJ-UHFFFAOYSA-N 436.494 -0.062 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc21 1778381252 SDJFQLSKZZYFKM-KSSFIOAISA-N 425.873 -0.940 50 20 IBGD CCOC(=O)/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210880 VPQVHLODLHBWJJ-VZRXLXHUSA-N 438.525 -0.007 50 20 IBGD CC(C)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(C)C 1786960271 SHYNFEHXSCGIJC-VMXMFDLUSA-N 445.369 -0.018 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493512 YIEAXZCOAZCWJE-RHIYVLOFSA-N 432.930 -0.632 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1788610593 JGSGURJWCMAMPN-NUTKFTJISA-N 425.449 -0.618 50 20 IBGD O=C(COC1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792788322 CEAYGYRYQUCVKV-UPHUGPLXSA-N 430.310 -0.081 50 20 IBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)on1 1793890064 ZVJYKCWBLRCDCP-IVWMJMPLSA-N 428.449 -0.573 50 20 IBGD NC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1795671650 RWGBQBWXVPSYES-YHELAOLJSA-N 437.305 -0.688 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357949 VOCGWDGAUAHDBD-USZNOCQGSA-N 440.298 -0.048 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803138529 KKFNTUMJVDTYLF-CGTJXYLNSA-N 431.685 -0.319 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373433 RWSMCUDMHOWPNQ-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1813070518 IKRFJDYOIOHWRT-QINHECLXSA-N 448.524 -0.477 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826819358 SFAOWWFSQBKEQS-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832679706 AICNLQHGQSBWDJ-OAQYLSRUSA-N 449.508 -0.710 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457011 VRIJKXFVZRFDQC-KKSFZXQISA-N 449.508 -0.838 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1837459493 RWKOOEQJOFRKRF-FQEVSTJZSA-N 428.449 -0.603 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840186027 ZFPSEWHMOFXSQS-HXUWFJFHSA-N 437.497 -0.320 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)C1 1844196842 OIXYHRXPSWLYND-OAQYLSRUSA-N 435.245 -0.082 50 20 IBGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 22084673 OYQKABFDNNJRLH-NSHDSACASA-N 425.195 -0.714 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 728510677 QDKJGOGKMCYILU-ZCFIWIBFSA-N 445.273 -0.396 50 20 IBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 728944623 HSYPTCTZTTTXDS-UHFFFAOYSA-N 434.544 -0.438 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)C(=O)N1CCCC1 741209489 GQXFMLQGGUHQOF-UHFFFAOYSA-N 425.463 -0.219 50 20 IBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 763570188 DAWSHLYLLIEBJP-INIZCTEOSA-N 448.457 -0.123 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(Br)cc1F 764429870 PCOOILYUFSBVLX-NSHDSACASA-N 448.201 -0.124 50 20 IBGD CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765125122 MJNJFUPBKOESCF-LBPRGKRZSA-N 448.505 -0.043 50 20 IBGD COCCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 767850295 JBBYJXMSQUAVRP-UHFFFAOYSA-N 431.334 -0.482 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(C)(=O)=O 784004144 BPEUGTYKCFWTOC-UHFFFAOYSA-N 438.487 -0.024 50 20 IBGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(F)(F)F 805769148 LKQXHXVQRFVMMT-QMMMGPOBSA-N 435.425 -0.336 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1 816817471 CJCMCCLFLBVLNT-LBPRGKRZSA-N 431.453 -0.082 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 892837254 UKSWHPJEESSXLV-UHFFFAOYSA-N 445.461 -0.290 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1777898347 LZFJVACEWYSTEQ-QFIPXVFZSA-N 449.276 -0.525 50 20 IBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778859423 LYIGJEDDYRBPQG-HCROLABASA-N 442.520 -0.531 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1781337600 TVEXTBPIVJLUBE-IQUTYRLHSA-N 449.932 -0.308 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783533139 QZBGTUTVANKOHB-YVEFUNNKSA-N 425.088 -0.407 50 20 IBGD Cc1cc(C)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1785338060 GAUVTXGJBIXQDY-IHPCNDPISA-N 440.309 -0.527 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](O)CC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983520 MRXVLZXACAISHW-LPBINRMYSA-N 430.310 -0.489 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986465 DCTADGQJWJCOPW-XTBFLFJDSA-N 439.115 -0.257 50 20 IBGD Cc1ccncc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794102159 KICJTGNJVDJXSX-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1796446247 QDCOXPRBJWTVHK-QCYBBUPASA-N 442.480 -0.437 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cnc2c1 1797065491 BTCLLBSRWJEAAC-YXPYIKCWSA-N 434.880 -0.194 50 20 IBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccn1 1797751902 YAAPUMOSDAHWEH-ZSBFGKGUSA-N 440.460 -0.394 50 20 IBGD O=C(CC12CCCN1CCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799210695 FHZGQNUEEPGRSV-RMFSNUHRSA-N 441.337 -0.412 50 20 IBGD COc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801010779 VMODEBXGYPQAEE-FAQVEIGNSA-N 447.536 -0.015 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806077993 HFAFSTAFRGUIQM-XKQJLSEDSA-N 446.895 -0.059 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809821059 CNRDSWNYYDUMCC-INIZCTEOSA-N 445.524 -0.877 50 20 IBGD NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828550801 BKCYMHOAUKYOON-OXJNMPFZSA-N 438.912 -0.003 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1835936845 GLFKXTCVRPAQBH-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459308 CFDIITKTPNYCCD-BEFAXECRSA-N 439.900 -0.228 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837709068 UNOWIJIFYXRZMQ-SFHVURJKSA-N 429.546 -0.254 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840183596 OBISKQHIBDGBGB-KRWDZBQOSA-N 449.346 -0.399 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 26071066 PMDXLGQVYQNFFK-UHFFFAOYSA-N 445.461 -0.338 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 728510277 VWGFZXXGLIWLHA-MRVPVSSYSA-N 446.429 -0.774 50 20 IBGD CS(=O)(=O)N1CCN(CC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)CC1 748826793 DXZDDHRILDKLQI-UHFFFAOYSA-N 431.465 -0.123 50 20 IBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 753056977 JNLXFJBBLMMQFW-CQSZACIVSA-N 425.515 -0.553 50 20 IBGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 756704509 GOSHEZUIAOEMKX-NSHDSACASA-N 441.491 -0.137 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 757709907 FIVBKWPHWXVARC-WDEREUQCSA-N 435.528 -0.146 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)CN(C)C 764213543 ZJSIUSDOWQHSLG-UHFFFAOYSA-N 425.511 -0.685 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 764234640 ZABHEAIALSAOQO-SSDOTTSWSA-N 427.361 -0.954 50 20 IBGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CCC3)c2)CC1 764339274 PABBGAPPCUWFQR-UHFFFAOYSA-N 437.522 -0.101 50 20 IBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 767403531 OHRAHNNROKFZIE-AWEZNQCLSA-N 438.506 -0.273 50 20 IBGD CC[C@H](C)[C@@H](NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F 772538441 SIVOIPHLOLWFIE-GZMMTYOYSA-N 433.391 -0.259 50 20 IBGD CNC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 781933906 QJQVHOSMSRWTDH-UHFFFAOYSA-N 429.437 -0.985 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)nc1 792399384 AXCGBACNRPLJBK-UHFFFAOYSA-N 434.482 -0.151 50 20 IBGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 805043902 XFJZRVBPHZDDMH-SECBINFHSA-N 429.377 -0.838 50 20 IBGD CCOC(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916523679 OOUFDBCFIRSSHS-UHFFFAOYSA-N 442.494 -0.005 50 20 IBGD O=C(NNC(=O)C1CC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 916550072 KWSMPKSHXZNJCU-UHFFFAOYSA-N 438.506 -0.285 50 20 IBGD O=C(NNC(=S)NC1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1338429025 ISGQMNJZFVQIRB-UHFFFAOYSA-N 428.536 -0.005 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1781226921 CVBIZKKOJGAZHC-UONOGXRCSA-N 432.241 -0.223 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H](F)Br)C4)C3)cc21 1781328693 WJSQQPXWZJFAMG-MLGOLLRUSA-N 444.261 -0.240 50 20 IBGD CN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1783596411 FJGRRQQLPPDHRJ-IHPCNDPISA-N 429.326 -0.699 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1792870581 GPHJCYBVTHREQU-JHZZJYKESA-N 434.331 -0.742 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3nccc13)C2)c1ccc(B(O)O)cc1 1795736294 WUVGQHGNNBGMPE-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD C[C@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740562 BIAOCPDTECRTNN-LAVAIGHBSA-N 437.305 -0.157 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1796440463 MWRRANBHVYFSEX-WVTGSVNBSA-N 429.437 -0.548 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c(c1)OCO2 1796784637 WWDNVDZVYPIJHZ-CWPLJXCYSA-N 438.245 -0.388 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2 1797754056 KHKJXJOTXMCNQT-IVWMJMPLSA-N 427.465 -0.756 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ncsc2[nH]1 1797979434 GROXEYVTMOFPEK-FVCICTRLSA-N 440.290 -0.179 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)[C@@H](F)Br 1799346733 ZAJXICGXTQEGGA-IWXIMVSXSA-N 443.233 -0.689 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800970581 GUVBGRYIWVOSOT-HPCHECBXSA-N 425.935 -0.842 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805037346 RTOACVFKKDBZIF-UHFFFAOYSA-N 445.524 -0.199 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363732 COJDSYQQUNNZMJ-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793703 RLSQVBSVLWJUSA-VHSXEESVSA-N 445.505 -0.121 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1831416354 QVEWGWZHUMYXSG-IEBWSBKVSA-N 427.310 -0.264 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563870 NNYUWUSERGIRGE-MKBNYLNASA-N 434.287 -0.418 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835301744 GBZYBXLMCQZWAH-XNJGSVPQSA-N 432.315 -0.248 50 20 IBGD CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837812381 AEQRFJXIBXJAAF-UHFFFAOYSA-N 431.298 -0.933 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839434947 IPPIQEDOMJURAD-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840818375 YQEWBTLYJPXZLA-OXQOHEQNSA-N 437.880 -0.007 50 20 IBGD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840896290 QMBDTQASZUDOGM-IUODEOHRSA-N 439.918 -0.163 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1OC 728575509 AFJYKDJKQAGCTA-UHFFFAOYSA-N 433.509 -0.295 50 20 IBGD O=C(NNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 733255358 SBZCOYRREKFYEM-SJORKVTESA-N 445.501 -0.060 50 20 IBGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 749353926 CWVMBRCLOOFCGV-BBRMVZONSA-N 439.469 -0.128 50 20 IBGD C=CCOc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756203100 AZWDDIIWAORQSI-UHFFFAOYSA-N 427.421 -0.149 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc(C)c1C 764225985 DJXFKKVGKVBPCG-MRVPVSSYSA-N 434.496 -0.435 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)C(C)(C)c3ccccc3)cnc2n(C)c1=O 764309137 MIPQXXVXWZBYEZ-UHFFFAOYSA-N 438.444 -0.304 50 20 IBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 777906100 RRJAZOIXYXIVML-ZDUSSCGKSA-N 432.524 -0.472 50 20 IBGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C(N)=O)CC2)cc1 778418870 UOUBOJYSZVYVDE-UHFFFAOYSA-N 427.483 -0.650 50 20 IBGD NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 798337308 JXJPCNAGSQXXOQ-UHFFFAOYSA-N 444.304 -0.087 50 20 IBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)C[C@H](C)O1 914789239 VGSMRYZVDYVVDX-KBPBESRZSA-N 445.567 -0.519 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)CN1CCCC1=O 920827152 VIRSZSQLXNINLV-UHFFFAOYSA-N 440.478 -0.714 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1782914527 NCNPINYDNCIXEI-FQEVSTJZSA-N 430.266 -0.847 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783936674 YRCRGFDYXHYYMV-LFQSBUTJSA-N 439.513 -0.282 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1ccc(B(O)O)cc1 1786981753 KCARPNACUJBCGZ-MXAVVETBSA-N 443.078 -0.350 50 20 IBGD Cn1cncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610747 SLSSLWIXJFLBEG-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1790962283 ZBVDWBUKVIIWMG-PEDHHIEDSA-N 433.347 -0.268 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732740 FSRVSIFMMSAWLG-HGKCTWBKSA-N 426.282 -0.766 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc(B(O)O)cc1 1795734751 YXCJPHLNVNVWLN-RMFSNUHRSA-N 440.305 -0.732 50 20 IBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795734770 PAYSNKONVDUHOZ-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)o1 1815487495 JWZCOENXRMYJOC-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823046444 MTXLZLKUOOCUSI-HIFRSBDPSA-N 442.306 -0.331 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1826085417 RWJDLVWBPCQDLQ-CYBMUJFWSA-N 438.554 -0.240 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830200085 LLDUTWQSKXVWRK-UFYCRDLUSA-N 429.326 -0.678 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833222451 LOBLFNQVKINQIL-YDZHTSKRSA-N 434.497 -0.997 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1835927577 UIUOQYCFDSQKPR-IBGZPJMESA-N 449.656 -0.608 50 20 IBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 730089219 VHAGAOMGLYSTLB-UHFFFAOYSA-N 429.480 -0.638 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 731848771 LQIGTMAJKMQFQK-CYBMUJFWSA-N 428.511 -0.044 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cn1 734251850 PPCYHDVKMPMCNH-UHFFFAOYSA-N 444.539 -0.082 50 20 IBGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751282607 OVUGNFYFZBEZSV-UHFFFAOYSA-N 430.464 -0.731 50 20 IBGD CC[C@H](C)n1nc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 757910690 NKTOXTBUCXYAFB-JTQLQIEISA-N 431.457 -0.237 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n1 763892258 DEFNTTUBAIURMN-UHFFFAOYSA-N 443.464 -0.244 50 20 IBGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778444017 ZRALXCTWEJPJPY-LLVKDONJSA-N 425.467 -0.103 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCc4nncn4C3)C2=O)cc1 816881080 YPHDOWYKUFLSRM-FKIZINRSSA-N 441.448 -0.536 50 20 IBGD O=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915832319 RTRWZNKEDFIGNY-SECBINFHSA-N 443.279 -0.259 50 20 IBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)nn1 919926584 YQUHJHMENOZHRB-UHFFFAOYSA-N 425.243 -0.031 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780357482 MMJLQUFWRFGOCB-HXUWFJFHSA-N 435.529 -0.150 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783534494 VIUCKQKRONXTHR-APPDUMDISA-N 440.298 -0.088 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Br)C3)C2)c(=O)nc1O 1783536423 DSVMZLORVWLUDM-YVEFUNNKSA-N 443.298 -0.129 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1783934228 APAGOHPPPJEZCI-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1788609953 FXMHPHRTCDSMLV-UVBJJODRSA-N 441.448 -0.912 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1793317515 CRBRRJDYZOBJKW-OFTGVCEQSA-N 440.360 -0.313 50 20 IBGD CC1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795737711 LMCUPPSKWLLTRD-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD CCn1nc(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750987 ZPTNOWHNDJBVDH-ZSBFGKGUSA-N 441.492 -0.273 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797801489 RYDKHQUWWDTBNH-LHLGERLTSA-N 434.331 -0.742 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799289043 NCCFVTYUICLNGT-GNTLTTKYSA-N 448.432 -0.142 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1Cc2ccccc2N1 1800317062 NTNVFCKPBHVDNX-JWWGGVBKSA-N 435.289 -0.394 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC13CCCN1CCC3)C2 1801012402 DDCYAUTYFAWWCE-UPHUGPLXSA-N 435.569 -0.033 50 20 IBGD COCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802084043 XZJCMWDCDJLZNZ-ACDBMABISA-N 448.325 -0.312 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CN1 1809977977 ODVWPFOBQMPTRD-QGZVFWFLSA-N 427.310 -0.263 50 20 IBGD Cc1nc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)no1 1815337801 WOAUMHRDGQWJAR-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1822411017 WCUBYLHDWJEMED-OLZOCXBDSA-N 448.484 -0.627 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1831658593 XXELDWWOEXGRQV-AUUYWEPGSA-N 427.885 -0.225 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832320583 QMGDHDPPIXYFGJ-SFHVURJKSA-N 430.889 -0.740 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833837654 IQBLJFMUKZRFRM-BLLLJJGKSA-N 430.303 -0.084 50 20 IBGD CN(C)CC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834465496 UBGQWZWAHOOWAD-UHFFFAOYSA-N 431.541 -0.568 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840150435 LNHDDWICWLGCBF-UGSOOPFHSA-N 429.857 -0.591 50 20 IBGD COc1ccc(NC(=S)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cn1 748079373 AFEWNGQVWAYPTC-UHFFFAOYSA-N 429.462 -0.024 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)N[C@H]1CCS(=O)(=O)C1 751362397 OINTUIWGCDNBQC-ZFWWWQNUSA-N 448.505 -0.067 50 20 IBGD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 755138202 CDCHKPILSWCXGM-AWEZNQCLSA-N 436.538 -0.153 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 755358612 FLSGZAHTCDPWRO-LBPRGKRZSA-N 447.539 -0.048 50 20 IBGD O=C(COc1ccccc1O)NNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 763326939 ULFMKIMNMPXWTI-UHFFFAOYSA-N 429.476 -0.300 50 20 IBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2cccnc2)C1=O 763820998 QTCHUFYVZMEXKA-HXUWFJFHSA-N 442.407 -0.435 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCC(=O)N3CCOCC3)CC2)cc1 765749375 MKBUAAWZNVDHLI-UHFFFAOYSA-N 431.537 -0.101 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCn3ccnn3)CC2)cc1 766636859 UZIMHVORENXPHW-UHFFFAOYSA-N 435.510 -0.869 50 20 IBGD CSCCNC(=S)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 769767485 MXQJETPRRSWCAR-UHFFFAOYSA-N 434.345 -0.249 50 20 IBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 783302970 JDVXRYZDQABPIC-UHFFFAOYSA-N 432.524 -0.453 50 20 IBGD CCN(CC)c1ccnc(NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 785226948 LSKBTQPTXZZWLC-UHFFFAOYSA-N 441.452 -0.650 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 787543602 ZAPIUQBPMVDUHR-SSDOTTSWSA-N 448.914 -0.174 50 20 IBGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1 800622895 VPOUXBLVNQWWLF-UHFFFAOYSA-N 441.444 -0.364 50 20 IBGD NC(=O)c1ccccc1NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 808582411 ANCBNLSQGYXERR-MRXNPFEDSA-N 428.401 -0.272 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(Cl)cc2-n2cncn2)n(C)c1=O 814876734 BLJNWDAFIQUHOT-UHFFFAOYSA-N 441.839 -0.182 50 20 IBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)NS(=O)(=O)c1cccnc1Cl 816873565 JZAGSQBISLRSKD-WDEREUQCSA-N 441.901 -0.207 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1778115565 XHMLDXYPESUBQS-WMLDXEAASA-N 437.946 -0.912 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778970882 GMMVAGQZQBYCBF-KKSFZXQISA-N 431.493 -0.298 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1782209505 UTBMXNPSPWPTJS-FOIQADDNSA-N 434.497 -0.317 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210085 DNHNVDZGGSHNTO-JZACPFSMSA-N 449.552 -0.268 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1783934288 CUJIYZQEDHYSSI-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785520940 AXMCSWRBKSVBKF-NRFANRHFSA-N 432.282 -0.601 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610485 AYPQBINIRVBSGC-MZDBXJLNSA-N 432.525 -0.348 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc2nccn12 1790413266 AAZFTLZBRUJWSK-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797749770 QZZDLRUWEZBZQL-DPIQGUFMSA-N 441.448 -0.999 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)nn1 1798037068 ZXIAIZBKKROZDB-CULMDFNYSA-N 445.867 -0.355 50 20 IBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)sc1C 1798406578 AXGZPXQHBSJTLK-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCc2nc[nH]c2C1 1801266875 MHBMQSBFGYIRDR-BCEDRHLLSA-N 438.293 -0.902 50 20 IBGD O=C(CCCc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801477889 SDBXIJHGHFUCDI-HATOLVCRSA-N 437.305 -0.013 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1806699647 PUKQRRZMYIGCRM-HNNXBMFYSA-N 435.974 -0.452 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374144 ITUKBMACNZGLIS-APWZRJJASA-N 440.265 -0.563 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833542375 XNUDSDDYCVLCQK-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835922639 VIFKKYBTGZARPF-LRDDRELGSA-N 428.808 -0.978 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836019221 XNWYLVBUVTWYSP-OAQYLSRUSA-N 435.525 -0.223 50 20 IBGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CN1 1837921666 UTWWHOIPHRERLJ-INIZCTEOSA-N 443.309 -0.885 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838246056 GYPIUUCJDMIECL-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840862444 GCCHGYZSVDCLIN-UWJYYQICSA-N 448.350 -0.420 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)C(=O)Nc1ccccn1 758839659 PMGNWFQWQVDESC-UHFFFAOYSA-N 427.389 -0.186 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 764325557 OMMJGHRIGJSWEV-UHFFFAOYSA-N 441.510 -0.865 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 780382559 IEQUMCKMOUSZTK-UHFFFAOYSA-N 430.464 -0.731 50 20 IBGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 807381492 WYPYCYJGRUBISU-UHFFFAOYSA-N 434.522 -0.053 50 20 IBGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 919884433 FRRZQOUDVUITLC-NSHDSACASA-N 434.471 -0.579 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1115995342 OIHWJZUUMGVARC-UHFFFAOYSA-N 426.437 -0.029 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 1342794317 YOJGIUJWGIOCGP-UHFFFAOYSA-N 433.494 -0.201 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781337598 TVEXTBPIVJLUBE-CKFHNAJUSA-N 449.932 -0.308 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1ccnn1 1781545790 UXZHYLDIPCGODU-RRMPHLOHSA-N 441.297 -0.653 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C2 1782214038 JVCMTQYAKRWDSS-DNVCBOLYSA-N 446.570 -0.692 50 20 IBGD Cc1nn(C)c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784700890 IIKLZBVMSQEAPZ-WDSOQIARSA-N 440.309 -0.376 50 20 IBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984564 SUYBPAWTPKAHTD-XIRDDKMYSA-N 444.322 -0.638 50 20 IBGD Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1F 1795732521 QAZZNGBIVVBSGR-XOIINTDNSA-N 430.245 -0.936 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc[nH]c2nccc1-2 1796184923 AVULECOGWXFWRF-CCWDJLKJSA-N 434.261 -0.289 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2 1796439573 MJZZLDWOAYWPKG-UCCBVSCDSA-N 431.478 -0.125 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1800983362 ZOMPVWKQYTUVDO-XFMPKHEZSA-N 428.873 -0.899 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3N1)C2 1801012999 POYKGIFLTRMCIF-HPNQWNLUSA-N 429.521 -0.014 50 20 IBGD Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360356 AQWGLXCNFHBRDP-QFBILLFUSA-N 434.265 -0.477 50 20 IBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812620663 KQAFFDFMWUHGGY-DNVCBOLYSA-N 439.476 -0.464 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832381123 UACQKJHOGXNKPO-SJKOYZFVSA-N 445.314 -0.166 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833315991 MKJCLNUGDAIGDR-IFXJQAMLSA-N 440.884 -0.496 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797825 AWDJEPNSUPDSDV-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD O=C(c1cccc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939422 PYVVWALNOSTJSK-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1839141813 UMJQBOOEFGRWFY-JKIFEVAISA-N 439.962 -0.212 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1839967396 LCWIPRWAYQCXBV-HEHGZKQESA-N 445.318 -0.136 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840183668 SQFORUPOQQLNFG-FQEVSTJZSA-N 436.465 -0.917 50 20 IBGD CN1CCN(C2(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)CC2)CC1 1845102497 HLOMMSBIFCKNMF-UHFFFAOYSA-N 441.536 -0.718 50 20 IBGD O=C(NCc1nnnn1C1CC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745911348 WAIONAKHNQOGMS-UHFFFAOYSA-N 434.482 -0.063 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 748459405 GUHGFVXVCWQCBE-UHFFFAOYSA-N 426.518 -0.118 50 20 IBGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cccc1S(=O)(=O)NC1CC1 756704262 FCSJFQVKICBYRH-JTQLQIEISA-N 433.512 -0.474 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1C 763678674 ADNVUVMMMUPIBH-UHFFFAOYSA-N 428.449 -0.057 50 20 IBGD CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COCCO2)c2ccc(Cl)cc21 764426051 SHMHXAQHWVBTJO-XHDPSFHLSA-N 438.868 -0.189 50 20 IBGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n1 764434870 SGUIQSXNQOPOAC-OAHLLOKOSA-N 431.405 -0.450 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)ccc1Cl 769254729 YTRIYEGJNOHXHJ-UHFFFAOYSA-N 436.837 -0.447 50 20 IBGD CCNC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 772412364 SWLIASOTGKGLLT-LLVKDONJSA-N 439.416 -0.032 50 20 IBGD N#Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 808067746 BILASHAZVYWXAK-UHFFFAOYSA-N 440.459 -0.205 50 20 IBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 819841120 PXLIYMVESCTSHL-MRXNPFEDSA-N 449.441 -0.213 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1779034894 WJBSKTPBHRPZTL-OAQYLSRUSA-N 440.460 -0.528 50 20 IBGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1780702475 ILBLLQVTEMAVOV-WHWRDJHUSA-N 437.888 -0.043 50 20 IBGD C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094632 ALVXYDRMRVVMRC-PHXBYCTMSA-N 446.552 -0.483 50 20 IBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2)NC(=O)NCc1ccccc1 1799871542 MSBAHJSWHDHNSH-MHORFTMASA-N 431.541 -0.743 50 20 IBGD COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1F 1801009368 ANVOGVXFMMIACX-ZSBFGKGUSA-N 437.472 -0.195 50 20 IBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1OC 1801011799 FWEHVPWXQZYCKR-ZSBFGKGUSA-N 449.508 -0.325 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807692017 IUFTUCLBJIQBRP-OXJNMPFZSA-N 428.497 -0.248 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474840 HMJBPJQHWIKPRJ-PXAZEXFGSA-N 427.270 -0.080 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826819357 SFAOWWFSQBKEQS-OALUTQOASA-N 444.341 -0.808 50 20 IBGD COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)(C1)C2 1830735640 JJOVLCMSBKQZCR-LUPGOKSRSA-N 430.885 -0.614 50 20 IBGD Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935571 UHQXECVQPAINTM-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD Cc1cn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c(=O)nc1O 1840190348 SAVBUPJWMJBESA-QGZVFWFLSA-N 449.291 -0.483 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013817 QVNQAIOVVURBOO-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844624507 KDRHCEMFRPWZIK-UHFFFAOYSA-N 438.274 -0.433 50 20 IBGD CSC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 728373311 ZMCZVTBUXDURQN-FDYHWXHSSA-N 431.536 -0.525 50 20 IBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729283403 PLFWMMIDUXQTQM-UHFFFAOYSA-N 432.462 -0.415 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O 745736338 ALTHVESAYKAWCM-BJOHPYRUSA-N 427.841 -0.072 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 758038698 GDFZBWYPZCJTIU-UWVGGRQHSA-N 447.311 -0.113 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763680016 BHGLNWMWTNWEAR-UHFFFAOYSA-N 431.430 -0.369 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1F 764226283 HKJORWRTNJNANY-ZCFIWIBFSA-N 425.236 -0.388 50 20 IBGD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764230353 HHNOTMWBTOTHIZ-SECBINFHSA-N 447.901 -0.498 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1 764234681 ZDARPZMLNOUJHM-VIFPVBQESA-N 428.858 -0.451 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 764393970 LWJVHETUXCXSBL-UHFFFAOYSA-N 448.505 -0.201 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1S(=O)(=O)NC(C)(C)C 764425027 MRODHOWNKKQURS-CYBMUJFWSA-N 442.494 -0.427 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cc(C)[nH]n3)CC2)cc1 766635725 DPEKVWCBZGXMQK-UHFFFAOYSA-N 434.522 -0.277 50 20 IBGD CCCCn1nc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)c2ccccc2c1=O 776640325 YYEZNQPINGJHAM-UHFFFAOYSA-N 430.465 -0.001 50 20 IBGD C[C@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2NC1=O 784004321 WHOGKNLVQUTILI-SECBINFHSA-N 431.430 -0.017 50 20 IBGD Cn1cc(/C=C\C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 809246682 XLLDXZKFNJRVHY-YVMONPNESA-N 431.361 -0.990 50 20 IBGD Cc1cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 812728316 JVOVNAPHBMUIFV-UHFFFAOYSA-N 446.489 -0.052 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 814194133 ACWYIPULTDZHBC-CQSZACIVSA-N 434.478 -0.677 50 20 IBGD C[C@@H]1CN(c2ccccc2C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CCO1 915957342 IXNHJASGWFWIPJ-CYBMUJFWSA-N 432.506 -0.054 50 20 IBGD Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779030622 DOAFILGRAAKHJB-IBGZPJMESA-N 429.437 -0.937 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1783933792 GYCRFLJCVFEPAW-SFHVURJKSA-N 426.905 -0.261 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784138951 ZNTIFRHMMBIWDS-ZGDBYOLNSA-N 431.493 -0.320 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031389 DBBXJAGNFUPRCX-UWCDFFNFSA-N 435.308 -0.246 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)on1 1785088862 VZZAORMWIKGYIE-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1788610863 XWCWBMLKMYWGBW-JQFCIGGWSA-N 427.465 -0.825 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(N2CCOCC2)cn1 1794439729 CUXNSTAZXYMFEY-LTCOOKNTSA-N 438.912 -0.279 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)no1 1797751831 TYJULDWOSYJAKX-DPIQGUFMSA-N 428.449 -0.248 50 20 IBGD O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807676148 FISWHVQRBJFNSM-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354914 XFPKXINHVZOSLX-IAQYHMDHSA-N 444.322 -0.085 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832184215 LUITVZIEPOIYJV-KRWDZBQOSA-N 448.178 -0.663 50 20 IBGD O=C(CN1CCCC1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833100422 BUKAARCOFSLNJW-UHFFFAOYSA-N 442.369 -0.353 50 20 IBGD COC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799886 KUHUCOZSDGRFBH-MRXNPFEDSA-N 431.342 -0.166 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2)NC(=O)NCc1ccccc1 1845038724 LTVHKEMNXQWRDI-UHFFFAOYSA-N 441.496 -0.777 50 20 IBGD O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 27376378 XBBMVLKHRBJDTA-UHFFFAOYSA-N 432.481 -0.014 50 20 IBGD NS(=O)(=O)N1CCC(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1 744621985 LGBSKHOEAUOVJT-UHFFFAOYSA-N 447.539 -0.934 50 20 IBGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440273 GJJHRQQRAJGSSG-VIZYAEIXSA-N 440.412 -0.587 50 20 IBGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916183 BHSZZGXHUUYMJL-UHFFFAOYSA-N 439.388 -0.143 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1=O 764166270 AIBNGVLOWGZHHQ-OAHLLOKOSA-N 428.401 -0.499 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccccc1-n1cnnn1 766643190 ADJVUHKYEQATFD-UHFFFAOYSA-N 434.460 -0.119 50 20 IBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)CN1CCC(=O)NC1=O 766664429 QJYZSRSLDNHSMC-UHFFFAOYSA-N 436.900 -0.453 50 20 IBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 766970813 YVSBZJBOKMEHAM-UHFFFAOYSA-N 431.434 -0.307 50 20 IBGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 771607401 LXVXTFSPLXFOKC-UHFFFAOYSA-N 446.894 -0.387 50 20 IBGD C[C@H](C1CC1)n1nccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 776020540 WNKFGRVRGHUQFL-SNVBAGLBSA-N 429.441 -0.546 50 20 IBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 777779067 CQNFAXCTIWPFJV-CQSZACIVSA-N 437.316 -0.467 50 20 IBGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 789588823 GSCCBOGWCZEUIW-UHFFFAOYSA-N 440.210 -0.038 50 20 IBGD COC(=O)c1cn([C@H]2CCN(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2)nn1 793218753 VOESHOPLESGKDK-AWEZNQCLSA-N 445.436 -0.021 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2(S(C)(=O)=O)CC2)cc1 793270131 MBBKLIWJOLKJLD-UHFFFAOYSA-N 432.524 -0.477 50 20 IBGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 813495423 AFSJSXDVOXXCTL-ZDUSSCGKSA-N 427.469 -0.699 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1248595815 QJRKWABHJBXJEB-LBPRGKRZSA-N 431.540 -0.832 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1778795306 CIYLHKLCTUGEIN-LAUBAEHRSA-N 447.492 -0.284 50 20 IBGD Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1=O 1779028662 HIQNQTJADFDOBI-NRFANRHFSA-N 440.460 -0.859 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779037311 VLFKYKXXQYCYPI-LRDDRELGSA-N 444.261 -0.181 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782691084 IPOTXAXBHZGLPH-HTAPYJJXSA-N 431.342 -0.212 50 20 IBGD Cc1noc(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980244 ZLPDAKBJVFNMIK-VDGAXYAQSA-N 441.293 -0.193 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797753109 SXJNAPQJXPPLLW-OTMMVIPVSA-N 444.261 -0.421 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803671874 NQFMNOAIXXAZHT-PTSWNOGYSA-N 432.525 -0.028 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1825993133 DRTCNQCJROUOCR-OYNCUSHFSA-N 429.886 -0.093 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732124 RPTAAIYOPNHKBB-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831627903 GHUUIGARXGHTRD-XOBRGWDASA-N 435.481 -0.962 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838972050 LKAMRZQCVARDAL-NRFANRHFSA-N 434.493 -0.165 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839963361 INOOWTVSMMVXAK-IIYDPXPESA-N 432.315 -0.105 50 20 IBGD C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1840021443 GALIQNIVDLNDGE-NJSLBKSFSA-N 449.932 -0.044 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840032097 NUJLUMCBUZOKNL-CXAGYDPISA-N 432.315 -0.151 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840156833 VLDCGSCDKGUUTL-LIRRHRJNSA-N 427.885 -0.082 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1840183558 LYIWHAPTWSTBSY-GOSISDBHSA-N 425.511 -0.414 50 20 IBGD O=C(NCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccs1 1842063834 BBTTVRQFDCUMMU-UHFFFAOYSA-N 427.291 -0.325 50 20 IBGD O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)c1cccs1 1848220301 WDJDAFFZVSPQCX-HOTGVXAUSA-N 427.291 -0.327 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccccc3O)c2)CCN1 730780574 YYMUVLUKNPATRC-UHFFFAOYSA-N 448.457 -0.647 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(OC(F)F)c2)n(C)c1=O 755815868 DUJVIYOMOCNKDO-UHFFFAOYSA-N 437.363 -0.112 50 20 IBGD COCCn1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 763530244 GGDOUIAWEOIXJS-UHFFFAOYSA-N 443.508 -0.172 50 20 IBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2c1CCCC2 764233384 WMHORJIEFGFJDC-QMMMGPOBSA-N 446.507 -0.563 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 764434915 SNAZBNMXTQNOSD-HNNXBMFYSA-N 436.490 -0.694 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(NC(=O)C3CC3)c2)n(C)c1=O 765722277 VBHDJULPHSHTFC-UHFFFAOYSA-N 439.432 -0.757 50 20 IBGD CC(C)(C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)C1CC1 786390043 GKGVJXXADRAGSU-UHFFFAOYSA-N 436.534 -0.052 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F 792698819 QTALSNDSDOYIOY-ZCFIWIBFSA-N 449.385 -0.469 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937852 YBAWZDLULXXVOG-KUHUBIRLSA-N 428.486 -0.249 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3S)C[C@@H]21)c1ccc(B(O)O)cc1 1786978644 HDMJAVXFXOZANE-WBAXXEDZSA-N 441.318 -0.043 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792871245 RYAYDVKMQXBBEF-TVKJYDDYSA-N 434.331 -0.242 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)CC 1800641614 FTFYYCWJJCRUGC-XJBAAKRRSA-N 436.303 -0.186 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368769 YOSPCHQVPYNJJR-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807676149 FISWHVQRBJFNSM-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD O=C1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CN1 1815347634 HVQJRKCGQMHPSL-GXTWGEPZSA-N 442.306 -0.425 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720127 TVNVAQWLQAEZDX-QFBILLFUSA-N 428.869 -0.173 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736985 CBSYXYGGXWOJSI-DOXZYTNZSA-N 427.885 -0.095 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831425383 CTKBNLJZKBHUAR-YCRPNKLZSA-N 447.492 -0.654 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835261898 VJFSWNZNBCIZQX-SMDDNHRTSA-N 427.317 -0.729 50 20 IBGD N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835632673 FMCOOHPZXGAMFL-MRXNPFEDSA-N 432.319 -0.932 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835637355 AVTGUZHSZMTTAH-IRXDYDNUSA-N 436.340 -0.481 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837767854 NPSNBDYEQLGJJS-FZKQIMNGSA-N 449.838 -0.087 50 20 IBGD O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NNC(=O)[C@H]1COc2ccccc2O1 741344566 XXULEODROJBTHS-UDJKBAMHSA-N 444.400 -0.567 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCS(=O)(=O)NC(C)C 746512416 KCBGZMCUTQHZPL-UHFFFAOYSA-N 434.544 -0.440 50 20 IBGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758049366 ZAZPIFCSQFNAKG-OCCSQVGLSA-N 426.495 -0.225 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 764434626 QYZAEBVPMBUGQT-DLBZAZTESA-N 442.476 -0.169 50 20 IBGD CC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765732922 YLEWTTCRNHVSSF-GFCCVEGCSA-N 432.412 -0.422 50 20 IBGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 789857354 DAHWPOAORNWRPG-UHFFFAOYSA-N 433.490 -0.383 50 20 IBGD CN(CC(=O)NNC(=O)CNC(=O)OCc1ccccc1)S(=O)(=O)c1cccnc1 794060413 JMQNREBEXDRBPG-UHFFFAOYSA-N 435.462 -0.224 50 20 IBGD O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21)C(=O)NC1CC1 809969562 WABHZYILSDRWNA-NMTFTXLRSA-N 448.479 -0.108 50 20 IBGD CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 913054528 YSJMWDYMVQBLMH-OAHLLOKOSA-N 435.525 -0.003 50 20 IBGD CCn1nc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)c2ccccc2c1=O 933454302 VAPXWFZHQODQQE-UHFFFAOYSA-N 433.490 -0.231 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1779029157 MAEQJHYMSVMBHF-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc[n+]([O-])c1)C2 1782209015 GRGGHYOVYGVCJT-DYESRHJHSA-N 433.509 -0.180 50 20 IBGD CN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CC1 1783598482 UJXQZXOSQXEDCK-SNRMKQJTSA-N 444.536 -0.380 50 20 IBGD CC(C)(C)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786833163 FAEUYBVKUIJQJK-JQFCIGGWSA-N 432.525 -0.334 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn(C)c4c3CCC4)C[C@@H]21 1791291186 NYJZFVUJLBYYJB-ZVZYQTTQSA-N 446.552 -0.125 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737621 BYPGTBWYAUPSCK-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750580 MJGVLOHIYIIYTK-SHXSXUFKSA-N 431.449 -0.992 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)n1)C2 1797751816 SXDCOJLOGIDMMD-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)CC1 1805524272 NNNOCTRCWMAYMP-QGZVFWFLSA-N 428.961 -0.019 50 20 IBGD O=C1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)N1 1814400900 FXAJZJDGCYAAKW-GXTWGEPZSA-N 428.279 -0.673 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331892 VDNSNGUTRZIWSX-NWDGAFQWSA-N 434.946 -0.405 50 20 IBGD O=C(Cn1cnnn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055397 YGGITIISGFONPN-SFHVURJKSA-N 426.286 -0.714 50 20 IBGD COCCCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833241136 TXXRKHFYUVXULV-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD O=C(/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)NC1CC1 1833310118 JIWBASINGVZTPW-LIMHQNJXSA-N 426.945 -0.008 50 20 IBGD C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833464816 VSBZYYCXQUAGSG-KRWDZBQOSA-N 441.337 -0.410 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798965 JDYPVRZVUWSRJD-HNNXBMFYSA-N 444.341 -0.924 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 21967837 DNPNDDNPEUSGGJ-UHFFFAOYSA-N 425.492 -0.037 50 20 IBGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1csc(N2CCOCC2)n1 727764713 INEJMESAEQJESF-ZDUSSCGKSA-N 438.491 -0.529 50 20 IBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 731842133 HNJXXHMKDPRNLW-QGZVFWFLSA-N 432.477 -0.068 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(N)cc(S(C)(=O)=O)c2)n1 747720951 FYBONYUFBHTEEY-UHFFFAOYSA-N 426.476 -0.016 50 20 IBGD CNS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 751557880 IIUMIEYSTDNEJL-UHFFFAOYSA-N 440.503 -0.525 50 20 IBGD CCc1c(C(=O)NNC(=O)COc2ccccc2O)cnc2c1c(=O)n(C)c(=O)n2C 754020379 DYFZUIFQHMYVBO-UHFFFAOYSA-N 427.417 -0.260 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 815472565 DSHFQSRELSBNIZ-DVOMOZLQSA-N 443.412 -0.532 50 20 IBGD C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 915483623 KFGGIFPOZOBUJU-CYBMUJFWSA-N 435.458 -0.036 50 20 IBGD COC(=O)C1(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCOCC1 1320828742 LWHSLFALRDJRKJ-UHFFFAOYSA-N 427.483 -0.107 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981830 AJCPSJXTKIAZEF-IHPCNDPISA-N 429.326 -0.554 50 20 IBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269298 RSADDPZEVOHGKP-MNXVOIDGSA-N 437.888 -0.187 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788498224 MOICASHTVZKMKF-QTIVQTDVSA-N 435.525 -0.826 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1CC(=O)N(C2CCCC2)C1 1793775081 BCKJOOCFYOPISN-BHUQQCALSA-N 427.929 -0.033 50 20 IBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc2ccccn12 1795739251 WRWYLJDCLNLKMX-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)no1 1796191577 ZUQQHDKCAZJQKK-BJWYYQGGSA-N 440.265 -0.655 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796300550 WGEGYYJPBMZBTP-AICCOOGYSA-N 449.932 -0.285 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(Cl)ncn1 1798307535 NDZLYKBJXOEKBA-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](N)c1cccnc1)C2 1801013430 WHKNSIBIHPHBDL-DLRJPAPCSA-N 432.525 -0.566 50 20 IBGD O=C1NCCn2nc(C(=O)N3CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]3c3cccnc3)cc21 1803141175 LYAXNNIUHRVRNA-COXVUDFISA-N 446.895 -0.059 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnn1 1812395874 KNUDNAYUMUGBTE-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1813071028 MGCCKQRAGKXFQU-JXFKEZNVSA-N 444.540 -0.700 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720124 TVNVAQWLQAEZDX-APWZRJJASA-N 428.869 -0.173 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831425380 CTKBNLJZKBHUAR-BTYIYWSLSA-N 447.492 -0.654 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826719 UMHWSFBWIHKAKF-QGZVFWFLSA-N 449.346 -0.399 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738262 QDACOEGNMPARQV-CQSZACIVSA-N 445.524 -0.995 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1835931243 JTCAZQRUVXMASB-HXUWFJFHSA-N 448.668 -0.003 50 20 IBGD O=C(Cn1ccccc1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199889 YPURPXZVVCGWJL-WBVHZDCISA-N 446.273 -0.005 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840129514 XFOWRRVSZQBTGI-YCRPNKLZSA-N 432.282 -0.948 50 20 IBGD O=C(C(Cl)Cl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840189929 UFDCKVDXLQPYLS-NHYWBVRUSA-N 429.322 -0.176 50 20 IBGD CN1CCCn2nc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cc2C1 1843014882 MDDMHCBPRKTQIF-UHFFFAOYSA-N 437.309 -0.471 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)c1 728312176 GVJTYSKVKYEHIJ-UHFFFAOYSA-N 440.503 -0.412 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)n1 728730119 HGJOZSAVSIJSPZ-LLVKDONJSA-N 437.478 -0.062 50 20 IBGD O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307186 BFQSLYQERPLOBH-SECBINFHSA-N 443.425 -0.434 50 20 IBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Br)c[nH]1 746091656 HMYFFWNQUBZCRK-UHFFFAOYSA-N 444.267 -0.384 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1CCC(C)C 750423755 KHMCVNMRLUWYBL-UHFFFAOYSA-N 430.469 -0.554 50 20 IBGD O=C(COC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 751669119 FITRAJPJLVTXHZ-NHYWBVRUSA-N 429.389 -0.707 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(N2CCOC2=O)cc1 764812697 ORDSEYWLWWRPHR-UHFFFAOYSA-N 439.432 -0.069 50 20 IBGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005003 NZVSKFDHNCRMQO-UHFFFAOYSA-N 433.446 -0.368 50 20 IBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)N1CC(=O)NNC(=O)C(C)(C)C 799167636 BBKHWHDGDNEAMV-OKILXGFUSA-N 426.562 -0.232 50 20 IBGD COCCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916628616 WATUPJNKQZRBLV-UHFFFAOYSA-N 430.483 -0.686 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778685138 HFZJWODNNHRDBT-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415526 FJFLIOPYUAQXAH-IBGZPJMESA-N 428.210 -0.640 50 20 IBGD O=C1Cc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2N1 1782409228 PPMBIFHJNYLHPA-QHCPKHFHSA-N 449.272 -0.382 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H](O)c1ccccc1 1786670682 KIMMTZGVXHVTQC-ZIBCJSCZSA-N 438.289 -0.307 50 20 IBGD CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979912 NPQKLHZYAMUBSQ-SZMVWBNQSA-N 441.297 -0.554 50 20 IBGD CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1790873067 XIVOODQJZCIYHK-NBSPSWBDSA-N 446.508 -0.374 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2)c1ccc(B(O)O)cc1 1795736793 KNIDSEOZHCXLRJ-XEMDLRDOSA-N 426.282 -0.754 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800581644 LPNXDKDSYZYAID-FQLMCAECSA-N 436.347 -0.964 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732955 ZACDSSKNBNFPAA-SCLBCKFNSA-N 427.841 -0.520 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733415 LSABUTXASAORNX-KDOFPFPSSA-N 430.841 -0.527 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830737246 FWGQPHKMGLLMRT-BIENJYKASA-N 449.932 -0.044 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833993439 VESZFSSFJRFKLW-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457144 WUQIUWPJMXQCBP-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD CN1CC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 747406151 WAHWNRBGZWQEIR-UHFFFAOYSA-N 437.478 -0.484 50 20 IBGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)c1 752513581 GBRAVWNVOOPDCC-VXGBXAGGSA-N 440.478 -0.426 50 20 IBGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1S(N)(=O)=O 754326470 OIDCDZWBVQYYEP-OAHLLOKOSA-N 449.441 -0.213 50 20 IBGD CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765727123 JNOCYIUUBHEHAH-MCIONIFRSA-N 434.497 -0.045 50 20 IBGD COCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 779899022 INWJYSJYXFUUTC-CQSZACIVSA-N 429.495 -0.400 50 20 IBGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)n1 792868458 SGTYBLUZTQAVMC-UHFFFAOYSA-N 436.450 -0.557 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 795079467 AZRUUNBDBZEDQU-VHRBIJSZSA-N 428.515 -0.807 50 20 IBGD O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NNC(=O)C(=O)N1CCCC1 798492547 FQNHDOFWQOCQRC-UHFFFAOYSA-N 431.902 -0.039 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)N=c1cc[nH]cc1 802032750 UWKRGBVUIOEASC-UHFFFAOYSA-N 435.462 -0.001 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CCN1 914457448 ZZRZUFJSUATEKF-UHFFFAOYSA-N 447.429 -0.210 50 20 IBGD CCc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1779032497 LSOPUCHADMMQPW-FQEVSTJZSA-N 428.449 -0.007 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783343325 SXEBGARMNRQELF-CRAIPNDOSA-N 439.115 -0.017 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1786979748 OHLIPCTZYNZFDM-ZVDSZYIKSA-N 441.337 -0.700 50 20 IBGD CN1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1789742289 NIFYSQIKRAEEQA-UMGGQSCQSA-N 429.326 -0.699 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1790961230 XNLPDHMGALKMRW-BWJWTDLKSA-N 448.358 -0.210 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cc(F)ccn1)C2)c1cccc(B(O)O)c1 1795737356 VPANXNVGJNHNLZ-VPTLXERWSA-N 441.268 -0.264 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798263890 AZRMYGLAKQTLNP-JUCJAWLRSA-N 448.480 -0.177 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800672346 MFEJTMJNUDRNLM-JLVBRIDZSA-N 447.297 -0.906 50 20 IBGD Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1804745283 DSWDKBOAFHAJJU-KDOFPFPSSA-N 449.475 -0.158 50 20 IBGD CN1CCN(CC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CC1 1809972443 PMKNKZBIJBCUCH-UHFFFAOYSA-N 442.369 -0.541 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1834347304 STSOWMJESSYCHE-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835929555 VXBAGXGPQOILAF-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1835931720 YUCJEVMHLXOJIN-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD COC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837661091 GHXFOEWXJKOELU-UHFFFAOYSA-N 446.309 -0.068 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1838125625 ZPUBOAWSHGZCSR-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1840615809 FMEINKORYLFANQ-QFIPXVFZSA-N 446.309 -0.604 50 20 IBGD CN(CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 732891561 NJVNRHOPKLYLOL-UHFFFAOYSA-N 425.511 -0.254 50 20 IBGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc(OC)c1OC 742473259 YZBPZYMGRYSLPL-HOJOPBEUSA-N 433.417 -0.364 50 20 IBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2=O)n1 743509948 NRVJSQGPRROWGZ-LBPRGKRZSA-N 448.509 -0.147 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc(Cl)c1 745484650 WZFPZGKTWCRTBV-BHTHQVBYSA-N 435.820 -0.193 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2C[S@](C)=O)n(C)c1=O 762891581 FTLAVXRABINCPO-HKBQPEDESA-N 447.477 -0.835 50 20 IBGD Cc1ccc([C@@H](C)[C@H](O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765177587 SSWPZKXNSFTGSY-WBMJQRKESA-N 428.449 -0.946 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3cnn(C)c3)CC2)cc1 765730938 YHOVGYWAMLEFCL-YVMONPNESA-N 446.533 -0.104 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CCCS2(=O)=O)cc1 767174241 HBRQEEZZDDFNKH-AWEZNQCLSA-N 432.524 -0.477 50 20 IBGD C=CCS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 783302912 CAYHZBNKSRXZOY-UHFFFAOYSA-N 446.555 -0.755 50 20 IBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1F 797368919 IXPMLMFFDDWODF-UHFFFAOYSA-N 431.380 -0.063 50 20 IBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883999 HDZALLOXISWWCB-LLVKDONJSA-N 443.507 -0.977 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780365656 IXIMYKAKSOCUIK-INIZCTEOSA-N 447.418 -0.360 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCO2)C1 1781974637 NSOULHNBLXPGPV-CSODHUTKSA-N 431.493 -0.008 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090405 DUBSEVHCBHJORE-PMECOZHMSA-N 439.900 -0.300 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1791057394 UMECZZSSPLBVIV-NGDQXYMTSA-N 431.287 -0.652 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793245269 MMZQEQIMVYNWOF-ZRTBGNQHSA-N 446.508 -0.375 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439479 BREXSWOLULPUMQ-FQUUOJAGSA-N 437.522 -0.382 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CN)C2 1798522406 VXIMBLSXUNSKNC-RBNVPPIJSA-N 435.437 -0.991 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800977159 KEZPPZHNNQAUQP-YYIAUSFCSA-N 428.961 -0.390 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnn1 1807372172 BKTFQAPZVOEHNX-MOXGXCLJSA-N 448.292 -0.066 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808261475 KEIIZEKYTYAPQH-YJRUMGGASA-N 440.508 -0.493 50 20 IBGD CC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1817024464 ODTOAWGKFSMLLE-QWRGUYRKSA-N 439.542 -0.125 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797761 CGTYWSYUWIUMJX-KKSFZXQISA-N 445.369 -0.041 50 20 IBGD COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456684 PHAVXLHGCVHTHS-VLIAUNLRSA-N 435.481 -0.962 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105925 VKPAAFHVXHMVGD-QKLQHJQFSA-N 446.976 -0.668 50 20 IBGD O=C(CCn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203692 SLIPVOKJCCAWJM-HIFRSBDPSA-N 434.266 -0.185 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839412890 RFKIWNKJSRQCNU-CRAIPNDOSA-N 443.840 -0.030 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(S(C)(=O)=O)cn2)C1 1842255755 BCOFGWGHTBFNGB-UHFFFAOYSA-N 437.522 -0.325 50 20 IBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 756771290 UIMCLRRAQPQTGZ-UHFFFAOYSA-N 438.470 -0.917 50 20 IBGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1OC 771595518 JMOZYYHCVWZFKP-UHFFFAOYSA-N 441.418 -0.177 50 20 IBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(F)(F)F 790052436 FZZRPCUVODNYFL-ZETCQYMHSA-N 447.413 -0.261 50 20 IBGD O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)c1csc(N2CCOCC2)n1 912852192 PBPWWOOQNOXJCG-UHFFFAOYSA-N 443.482 -0.142 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 915474230 PYVISLWYSSJRQF-UHFFFAOYSA-N 441.487 -0.021 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)CN2CCOCC2)cc1 916469501 AHKPIPGGSSRMPL-OAHLLOKOSA-N 427.527 -0.333 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)N(C)C)C2 1778091457 RBBRABHSZMJQOI-LXPZDEJYSA-N 446.508 -0.278 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1778357273 UUZOCWZMPIMMKI-DOTOQJQBSA-N 449.321 -0.329 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1779310369 DTNUBHGGCQQJOA-HACGYAERSA-N 434.331 -0.002 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779966370 FZRDLYAUXKWAJJ-FOIQADDNSA-N 434.497 -0.317 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247904 OKSOKZDLLDPHGV-FINLKQIMSA-N 441.448 -0.653 50 20 IBGD CCOc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1 1780427723 XJVZQXCHDSYVSZ-OAQYLSRUSA-N 440.265 -0.688 50 20 IBGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1783532730 BSFCXJGFFIXSRL-ORIYOMJCSA-N 435.525 -0.803 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCCO3)[C@H]2C1 1783611995 IXXAQFXMYUKGQE-MGHWNKPDSA-N 431.493 -0.153 50 20 IBGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784530747 PZSFARHPKOCXEW-JYJNAYRXSA-N 425.530 -0.746 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788573594 ZUHYNOKLOPMXMT-WNHJNPCNSA-N 430.310 -0.467 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21)[C@H](F)Br 1789924712 BXVIVVDDDBFKMZ-ASHKBJFXSA-N 431.262 -0.087 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1792970418 CDMINZXVEHCOKN-WPECMILSSA-N 438.525 -0.462 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439966 QJLUHMCDGOUSMG-UMPJEAMMSA-N 432.481 -0.912 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=N)N)C2 1800332677 VIMUXLRWEVSDQN-XSDCOXNMSA-N 432.431 -0.056 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013050 RYNZMXMPNWIDJI-PDOICOKGSA-N 425.574 -0.073 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833875256 FRYLASMONNDBKA-BLLLJJGKSA-N 430.303 -0.084 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139805 WVVDWNZKCQYODB-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839146254 WYEHRUMZIMEBMV-FXAWDEMLSA-N 444.960 -0.376 50 20 IBGD O=C(C1CCC2(CC1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839772966 PTWOZPYZKDAKMU-QFBILLFUSA-N 446.928 -0.024 50 20 IBGD O=C(C(Cl)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839784959 BIPHRCHVQGLMJT-IAQYHMDHSA-N 429.322 -0.176 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182476 JSKVNXHSXCRGRF-IEBWSBKVSA-N 430.571 -0.230 50 20 IBGD CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840523072 HTTZBNLWVVQSLY-FQEVSTJZSA-N 435.481 -0.818 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840620208 JEFLETAYPHZBAL-LJQANCHMSA-N 435.456 -0.353 50 20 IBGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733347852 CDTZQMOWBLLLMZ-UHFFFAOYSA-N 425.449 -0.351 50 20 IBGD Cn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1=O 763531907 SXYJMDYGCKCWRS-UHFFFAOYSA-N 426.477 -0.317 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2csc(-c3ccoc3)n2)n(C)c1=O 765724085 HSULVANWBAQQSM-UHFFFAOYSA-N 443.445 -0.460 50 20 IBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)nc21 770959026 VPKZHMWBAQUBKK-AAXDQBDMSA-N 429.437 -0.108 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 780887447 PREKPEAMUFNELB-AWEZNQCLSA-N 437.522 -0.043 50 20 IBGD CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1 793027159 YECQODZSBKDCDD-UHFFFAOYSA-N 441.444 -0.201 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1323151186 NWXPHBYTKDWWNC-NSHDSACASA-N 433.483 -0.194 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778462815 LKWBRRXNLUJAGN-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD Cc1ncncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032153 CMPMSSNKELFGMA-HXUWFJFHSA-N 425.449 -0.459 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc2ccccn12 1787931721 NWMOOUOMJUNPLC-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610041 YMUVYVXMVNLSCI-BODMPHMZSA-N 432.525 -0.381 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 1791896844 MIYBXGQYHGTPQI-BZSNNMDCSA-N 445.520 -0.248 50 20 IBGD Cc1cc(NC(=O)CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)no1 1796190964 JHBMEGBEHGOMDF-BJWYYQGGSA-N 440.265 -0.057 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443936 QTPATVYLHQFRNV-WLMGVDHJSA-N 432.481 -0.765 50 20 IBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2)NC(=O)NCc1ccccc1 1799869099 CZEIZYMSUBNMLP-BJWYYQGGSA-N 445.524 -0.361 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1800976931 MGUVIZJGOKGUJI-ZWUHOBOKSA-N 439.900 -0.526 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810493490 PEZMQAFHDILUCE-GFCCVEGCSA-N 437.888 -0.089 50 20 IBGD O=C(CCn1ccnn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813430010 BMBTXNUZMTWXJC-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350207 KGDFLVHQLXNMDB-RISCZKNCSA-N 444.322 -0.037 50 20 IBGD O=C(CCC(F)(F)F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835321630 BKXZKMGUIZLADY-GOSISDBHSA-N 444.215 -0.221 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1835933846 DOPZWIHJAVUACR-QGZVFWFLSA-N 448.178 -0.663 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840033742 OMTLNGWJVWEULK-ZBEGNZNMSA-N 445.318 -0.441 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 728202940 DNWJPOYMRYSONJ-KGLIPLIRSA-N 445.519 -0.660 50 20 IBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccs1 729530631 FFDURZRDVBCVFJ-CYBMUJFWSA-N 428.478 -0.086 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2ccccn2)nc1 729656291 ACPKTBKJYJRBEA-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 742029371 JSMYSGPSANWMSM-UHFFFAOYSA-N 443.493 -0.107 50 20 IBGD CCn1nc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)c2ccccc2c1=O 749399130 GYZDUBGZXJVOSX-UHFFFAOYSA-N 433.450 -0.888 50 20 IBGD Cn1nc(SCC(=O)NN=CC2(CN3CCOCC3)CCCCC2)c(=O)n(C)c1=O 751134767 PKUYFTYBTXSUSB-UHFFFAOYSA-N 438.554 -0.044 50 20 IBGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1F 764276177 ZFXSECOVUSYIJR-UHFFFAOYSA-N 429.368 -0.020 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 764401292 VHUKJPWAAVRUOO-LBPRGKRZSA-N 442.494 -0.427 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 768993046 KSWNUYQVHKFDMS-UHFFFAOYSA-N 444.495 -0.676 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NCc2ccco2)c1 788022649 DDFYYDKSTPOJQN-CYBMUJFWSA-N 441.487 -0.046 50 20 IBGD Cc1ccn(C[C@](C)(O)C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(=O)c1 790919812 SGNDINGOYPIQDI-HNNXBMFYSA-N 436.328 -0.266 50 20 IBGD CN(C)c1cccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 792238452 UIILXRBYHNGBGH-UHFFFAOYSA-N 427.465 -0.720 50 20 IBGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814330026 IPEHHSCMRYUPIT-ZIAGYGMSSA-N 435.510 -0.072 50 20 IBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 816829723 BVRWDFJAQHNXSF-UHFFFAOYSA-N 434.482 -0.621 50 20 IBGD COc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028440 LQXVKNSWPCXDIQ-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1779029451 SDZIGMALIILMCN-OAQYLSRUSA-N 441.492 -0.587 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780357476 MMJLQUFWRFGOCB-FQEVSTJZSA-N 435.529 -0.150 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1786407420 WWNFCDZITBETJR-KKUMJFAQSA-N 436.347 -0.962 50 20 IBGD O=C(OCCO)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792981229 RKLRLVUSGNVWNK-RMHZUWNSSA-N 440.880 -0.361 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ncn1)C2 1797751504 BBGHDHIAPHJBLE-CULMDFNYSA-N 445.867 -0.355 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1)C2 1797751698 PPKKBAIHLFHHQX-FVCICTRLSA-N 428.424 -0.264 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cc(=O)nc2sccn12 1798412278 RGDBDCICJCIFTB-QPPBUOOMSA-N 426.882 -0.441 50 20 IBGD C[C@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801008912 HNBPJXQHPFICAX-OPOADAIRSA-N 446.552 -0.046 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1813068463 MVMKMVGEJRTWBU-FIKGOQFSSA-N 444.536 -0.013 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815669499 KHICBZIULLPNMR-UONOGXRCSA-N 447.945 -0.268 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1)[C@H](O)CCl 1833308869 BXGDIEFUVCIRNO-GOSISDBHSA-N 430.977 -0.120 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835845763 VTROXSUGZKBHFF-ZWKOTPCHSA-N 446.976 -0.037 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938111 MBVOIFPPEQDKNS-HRAATJIYSA-N 434.298 -0.750 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1835939923 OLJZXNWKTXBQLK-NXWNEQKCSA-N 444.293 -0.996 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838792258 XDAICZJPNTXMKJ-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199915 ZMLGHZZUAHCJJZ-HIFRSBDPSA-N 427.267 -0.204 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182271 CGCPBDOEXAKMSC-QKYXUNIQSA-N 428.530 -0.777 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)C1 1843670252 YLCDOIIDTGQNGV-UHFFFAOYSA-N 434.261 -0.134 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)C[C@@H](C)O1 726716719 GATSLANFAQWTCW-OKILXGFUSA-N 438.506 -0.132 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 730827357 IUTAQSOQQONWCM-UHFFFAOYSA-N 443.464 -0.397 50 20 IBGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c2ccccc2c1=O 750660023 RNFPLNQGGLBCCA-UHFFFAOYSA-N 447.477 -0.802 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 758046352 HOVCXPZMCRMZCQ-VIFPVBQESA-N 447.470 -0.347 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3O)cnc2n(C)c1=O 764127303 UNFKTMXBWLOOLY-UHFFFAOYSA-N 446.807 -0.609 50 20 IBGD COc1nccnc1NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 764482025 QZPJPLBINJUCIY-CYBMUJFWSA-N 443.507 -0.290 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-n2cncn2)nc1 766635706 DEZRMLIAFQYQLW-UHFFFAOYSA-N 434.460 -0.119 50 20 IBGD Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 767707472 MABAGDOBENVLFS-OAHLLOKOSA-N 449.441 -0.213 50 20 IBGD CC[C@@H](C)[C@H](NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F 772538908 SIVOIPHLOLWFIE-KCJUWKMLSA-N 433.391 -0.259 50 20 IBGD COc1ccnc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 773730951 PCNDAWAWZCBGFL-HNNXBMFYSA-N 442.432 -0.419 50 20 IBGD CNS(=O)(=O)NCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 774331126 UUAWMFKLZPUYTL-UHFFFAOYSA-N 444.477 -0.797 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)NCCc2ccc(F)cc2)c(=O)n(C)c1=O 789178268 NRUJSBGPPKNZAO-UHFFFAOYSA-N 426.499 -0.552 50 20 IBGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1 800623846 YRWCSWRXICWMKH-UHFFFAOYSA-N 441.444 -0.283 50 20 IBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(OC)c1 915141089 BWHGPKWZHWSSMD-WFASDCNBSA-N 439.490 -0.110 50 20 IBGD CC(C)n1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030857 YDOBTTKUBYCAFK-HXUWFJFHSA-N 442.480 -0.385 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371131 GWXJZHDXRVWCIH-NZCGUCNHSA-N 446.508 -0.676 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781812792 JYFRJBZXIWKEPZ-NRFANRHFSA-N 442.233 -0.760 50 20 IBGD Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)CCBr)CCO3)C2)c(=O)nc1O 1785353006 KISHGLQWEMYETD-KRWDZBQOSA-N 443.298 -0.128 50 20 IBGD COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1788893586 ZHTOWZFFKORGRR-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291107 ZEFWCQPJLIPSRH-ULQDDVLXSA-N 438.525 -0.152 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)nc1 1798041349 FMJGLZBCWPUCTC-FVCICTRLSA-N 428.424 -0.264 50 20 IBGD C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800190963 SDJKFGCLETXPPY-RMYQPGKMSA-N 437.305 -0.157 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801007254 YQUCFRFYRDJEAQ-AOVDCTNGSA-N 425.251 -0.118 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ncn(C)n2)[C@H]1c1cccnc1 1805326695 FOWFPMYSPYMGEE-MAUKXSAKSA-N 428.497 -0.097 50 20 IBGD Cn1nncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360345 AQWGLXCNFHBRDP-APWZRJJASA-N 434.265 -0.477 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnn1 1807372173 BKTFQAPZVOEHNX-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808217967 OAMKVVKZCBQGHS-SNRMKQJTSA-N 435.488 -0.072 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cn3cnnn3)C2)CC1 1810154017 HMPYEFBVRYZBCX-UHFFFAOYSA-N 427.469 -0.783 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657725 WFISCYLHNHIMBA-AYZHRIAMSA-N 435.289 -0.027 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832182979 CATAXVUHQZZRGU-KRWDZBQOSA-N 448.178 -0.663 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)O1 1836611090 WCFLZRBAQAAMRY-QINHECLXSA-N 426.514 -0.617 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185074 HLQNRWPRJZGSKY-UZLBHIALSA-N 441.529 -0.383 50 20 IBGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 726277725 QFPUSAQTIVRFLT-INIZCTEOSA-N 443.508 -0.180 50 20 IBGD CN(C)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 728325867 UOPOMVLYPFJDQQ-MRXNPFEDSA-N 434.449 -0.089 50 20 IBGD COc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 728436021 JTJKDZUGQDDFJT-CYBMUJFWSA-N 442.494 -0.679 50 20 IBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)C[C@@H](C)O1 728956913 AZJWSUWYFGBJOM-GASCZTMLSA-N 440.526 -0.664 50 20 IBGD CCc1nncn1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745911105 FECNPHJKJVFTDF-UHFFFAOYSA-N 437.530 -0.502 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)cc1F 755967457 LXQRGCYEPTYZLV-ZETCQYMHSA-N 443.862 -0.055 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 756495443 RESDHXQIANWGMG-WCQYABFASA-N 448.523 -0.270 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCc2c[nH]nc2C1 758905236 BNVSFUVVYLEYPY-HNNXBMFYSA-N 448.505 -0.068 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760442651 NMVDEHOVGYJDMU-NSHDSACASA-N 446.530 -0.234 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C1CC1 763563117 PGFVROXZDDUHMP-UHFFFAOYSA-N 440.478 -0.398 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 764225582 APWCHJXCXGUETP-FZMZJTMJSA-N 428.467 -0.732 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)cc1 766641896 NWIIDQNIQPCFFA-GOSISDBHSA-N 437.566 -0.316 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H](C)O1 767824092 WGTZUQCAVGDSBJ-IAGOWNOFSA-N 447.540 -0.448 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 788165337 YOCMKKBLMQHWAI-UHFFFAOYSA-N 436.469 -0.073 50 20 IBGD C[C@]1(CCCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)NC(=O)NC1=O 801432598 QKKMHWDCPNBJNX-ORAYPTAESA-N 434.405 -0.715 50 20 IBGD O=C1NCc2cc(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1778724088 XLVHUTZMOXAFHO-QHCPKHFHSA-N 449.272 -0.633 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1778780639 HHBXSFRTJQVBCX-HSMVNMDESA-N 436.303 -0.088 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1784445534 LFWXGJNFYODXQE-IERDGZPVSA-N 426.282 -0.424 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978642 GBAQYUMTMIHGMQ-MRXNPFEDSA-N 444.341 -0.081 50 20 IBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnn1 1815348398 MGGRQGLHYIXZFD-FZMZJTMJSA-N 440.294 -0.099 50 20 IBGD CN[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)C(=O)O 1822414295 RKJHAMHTXVRSNM-KGLIPLIRSA-N 437.501 -0.163 50 20 IBGD N=C1NCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826871249 FMIWDSHGZLBALZ-LJQANCHMSA-N 441.341 -0.560 50 20 IBGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1cccs1 1830726873 UYUTWLGVSZKPLL-SCLBCKFNSA-N 445.925 -0.466 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnsn1 1833977793 YTZGQPIVMYRNIQ-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1835344757 SLSNCTHVTVRHEX-HXUWFJFHSA-N 428.449 -0.941 50 20 IBGD Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935078 FOVWCUOWYPXAAQ-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836908091 RCQXSLWHDCQMGB-HNNXBMFYSA-N 445.325 -0.510 50 20 IBGD Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1837380763 XORQGXCNGSUEPK-UHFFFAOYSA-N 441.297 -0.579 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc2nccn12 1839547137 XKIYMSRVXOCBDM-BEFAXECRSA-N 437.884 -0.293 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C[C@](C)(O)CC(=O)O)C1 1846380707 YNIMWXREASDWKB-MEGCXXLRSA-N 433.465 -0.060 50 20 IBGD CC(C)Oc1ncccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755947558 LJYXIELDEIQAAA-UHFFFAOYSA-N 430.425 -0.531 50 20 IBGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c(OC)c1 761272997 QVIPPNUKOIKUJY-CYBMUJFWSA-N 437.496 -0.428 50 20 IBGD C[C@@H](CC(=O)NNC(=O)CNC(=O)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 763821078 SGPPOPIQFZDNLW-LBPRGKRZSA-N 444.473 -0.524 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1OCc1ccccc1 764229493 ALWHRNUZMMXJKA-LBPRGKRZSA-N 435.462 -0.316 50 20 IBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 786261892 YEQPMMLSMFKJNJ-UHFFFAOYSA-N 443.507 -0.550 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 797004756 MSESHBVEDAAEJF-SECBINFHSA-N 426.430 -0.750 50 20 IBGD O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NNC(=O)C(=O)Nc1ccccn1 799672225 QDWYNRSKSSPLTJ-UHFFFAOYSA-N 442.404 -0.393 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799835199 NDHIUVHREYOPFY-ZETCQYMHSA-N 437.356 -0.520 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)c2)CCN1 812979171 BMPZNBUDVABEIS-UHFFFAOYSA-N 443.435 -0.078 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)NC(C)C)o1 915139928 MJXBLFZDXBPZDY-LLVKDONJSA-N 444.466 -0.719 50 20 IBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1325389180 FPSGWRUWSNOGFA-UHFFFAOYSA-N 432.506 -0.009 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032582 UTLDKKLLXKCDCF-VBKZILBWSA-N 442.480 -0.944 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779294351 PFNYMJDCURXVPL-WMLDXEAASA-N 435.619 -0.004 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1791290843 PIECKMRGUUBDBF-YDHLFZDLSA-N 436.469 -0.111 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)[C@H](F)Br 1799346734 ZAJXICGXTQEGGA-VVJJBPBLSA-N 443.233 -0.689 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)[C@H](O)CCl 1803138303 IZBDLDWUEGZODU-GZBFAFLISA-N 434.817 -0.588 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1819797727 YTIGJUHIJSFVMS-VIFPVBQESA-N 442.465 -0.946 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737254 CKDSUFLJGAXOTJ-UZLBHIALSA-N 437.880 -0.007 50 20 IBGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833817209 MSIPWSLOLYFXIQ-FQEVSTJZSA-N 434.497 -0.772 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1837783593 KTPPTRHADFAOTA-QGZVFWFLSA-N 437.541 -0.363 50 20 IBGD Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838392597 BQFXVXKUBMRRFU-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839152290 VCZUZICGJYSJOX-IRXDYDNUSA-N 436.340 -0.481 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839964190 JSSUGSNWJLMHBT-IUODEOHRSA-N 431.291 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1840182546 FWNQBIDOWJHKBN-UZLBHIALSA-N 426.514 -0.615 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840550171 GVMFPVSPSDVURQ-JSGCOSHPSA-N 445.307 -0.432 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844265437 BPYZIIZSRFCSBJ-UHFFFAOYSA-N 448.530 -0.638 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2)NC(=O)NCc1ccccc1 1845038988 REHGUYYRJHIPFL-UHFFFAOYSA-N 441.492 -0.588 50 20 IBGD COCCOCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 728752463 MLCNQIAPMCGFGP-UHFFFAOYSA-N 444.510 -0.295 50 20 IBGD C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 745699485 GBTWMOGMJNBNDB-PEYYIBSZSA-N 437.449 -0.571 50 20 IBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cccc3ccccc23)c[nH]1 746109090 KOMOHAHTKQITJY-UHFFFAOYSA-N 429.458 -0.065 50 20 IBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 748247913 ZYQQKLOPVCOYCI-UHFFFAOYSA-N 432.437 -0.353 50 20 IBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 768280398 ZUZRMKDJYQCNBX-UHFFFAOYSA-N 426.451 -0.084 50 20 IBGD COc1cc(Br)c(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)cc1C(=O)O 772864265 GMOVHJXAPCYGSC-JTQLQIEISA-N 439.240 -0.119 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 773545784 IKRXFFXFMNDXQV-GFCCVEGCSA-N 448.505 -0.090 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)[C@@H](C)O)cc1 779522137 SENZUQCMWOAEJN-MFKMUULPSA-N 435.466 -0.452 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 795151200 HWUQRAUNZKMDRH-OMNBBPDLSA-N 436.490 -0.068 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)c2)CCN1 812979606 CIZSDVISWDJAJO-UHFFFAOYSA-N 439.472 -0.079 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 825776347 GTJGHFXYHDJLDC-ZDUSSCGKSA-N 437.478 -0.580 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 919888800 GWPMEIKKMJFWII-CYBMUJFWSA-N 432.524 -0.559 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779037313 VLFKYKXXQYCYPI-WBMJQRKESA-N 444.261 -0.181 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncn1)C2 1779373163 JGSCSCWMYRSVAG-DYESRHJHSA-N 439.476 -0.084 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccncc1O 1779616582 OVXJDMHMOUHBPF-DENIHFKCSA-N 439.277 -0.092 50 20 IBGD CC(C)N(C)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782736106 AIENIXNIACLSOD-DENIHFKCSA-N 431.342 -0.166 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCSC(=N)N)[C@H]2C1 1786852421 LGIUGSPYURVDED-IHRRRGAJSA-N 428.559 -0.644 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)N1CCN(C)CC1 1796188576 WCZDTAYTLAAHAR-QLIIJSOBSA-N 428.342 -0.746 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc(Cl)s1 1798234324 NCIFOTQKTPKKSA-JJLQDPRZSA-N 435.698 -0.007 50 20 IBGD COC(=O)C12CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)(C1)C2 1801875879 PCTICNLPUMSIRB-JVBCMJPNSA-N 426.278 -0.039 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812717031 YMXRVAWDHQQZCL-JENIJYKNSA-N 442.944 -0.372 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813074830 TZFQWLDYWDAWNA-LDBYXDLTSA-N 444.536 -0.013 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819403608 WNQMJNIBZUJHPP-AWEZNQCLSA-N 439.436 -0.410 50 20 IBGD CC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1821944434 URCPRRVCDQDIQO-OAHLLOKOSA-N 428.453 -0.150 50 20 IBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828954585 ORFZXIXMIWMVTC-JXFKEZNVSA-N 438.912 -0.003 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnccn1 1834121780 LSTRQMACYSQSDB-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1834801362 BPTNEIFAUUGPAZ-UHFFFAOYSA-N 427.310 -0.469 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711523 KZSVMDGTXHRZIQ-KSSFIOAISA-N 430.578 -0.259 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150547 NAESGAPZVJUXFC-BBRMVZONSA-N 426.919 -0.869 50 20 IBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 746765294 OFSJWAIHIGPWRY-OAHLLOKOSA-N 438.510 -0.304 50 20 IBGD COc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)sc1S(N)(=O)=O 754188183 BKCZQQFLYQFTMM-UHFFFAOYSA-N 447.520 -0.228 50 20 IBGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 755932050 IZYZHQCAFJALAD-NSHDSACASA-N 433.512 -0.417 50 20 IBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 756840543 WOUMDNKKVVVAQA-UPJWGTAASA-N 442.498 -0.894 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 758043072 DYTAGMNRQPSUKF-GFCCVEGCSA-N 432.524 -0.828 50 20 IBGD C[C@@H](CNC(=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1)S(N)(=O)=O 763641082 CVBPUHHPAPSYJM-ZDUSSCGKSA-N 434.474 -0.327 50 20 IBGD COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764213239 UYMOQEUHVHMMAD-OAHLLOKOSA-N 433.465 -0.498 50 20 IBGD Cc1cccc(C)c1OCCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729908 ITQXIKDXUIJVII-UHFFFAOYSA-N 428.449 -0.333 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(F)cc1Cl 795313634 GATFYOZFMBHDAX-ZCFIWIBFSA-N 431.851 -0.487 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)n(C)c1=O 815827322 UWFNMMPYFRLCOB-SFHVURJKSA-N 434.840 -0.858 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 913025834 FBJQIRIMMFDLNC-UHFFFAOYSA-N 437.478 -0.213 50 20 IBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 916433152 CPRPZPUPGSKFED-UHFFFAOYSA-N 445.568 -0.307 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779814638 ZTQKDNWKICAJOF-IBGZPJMESA-N 430.657 -0.433 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785525064 ITLFKIKVAWQCNR-FQEVSTJZSA-N 426.514 -0.221 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788673268 CLVYDNZDTXUYKF-YXWQFLTLSA-N 442.900 -0.054 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191383 GBXVQOSZHNYKEJ-FCGDIQPGSA-N 446.265 -0.887 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2 1796443737 FQUQUGUCIIZRRY-GBQKICQVSA-N 427.465 -0.324 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2 1797754103 VQOPTWXOCJTRKK-KDXMCXIDSA-N 429.502 -0.237 50 20 IBGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1803645827 ZPFCWLHUHYVYMG-RYQLBKOJSA-N 438.249 -0.811 50 20 IBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1806810494 PGDOYUNNABZAOH-YVWKXTFCSA-N 436.277 -0.640 50 20 IBGD Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369256 DDOCZWZBZOYCIF-QFBILLFUSA-N 434.265 -0.477 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969263 MXGGOGDEOJXKMO-UHFFFAOYSA-N 436.339 -0.354 50 20 IBGD O=C(Cn1ccnc1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339734 NSNDPZODZMBTDW-AWEZNQCLSA-N 425.279 -0.055 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1830538018 TXMJVMWJTFBLMS-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)C(=O)C3CC3)CC2)CC1 1833280536 NIKYJAXZXMQUPJ-UHFFFAOYSA-N 442.520 -0.151 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833554499 GYARGSKXTUKGLI-LJQANCHMSA-N 449.656 -0.608 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457133 WNIALASHFBEENW-NRFANRHFSA-N 442.476 -0.295 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839866499 CQUPTOHDNVONBK-IIYDPXPESA-N 432.315 -0.390 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840088158 OMIANGFKDUNGFL-LPMFXHHGSA-N 449.932 -0.044 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840152434 HXZIFSRGKYANIN-KXBFYZLASA-N 444.916 -0.147 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840156830 VLDCGSCDKGUUTL-AUUYWEPGSA-N 427.885 -0.082 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1840183783 ZTEDAMHJAPDWLR-OAQYLSRUSA-N 434.493 -0.165 50 20 IBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1csc(N2CCOCC2)n1 12804520 ONJUUALALDAVNK-UHFFFAOYSA-N 436.494 -0.005 50 20 IBGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c2ccccc2c1=O 742473535 CLCUQXFDDDVGCB-RRCSTGOVSA-N 439.428 -0.660 50 20 IBGD CC(=O)Nc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755493932 GJZLESLPNDBGDI-UHFFFAOYSA-N 428.409 -0.755 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 762361559 PDGCCUQZNKQEBH-STQMWFEESA-N 441.531 -0.030 50 20 IBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cn1 763639014 ILMDLJTZCVLLGV-UHFFFAOYSA-N 442.354 -0.187 50 20 IBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763679796 DBOPVRQZHYYGRL-UHFFFAOYSA-N 428.373 -0.223 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 767462595 PSCUJRSYKLSTQO-QWRGUYRKSA-N 439.487 -0.512 50 20 IBGD COc1nn(C)cc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 789321135 CJSAYVFDGVMBBW-UHFFFAOYSA-N 438.466 -0.084 50 20 IBGD C=C(CO)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 791311337 JQVGETANWBSXNV-UHFFFAOYSA-N 426.433 -0.876 50 20 IBGD NC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 792570804 BMOTUFIQSMOLKO-UHFFFAOYSA-N 446.485 -0.190 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC 912947191 ZTNMYYSSZIOVQG-UONOGXRCSA-N 439.490 -0.110 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 915141100 CJTUEALINVSNID-KBPBESRZSA-N 429.520 -0.331 50 20 IBGD COCc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)CC2 1319253471 IJPKPHKGGJBHEJ-LLVKDONJSA-N 436.498 -0.323 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1C)C2 1782213372 MXICXYHFXKRPAY-GCKMJXCFSA-N 437.541 -0.506 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1783879480 VOQCBZYFHVBJKJ-FRQCXROJSA-N 441.916 -0.459 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793714358 WHEXJSAFCVCZGO-USGNIVHTSA-N 443.508 -0.606 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3ccnc13)C2)c1ccc(B(O)O)cc1 1795734236 KTXFYQOBTBUXAR-HGKCTWBKSA-N 434.261 -0.469 50 20 IBGD Cc1cc(C)n(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795737021 TXRMTWTTXXYAKT-RMFSNUHRSA-N 440.309 -0.527 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1797749867 ZTRHLAABQQGPON-DPIQGUFMSA-N 427.417 -0.845 50 20 IBGD COCc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1798509126 WPPCOEANWSEMMM-ZSBFGKGUSA-N 442.476 -0.323 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803666813 ZLVZDCNKCOHFDJ-ZTQAJYAQSA-N 438.293 -0.408 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833215288 VLVCDWZDBFUEHP-FQEVSTJZSA-N 448.281 -0.049 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834683654 DDOXRKQVGHZQLL-KKSFZXQISA-N 444.385 -0.075 50 20 IBGD CCOCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801533 UIQHVTMHQNTQMK-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD Cc1nscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935281 MKQFXILQKNSKOV-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1835939809 JCNZPSHYMXVIQH-HTAPYJJXSA-N 441.293 -0.501 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262409 LVEDJPYCGNAYOU-QGZVFWFLSA-N 444.282 -0.847 50 20 IBGD O=C(c1ccc(CO)c(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840781541 XOMNHQPXQHNWFE-QFBILLFUSA-N 430.860 -0.012 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 758031509 WHWNTQSZUIJDMF-SECBINFHSA-N 426.904 -0.907 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2C)n1 761704268 JABQHMFJELMEPM-UHFFFAOYSA-N 426.476 -0.046 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)c1=O 764136491 RDFFTHWHPBOBSH-UHFFFAOYSA-N 430.417 -0.251 50 20 IBGD C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764232108 RDARCSUPZKGSHX-WDEREUQCSA-N 427.508 -0.038 50 20 IBGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OCC(=O)O)c1 764812228 HPOCDUQEVZYKOW-UHFFFAOYSA-N 444.404 -0.944 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 794063301 KNMZENATEAUEMN-OMNBBPDLSA-N 430.417 -0.777 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 845927090 WSZSEXILNOOWEX-SYWGBEHUSA-N 442.384 -0.294 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778580117 UMBWXQICYXAHOE-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782175032 AVNCDTFZRPZPAB-YYAJDYIMSA-N 433.933 -0.095 50 20 IBGD CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786857916 KEOBGIBYYFOCRP-WDSOQIARSA-N 442.325 -0.758 50 20 IBGD C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789890570 UFTQYVGYXABTAI-WDSOQIARSA-N 444.293 -0.531 50 20 IBGD CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293190 MZTHWLKIOIWBKP-VGWMRTNUSA-N 430.571 -0.547 50 20 IBGD CC(C)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795737310 RHYBHZLKGVRZCN-CEQLMSFQSA-N 443.353 -0.310 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1)C2)c1cccc(B(O)O)c1 1795737507 PCZHAZOKAOXLIL-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1800973559 FLIBGHNTFXITEP-UMPJEAMMSA-N 426.901 -0.022 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1807371060 OYUCZQRKGQHQDI-QRFRQXIXSA-N 436.277 -0.640 50 20 IBGD O=C(Cc1cnc2ccccn12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719956 PMCWYIAYAATABY-JXFKEZNVSA-N 436.896 -0.067 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831131004 TYZMVEDFEGGIGP-HXUWFJFHSA-N 426.514 -0.569 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831345469 KKNMEDFGMPKZQA-CZUORRHYSA-N 426.919 -0.869 50 20 IBGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CCC1=O 1832375789 XWFXMKMFZKHBFE-LJQANCHMSA-N 440.573 -0.098 50 20 IBGD CC[C@@H](NC)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834791077 UMUPBEOHTMRIPA-HXUWFJFHSA-N 430.358 -0.450 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718651 YBOFOFUONDBQIM-DLBZAZTESA-N 433.933 -0.264 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839143611 BTWWCYZBLKCUMW-KZULUSFZSA-N 438.872 -0.495 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C1(O)CCC1 1840182693 IOXILMNDPXPTII-OXJNMPFZSA-N 440.541 -0.633 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccn1 1840185950 UOSHQDZLMOYRQD-UZLBHIALSA-N 436.513 -0.727 50 20 IBGD Cc1ccc(C(=O)NCC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1847063389 GTNAJVAPKRXWCM-UHFFFAOYSA-N 435.289 -0.078 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 21039454 CBSVQOYCJWAXAZ-UHFFFAOYSA-N 445.457 -0.077 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)cc1 731051727 RCLPVUQHLHYHDY-UHFFFAOYSA-N 429.524 -0.024 50 20 IBGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(OCC(=O)O)c1 734365837 UYQGNJZNNZPYKM-UHFFFAOYSA-N 437.434 -0.807 50 20 IBGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756674219 MITIKZHVFGZZDH-LLVKDONJSA-N 448.523 -0.077 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccn(C)c2=O)cc1 763739126 ZWDWZDHNYZPEJL-UHFFFAOYSA-N 435.462 -0.900 50 20 IBGD CCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc21 764227272 MKTXNRQLMAJWHY-LLVKDONJSA-N 439.494 -0.601 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3n2CC#N)n(C)c1=O 766633300 AUOVCKCUATWVRP-UHFFFAOYSA-N 434.416 -0.627 50 20 IBGD O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NNC(=O)C(=O)NC1CC1 766837280 GIZWZHZRKBMYJP-UHFFFAOYSA-N 438.384 -0.032 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H](Br)C(C)(C)C)n(C)c1=O 768275002 IHMDKFLLHURDHJ-SNVBAGLBSA-N 429.275 -0.609 50 20 IBGD COC(=O)c1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 806977065 UGKIDPCBKLQMCC-VIFPVBQESA-N 431.854 -0.044 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1337790013 CPEAXEWFMQYEPX-NSHDSACASA-N 435.553 -0.375 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778578939 CXKDGYGSNCYALS-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979458 LDBIYNICCSGCAM-BPUTZDHNSA-N 428.254 -0.848 50 20 IBGD CCn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc1C 1786984013 JYXUVTZEMXBDAC-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787423944 QLXZUZWRVOWMGD-YTFOTSKYSA-N 447.964 -0.616 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1791291239 PBCGQPMBPGIUKP-AVGNSLFASA-N 434.440 -0.551 50 20 IBGD O=C(COC1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792788849 SHZVIEQDKOFQFG-UPHUGPLXSA-N 430.310 -0.081 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccc(B(O)O)cc1 1795734682 WEACHBLMXAGAQR-WSOVOLMPSA-N 425.250 -0.718 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccnn13)C2)c1cccc(B(O)O)c1 1795741324 UWZCAFQDSLKHCW-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1800364518 ZOAPHEJIOUVNCY-YWVIFJGQSA-N 445.476 -0.768 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807119964 XNEXUAXPTLPKPX-JXFKEZNVSA-N 444.540 -0.700 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369884 XOFIYGWBEOTLCO-SJLPKXTDSA-N 434.265 -0.477 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1807373016 MBPVJOZKEHQMSE-ABSDTBQOSA-N 436.277 -0.783 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1813068466 MVMKMVGEJRTWBU-XGHQBKJUSA-N 444.536 -0.013 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075006 WRJKLZZTIWOOIB-UTKZUKDTSA-N 432.525 -0.013 50 20 IBGD CC[C@H](NC)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834790679 OHOAETLZTOCQPF-FQEVSTJZSA-N 430.358 -0.450 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933597 CZAMPCKZHYGVSN-JTSKRJEESA-N 446.309 -0.747 50 20 IBGD Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183713 VORNLUDVUOIYEF-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845070891 IUZIAZNWPVUHIS-FUHWJXTLSA-N 425.294 -0.416 50 20 IBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1 16785686 AHXSPHGXDSYHKQ-CQSZACIVSA-N 445.519 -0.788 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2CCCS2(=O)=O)nc1 726276733 MBUBMVOEMILNFN-UHFFFAOYSA-N 434.544 -0.180 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)Cc2ccc(O)cc2)c1 726869602 HXKISRTVOLTENY-UHFFFAOYSA-N 434.474 -0.238 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 728313220 FUUQIXKWEILQQJ-UHFFFAOYSA-N 440.503 -0.448 50 20 IBGD COCCN1CC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 739034650 IYELRQLWDHMIFD-HNNXBMFYSA-N 427.527 -0.333 50 20 IBGD COCCOC[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745863873 JMVQSVIYECEZMK-CQSZACIVSA-N 430.531 -0.305 50 20 IBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 748554908 JTJAONHDUBPMFH-UHFFFAOYSA-N 431.474 -0.127 50 20 IBGD CC(=O)Nc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 755616854 YQIZHOCXWUYVCR-UHFFFAOYSA-N 446.399 -0.616 50 20 IBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cnc2n(C)c1=O 755847207 RXXYXDOOUCJBHT-UHFFFAOYSA-N 436.392 -0.926 50 20 IBGD COc1ccc(C(=O)NC2=S=C(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C=C2)cc1 758053905 MJHNIQQGKPVHFO-JTQLQIEISA-N 440.503 -0.885 50 20 IBGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 763904142 XIGAHSVZKAXGHB-SECBINFHSA-N 425.492 -0.327 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 764229894 DHTMJOLKUAJWCW-GFCCVEGCSA-N 447.473 -0.038 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](NC(=O)C3CC3)[C@H](C)O)CC2)cc1 779531646 CSKLTLZLHFJZLY-OXJNMPFZSA-N 431.537 -0.464 50 20 IBGD COc1cc2c(cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1)OCC(=O)N2 797429857 CGMHCTILTBRGBN-UHFFFAOYSA-N 440.459 -0.173 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1 816817470 CJCMCCLFLBVLNT-GFCCVEGCSA-N 431.453 -0.082 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nc1 920239217 XFAFTVSEKYQXRW-LBPRGKRZSA-N 434.544 -0.182 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 1318992674 NQICUQMVEZPCPZ-SNVBAGLBSA-N 435.911 -0.070 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036791 DUQMTVFDVHPXLY-NRFANRHFSA-N 445.476 -0.362 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ncn3)C[C@@H]21)c1cccc(B(O)O)c1 1786983975 IQJJEVCREOIZJB-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984368 IVBGORGRSJAPRI-ZIBCJSCZSA-N 438.289 -0.307 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986587 NBWOWERSGLEFJV-LQJIQPLVSA-N 440.309 -0.508 50 20 IBGD O=C(COc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795196603 KGYIMLBSVBBXIG-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc1 1795737391 YNJFGZMBMOLITN-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccccn12 1796953540 IUCFZPLCJNQNIR-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n(C)n1 1798166719 SXANXGATAMCBHH-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H](F)Br 1799346647 UUYROGZRHWJQRE-XCCSTKFXSA-N 429.051 -0.740 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807119966 XNEXUAXPTLPKPX-OXQOHEQNSA-N 444.540 -0.700 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1ccnn1 1812395877 KNUDNAYUMUGBTE-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736225 RVUUKEMDYFQYJV-RDTXWAMCSA-N 428.873 -0.829 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832684468 CYASTTZYZWNTDA-LXIYXOSZSA-N 430.889 -0.552 50 20 IBGD CO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738332 XDBVWQLRFJLPFK-AWEZNQCLSA-N 432.525 -0.095 50 20 IBGD Cc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933706 ANIIZQGGNVOPRG-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1836669212 MKXZMYDZAKVGBH-GOSISDBHSA-N 447.374 -0.525 50 20 IBGD COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456657 PHAVXLHGCVHTHS-JLTOFOAXSA-N 435.481 -0.962 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839956212 IRWLVFSTXQZEQE-HLIPFELVSA-N 426.897 -0.354 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839963944 AVVFJCJLRSZXQI-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840132119 AHISFGHHIMIMFV-FOIQADDNSA-N 426.514 -0.569 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182308 GOHZFVZLCDYQOO-JXFKEZNVSA-N 426.514 -0.593 50 20 IBGD Cc1c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cn2[nH]cnc(=O)c12 1844655990 POBYPJBCHRMVET-UHFFFAOYSA-N 435.249 -0.858 50 20 IBGD NC(=O)c1cccnc1N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 726597430 OGTDRGZYRSVCAQ-UHFFFAOYSA-N 427.421 -0.328 50 20 IBGD C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276350 DAGAUGGIWOBLBR-NKWVEPMBSA-N 441.329 -0.286 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 734241860 LGRVBBPLDGUEDL-UHFFFAOYSA-N 428.471 -0.661 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 764231371 OVODFJQJJVAJNS-SNVBAGLBSA-N 447.464 -0.021 50 20 IBGD O=C(O)c1cc(Br)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 769627340 ULGQMPQFHRWZPO-YFKPBYRVSA-N 447.310 -0.047 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)COc2ccccc2O)[C@@H](C)O)cc1 779512696 AYWMFRPIAWDMJI-FZKQIMNGSA-N 437.474 -0.045 50 20 IBGD CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784004622 IAESZSJYMITRLM-UHFFFAOYSA-N 446.489 -0.236 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 792853076 CINGZYDUTMBJNJ-GJZGRUSLSA-N 447.583 -0.080 50 20 IBGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 795526943 DYCKILROBCDUSZ-QWHCGFSZSA-N 444.514 -0.154 50 20 IBGD CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NNC(=O)COC)ccc21 815569454 UPEDYIVIKVAXRL-UHFFFAOYSA-N 428.348 -0.580 50 20 IBGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779594 MSTDOBFMJZCFHB-CVZTXRPJSA-N 437.478 -0.236 50 20 IBGD CN(C)Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1 1254721225 NCOJYSNGUWGAFW-UHFFFAOYSA-N 437.478 -0.168 50 20 IBGD Cc1cnc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)cnn2c1 1778523252 BYHSABKAYLURJM-QFIPXVFZSA-N 449.276 -0.525 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028732 KGNLIUXNWMGENC-DYESRHJHSA-N 430.509 -0.387 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1779030984 LPRVBNWPMLNHSA-FQEVSTJZSA-N 426.433 -0.457 50 20 IBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1ccccc1=O 1779265434 PPDBIMJERKNFJP-AOMKIAJQSA-N 439.277 -0.767 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1783187140 ZDNOZSPOLXJZEB-RXULLKCLSA-N 432.481 -0.524 50 20 IBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795113025 VKYTXYKLOWRCGU-YWVIFJGQSA-N 425.088 -0.645 50 20 IBGD O=Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1795741985 YXONWQVDVIYWKY-ZSBFGKGUSA-N 428.275 -0.243 50 20 IBGD CC(C)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C(C)C 1801012939 GPBABQISSKTAPH-JSJNYSNDSA-N 425.574 -0.028 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1803340525 JXWNSVWBLJCLNA-JXFKEZNVSA-N 446.508 -0.087 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1828925891 SNVYHVKLYUSJPT-MRXNPFEDSA-N 431.497 -0.413 50 20 IBGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834517252 ITABZUGKVIRFQJ-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD COCCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800655 VWLLAVFMJIEPKH-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cnccc4C(=O)NN)CC3)CC2)COC1 1835734351 CBMXJIKXXCRYML-UHFFFAOYSA-N 444.536 -0.093 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934067 LSMGDJQXKFIMGV-SIKLNZKXSA-N 446.309 -0.604 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839785422 QQLLSAKBADEWRL-GRDNDAEWSA-N 438.930 -0.726 50 20 IBGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183728 WEHVXCXPPYHVFE-IBGZPJMESA-N 440.476 -0.700 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264199 NLXDBNFXNJYVCB-PXAZEXFGSA-N 444.282 -0.849 50 20 IBGD O=C(NCCS(=O)(=O)NCC1CCC1)NNC(=O)c1csc(N2CCOCC2)n1 731679223 BNZFZGQGKZTQTL-UHFFFAOYSA-N 446.555 -0.357 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 735584666 XLHDSGNVCVTPCD-OAHLLOKOSA-N 449.493 -0.580 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@H]1CN(Cc2ccccc2)CCO1 735612964 SZWPXHLYFHNCRT-MRXNPFEDSA-N 446.533 -0.036 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COCCO2)cc1OCC 744648960 JJIYFITVXBACTL-OAHLLOKOSA-N 431.467 -0.675 50 20 IBGD CS(=O)(=O)N1CCN(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 759636346 JRJRODLYCFFDCZ-UHFFFAOYSA-N 431.540 -0.852 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 764231050 LXCIDLXRNPECSP-LLVKDONJSA-N 429.474 -0.160 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOc2cccc(Cl)c2)n(C)c1=O 765724978 MMDCTYPQUKTOCY-UHFFFAOYSA-N 434.840 -0.296 50 20 IBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 766958928 XSESOBTVFKPEHW-UHFFFAOYSA-N 445.457 -0.036 50 20 IBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cn1 781986364 ZFQBUEGYBIFOCS-JSGCOSHPSA-N 427.870 -0.341 50 20 IBGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003758 NURUTSOTTVKROM-UHFFFAOYSA-N 447.473 -0.221 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 793599368 MMCKUVOXRDGTHU-IBGZPJMESA-N 428.449 -0.360 50 20 IBGD C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CS2 800347047 RSOQXXIANDKRNN-KLRAXDNASA-N 435.458 -0.029 50 20 IBGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)c1csc(N2CCOCC2)n1 809980410 NEWHVROPDQUDMZ-UHFFFAOYSA-N 426.480 -0.886 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 817055228 RZISPCRUAVMJIA-HNNXBMFYSA-N 439.538 -0.439 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 919887153 ZRHBONDHYMOHEY-ZFWWWQNUSA-N 446.551 -0.185 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNc1nccn(C)c1=O)n2C 1318919317 MDTKGMRQECJFOB-UHFFFAOYSA-N 433.494 -0.007 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778656909 QREYNJQDWMDPEB-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1779031750 XGIPRDBCCGYBFH-LAUBAEHRSA-N 439.476 -0.776 50 20 IBGD CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781787977 VKOLZFXBWFTEGR-KPFBPEDLSA-N 446.508 -0.663 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1787508573 ALHHSEKKEOBGSE-PGADULOUSA-N 444.492 -0.621 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)no1 1791534892 DFAMMFYRINRFJS-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793522465 JXIDMWCMVYUYKG-HGKCTWBKSA-N 426.282 -0.766 50 20 IBGD O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795836607 BGWAMAWGHIFLAS-JLVBRIDZSA-N 442.306 -0.848 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc[nH]1)C2 1797750845 VQAMVRMJVJNRPB-HBCWATKFSA-N 426.477 -0.151 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c3c1CCC3)C2 1801011649 UJVAJMSQLNPADG-HBCWATKFSA-N 432.525 -0.515 50 20 IBGD C[C@@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012979 ITXLMZHTQGXPOT-IHSNIMORSA-N 432.525 -0.155 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360377 KMADHQWHAMCMIR-LPHOPBHVSA-N 447.260 -0.110 50 20 IBGD CC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403926 NXUJRLHSXQZJMA-HNNXBMFYSA-N 428.453 -0.150 50 20 IBGD CN[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1826940858 LICJWBWFBNNGPI-RBUKOAKNSA-N 445.325 -0.338 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829918317 BZUHNHIWXPXWQW-LAUBAEHRSA-N 447.492 -0.676 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837396258 AGDAWFKGDPXYIQ-GCJKJVERSA-N 446.309 -0.991 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837460301 ADRGXHGYVHIPBF-OAQYLSRUSA-N 445.476 -0.551 50 20 IBGD O=C(CN1CCOC1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198234 AESBFLWIQJRQLB-SWLSCSKDSA-N 438.250 -0.415 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840153430 OJWNWDYLKBESOB-IFXJQAMLSA-N 442.900 -0.011 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840181568 DGLZWUYFTYUUJX-KKXDTOCCSA-N 436.889 -0.688 50 20 IBGD O=C([C@@H]1ON=C(c2ccccc2)O1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011432 CQWHQZJSCCGUNE-NRFANRHFSA-N 435.245 -0.082 50 20 IBGD O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)NNC(=O)c1cnn[nH]1 729457558 IUUOWLXCSJCNHT-UHFFFAOYSA-N 445.255 -0.618 50 20 IBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440275 GJJHRQQRAJGSSG-WLHCIVTGSA-N 440.412 -0.587 50 20 IBGD O=C(COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)C1CC1)NNC(=O)C1CC1 762931251 IRKDXNPWEYCHBP-UHFFFAOYSA-N 426.433 -0.021 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC)c2)cc1 763860615 JCNGNVUPPMFWKZ-GFCCVEGCSA-N 432.437 -0.419 50 20 IBGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 764002476 MUCREPIFNKNXKL-MRVPVSSYSA-N 434.268 -0.022 50 20 IBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 766275311 HYICMOOKSHWHTK-CABCVRRESA-N 425.511 -0.139 50 20 IBGD CN(C)C(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 772577511 HMHODFFOFKGKKP-NSHDSACASA-N 439.416 -0.080 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1OC 789375861 XFXBAZFFOYRQDX-OAHLLOKOSA-N 440.522 -0.035 50 20 IBGD COC(C)(C)c1nc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 810593146 TXQPYCBSSXQODR-UHFFFAOYSA-N 449.493 -0.459 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)n(C)c1=O 815827092 LTHNJDGPFSAVFW-UHFFFAOYSA-N 439.432 -0.875 50 20 IBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212908 ZFZDAEGKUUJQIC-SNVBAGLBSA-N 438.915 -0.474 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1779029437 SDZIGMALIILMCN-NRFANRHFSA-N 441.492 -0.587 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785151867 ALOVXWMKIYIZKQ-YHZJGRIHSA-N 435.308 -0.200 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979889 XDFFWSPCOPSEMN-WDSOQIARSA-N 449.276 -0.684 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796283760 XYYRIGNVHXXZFQ-HBCWATKFSA-N 447.492 -0.571 50 20 IBGD Cc1cnn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797750984 ZHNIAKKGYPJZBP-ZSBFGKGUSA-N 427.465 -0.907 50 20 IBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1798122126 CDBMJTWKNLIWTO-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CCC(N)=O)[C@@H]1c1cccnc1 1810305029 IOXPQGJBWONDLM-IFXJQAMLSA-N 439.476 -0.335 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1813034461 MISHRXSBHJRTJX-ZIFCJYIRSA-N 442.944 -0.372 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826937096 PXTIKCJLMBRYPF-RTBURBONSA-N 444.341 -0.808 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829916180 VJJMZNNXDXSQQB-NQIIRXRSSA-N 432.282 -0.995 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833481935 RPTDIKCXIQQXPR-BBRMVZONSA-N 437.990 -0.162 50 20 IBGD CS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822507 RLIUPJREIIUSDQ-AWEZNQCLSA-N 427.317 -0.728 50 20 IBGD CC1=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CCO1 1835935993 ZDYKAWWRSKRMTA-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199916 ZMLGHZZUAHCJJZ-UKRRQHHQSA-N 427.267 -0.204 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840036066 DGNQKGYYOJGMEW-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD Cn1ncc(Br)c1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013881 ZDLWKAYRLKDZIC-UHFFFAOYSA-N 447.098 -0.007 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)CN1C1CCCC1 1848038678 DPHZEVLOISMIPH-VDGAXYAQSA-N 439.321 -0.027 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 729276381 DIWXFGQWMZSSPJ-ZJUUUORDSA-N 447.311 -0.113 50 20 IBGD COCCNS(=O)(=O)c1cccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 735587126 RXUXFWFGGUJBCP-INIZCTEOSA-N 434.540 -0.508 50 20 IBGD COCC(=O)N[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)C(C)C 741207831 TTXMOWVETYXFPQ-KRWDZBQOSA-N 428.511 -0.450 50 20 IBGD COc1cccc(C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)n2nnnc2C)c1 751200943 CPHHMTHVBXISHN-OAHLLOKOSA-N 427.421 -0.056 50 20 IBGD COCCOCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 754741919 TXUDARMDSXEQBV-UHFFFAOYSA-N 435.524 -0.302 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 764400414 PVBPCVFZAALPIK-LBPRGKRZSA-N 442.494 -0.975 50 20 IBGD CN(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C(N)=O 778419049 ZEBOZKZNEOOSNG-UHFFFAOYSA-N 427.483 -0.801 50 20 IBGD COC(=O)c1cn(CC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 783704270 NGFCHAJEVFSYOJ-UHFFFAOYSA-N 425.446 -0.300 50 20 IBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 794598152 AAMTWSGSAAWEBD-UHFFFAOYSA-N 425.423 -0.708 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc4n(n3)CCO4)CC2)cc1 810591762 HPDUIZZYENTKOC-UHFFFAOYSA-N 448.505 -0.649 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1783936836 VKCMOSUIVFNXLF-NRFANRHFSA-N 432.525 -0.036 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982249 UIJKIIFQZBPHTK-YSSFQJQWSA-N 439.277 -0.697 50 20 IBGD CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1790867254 NZVCZOCRYVDPKW-BWRPRUIPSA-N 446.508 -0.375 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1790962282 ZBVDWBUKVIIWMG-HPCHECBXSA-N 433.347 -0.268 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3ccnc3c1)C2)c1ccc(B(O)O)cc1 1795734756 YZOGYXLCLHXKNP-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1800976714 DKNHONGVPCKIJI-YIDVYQOGSA-N 434.873 -0.675 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806642017 ZFJHBTPELQIMRK-FTRWYGJKSA-N 430.509 -0.261 50 20 IBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cncn1 1815347757 NOBDWSQEKYEJPJ-FZMZJTMJSA-N 440.294 -0.099 50 20 IBGD O=C(Cn1ccnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815773178 ORHWCCUWDADLKR-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473978 JMSNKESJRFITOZ-MLGOLLRUSA-N 427.270 -0.093 50 20 IBGD CC(C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833345498 RNPLSAXJFOXNHT-HXUWFJFHSA-N 431.342 -0.432 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836206062 LQCYTXKROSVPDY-XJKSGUPXSA-N 430.303 -0.235 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839142841 CEGPBWDWLOCVCW-YJYMSZOUSA-N 439.900 -0.286 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840182793 VFDZCXXAJCIDDL-LAUBAEHRSA-N 439.557 -0.700 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1840185103 KZOFUHXOVZGMSN-OAQYLSRUSA-N 436.509 -0.040 50 20 IBGD Cc1nn2cc(CC(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)nc2s1 1843013178 QEJYATHSJNRRAA-UHFFFAOYSA-N 439.306 -0.161 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 728723055 XYDNEHUDDWLELI-UHFFFAOYSA-N 430.464 -0.158 50 20 IBGD CS(=O)(=O)N[C@@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 728960195 WGFUXGHYBFYJNL-CQSZACIVSA-N 425.515 -0.553 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)cc1 763861866 RNTICHRNMWQWIB-ZDUSSCGKSA-N 446.464 -0.110 50 20 IBGD CCn1nc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775462198 WBGJKIDZAFSPGQ-DOMZBBRYSA-N 430.465 -0.004 50 20 IBGD 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Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1834281488 BUQNFPJOGFIAFF-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834335160 PZROWRWELZAFFS-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834588826 IFACXRUNZOPBGN-QGZVFWFLSA-N 436.557 -0.790 50 20 IBGD Cc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929623 YWKJYAMLNQYSAU-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1835939811 JCNZPSHYMXVIQH-VGOFRKELSA-N 441.293 -0.501 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949740 YILFLBYENAAYIN-KBXCAEBGSA-N 442.856 -0.501 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840033101 UCDONUIKUGCSHB-QFYYESIMSA-N 445.270 -0.259 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840149216 IOACUFDYLFYMBH-MAUKXSAKSA-N 435.974 -0.255 50 20 IBGD C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840292415 OGJPOQXCHAFZFQ-QFIPXVFZSA-N 428.294 -0.370 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840588213 WZPPWPBUZKOBKQ-VGOFRKELSA-N 446.309 -0.747 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 757709904 FIVBKWPHWXVARC-QWRGUYRKSA-N 435.528 -0.146 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(C(F)(F)F)nc2)n(C)c1=O 757795199 XDUCZUUDOWXANK-UHFFFAOYSA-N 440.342 -0.300 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763574561 DQRJOLCDAONZJE-MRXNPFEDSA-N 448.457 -0.137 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cc1 763662356 XVHOTQDGZKYTIK-UHFFFAOYSA-N 436.446 -0.232 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 764231173 NBWRMDSIHPWLSF-LLVKDONJSA-N 436.494 -0.214 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccncc3)cc2Cl)CCN1 764354501 UNXYOZROOTZORN-UHFFFAOYSA-N 430.852 0.000 50 20 IBGD Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764379179 ROGIFCYBMGNWAU-UHFFFAOYSA-N 447.839 -0.818 50 20 IBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 772950360 QNAMDAOKFVDCEW-OAHLLOKOSA-N 438.506 -0.273 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCN2c2ccccc2)n(C)c1=O 787439763 KPODWFALUYVPLL-CQSZACIVSA-N 425.449 -0.750 50 20 IBGD CC[C@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 790784468 PBAGSAMTZDLPBJ-MRXNPFEDSA-N 440.522 -0.352 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nnn(-c3ccn(C)n3)c2C)cc1 814363136 HYHYRLYIQKRZJX-UHFFFAOYSA-N 446.493 -0.301 50 20 IBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 816810703 XDDHCZNCWBYDIZ-UHFFFAOYSA-N 441.491 -0.486 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CSCC(=O)N1CCOCC1 912848188 QGEYXRKFGVAAHU-UHFFFAOYSA-N 443.551 -0.359 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 912980468 GWMLKXRRKNBFIK-UHFFFAOYSA-N 429.480 -0.052 50 20 IBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 919888564 FXAODMLZBAOWNM-SJKOYZFVSA-N 441.441 -0.890 50 20 IBGD C[C@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)CN1CCN(C)CC1 1331681928 VWXZBMXUDZETBN-CQSZACIVSA-N 425.559 -0.193 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779614589 LGYWEVLBOMENEI-LJQANCHMSA-N 434.208 -0.285 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982148 PFERDDPAJMKQJY-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788475203 IIXNEHHCEJVMFT-FGPLHTHASA-N 436.303 -0.186 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093910 CCQFOYYENGNARZ-CYDGBPFRSA-N 425.873 -0.577 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3cccn3C)C[C@@H]21 1791293215 OUIRVTLAHGJQTQ-ZOBUZTSGSA-N 433.509 -0.440 50 20 IBGD CC(=O)O[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)C 1797595573 ZKWISASQPNCUAU-LTCOOKNTSA-N 447.492 -0.524 50 20 IBGD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nn1 1798706095 QBTCQSFPRWIXCK-JLVBRIDZSA-N 441.297 -0.770 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013091 VFROWBMOCWLLKR-ZJOBFFGXSA-N 428.486 -0.489 50 20 IBGD COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1802096933 PHABVTJXMZMGHG-YVSFHVDLSA-N 436.933 -0.080 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@H]1c1cccnc1 1808961124 OZDPICNWVDVDQQ-OXQOHEQNSA-N 428.497 -0.248 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817470139 JOXFZLUAOSPTRS-YOEHRIQHSA-N 439.281 -0.078 50 20 IBGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1830732861 BXGQDIVTHPDHBT-FZMZJTMJSA-N 425.707 -0.030 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837456242 GAEXBIVJMKXMBQ-OAQYLSRUSA-N 440.460 -0.536 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459309 CFDIITKTPNYCCD-DNVCBOLYSA-N 439.900 -0.228 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838331044 STRBHGRNJXBUPC-XIKOKIGWSA-N 425.873 -0.337 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352293 KSEILDWSTDBKNK-ACJLOTCBSA-N 428.873 -0.191 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385023 LEWMSYFKUGIKCG-AWEZNQCLSA-N 431.497 -0.829 50 20 IBGD CS(=O)(=O)C1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCCC1 728341172 TXSPDFDVKPWTOX-AWEZNQCLSA-N 426.447 -0.126 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 728383869 FNTWTQWVFBRXRT-NSHDSACASA-N 432.476 -0.796 50 20 IBGD COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 730203934 ZMJYSNKIOCIWHS-ZETCQYMHSA-N 447.413 -0.261 50 20 IBGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 755255089 FVGHRVDMWASDFV-PASATYPHSA-N 426.429 -0.036 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)co1 755409314 FWPGKACXWZBZEH-UHFFFAOYSA-N 429.480 -0.102 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cc(F)cc(Cl)c2)n(C)c1=O 755412150 ITTMCJAZSRILMI-UHFFFAOYSA-N 444.832 -0.764 50 20 IBGD CCc1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n(C)n1 763738734 XCZNPMLGPWQAET-UHFFFAOYSA-N 436.494 -0.302 50 20 IBGD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C)c1 764232350 SOXQLAJPNBZCHN-LBPRGKRZSA-N 436.494 -0.179 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(O)cc(Cl)cc2Cl)n(C)c1=O 768292332 YBYVAGRYVRPEIJ-UHFFFAOYSA-N 441.231 -0.093 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccc(O)cc1 782833816 LUTGESKJHYRASN-UHFFFAOYSA-N 432.458 -0.007 50 20 IBGD Cn1c(NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc2ccccc2c1=O 793497343 IYVPLLGGFFKPKH-IBGZPJMESA-N 428.449 -0.008 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1 800623836 YIHNBHKJYLLULK-LBPRGKRZSA-N 435.462 -0.316 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 913416529 IKEDYDGJBPCJCF-KRWDZBQOSA-N 448.457 -0.089 50 20 IBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212387 HZVWNBYNRNQWLM-LLVKDONJSA-N 438.915 -0.474 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](B(O)O)C3)CC2)o1 1118915023 FFCIXSWNPHHHEQ-ZDUSSCGKSA-N 428.272 -0.068 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181698 MKGQRQJJEGCNDD-KSMMKXTCSA-N 439.900 -0.321 50 20 IBGD COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1783215635 OPCIVLYOVSFRBQ-IBGZPJMESA-N 431.449 -0.918 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1783936912 LRBRIEVPBJNFGV-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090729 MFFBUGPACPFCKX-YTFOTSKYSA-N 449.932 -0.549 50 20 IBGD CCN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786981937 HCIMTESYZYKMFF-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nn1C 1786983694 SPVAFGXIIPGDJJ-VDGAXYAQSA-N 440.309 -0.756 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)N1C[C@@H]2C[C@H]2C1 1788516927 SETLVSJDDDFWSZ-UGCZWRCOSA-N 435.569 -0.321 50 20 IBGD CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1C(=O)O 1792976553 XLLNLGZNBZCORR-BAESOJJISA-N 428.873 -0.035 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cc(F)ccn1)C2)c1ccc(B(O)O)cc1 1795732908 QIEHVGAUAYHJKZ-VPTLXERWSA-N 441.268 -0.264 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ncccc13)C2)c1cccc(B(O)O)c1 1795738732 DDWIQJCNPBIHGW-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cnc2c1 1797065490 BTCLLBSRWJEAAC-IARIHHJXSA-N 434.880 -0.194 50 20 IBGD CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095112 UNIPMIPWEHUDLI-IZZQQSIFSA-N 431.493 -0.489 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@H]1CCCS1(=O)=O 1800392280 RGQJNDCOCOJNTB-ROHXPCBUSA-N 427.292 -0.156 50 20 IBGD Cn1nc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cc1O 1804892369 KANKLJUNLWAILA-OXQOHEQNSA-N 449.276 -0.166 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cncn1 1813399759 GMTYHEVSHWOKHH-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1 1817002027 RLMOARBHOABSGJ-HZMBPMFUSA-N 427.490 -0.105 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1835929509 SBADMDJQEHZPBJ-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1C 1835933751 CDEBDPXNBPUAOD-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836047805 ZBOGRVJKHNFNQE-AWEZNQCLSA-N 438.916 -0.640 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837499188 FDVZRDGPBJIJAG-TXPKVOOTSA-N 448.900 -0.045 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837715575 YGAMXKGJZOROGM-GOSISDBHSA-N 440.577 -0.373 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840129335 QJVXNJWSMGPYIK-BTYIYWSLSA-N 432.282 -0.948 50 20 IBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 733546763 JDAPBLLPEIUQLX-HNNXBMFYSA-N 441.400 -0.596 50 20 IBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 744385004 QPZFAAGPLYRULD-UHFFFAOYSA-N 438.510 -0.232 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745443051 ZTKXTBDROCUZOD-RYECPLHJSA-N 429.429 -0.150 50 20 IBGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)S(C)(=O)=O 754673441 GTQNPKWCSBUFHU-LBPRGKRZSA-N 432.524 -0.152 50 20 IBGD CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(C)=O 763515158 IGESCYPVOHHXQI-UHFFFAOYSA-N 441.510 -0.341 50 20 IBGD Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 763904148 XIGAHSVZKAXGHB-VIFPVBQESA-N 425.492 -0.327 50 20 IBGD CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@@H]1OC 776522826 HBIGYZWVPDOBOM-INMHGKMJSA-N 442.542 -0.164 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cncc(-n3ccnn3)c2)CC1 802543409 PPFLKIIDEQTLJD-UHFFFAOYSA-N 443.493 -0.250 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1nn(-c2ccccc2)cc1O 914830482 AWAYNSMOKZBDGV-OCCSQVGLSA-N 447.473 -0.626 50 20 IBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 919243368 RQXSJUVUFWIIOT-CYBMUJFWSA-N 428.423 -0.287 50 20 IBGD CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 921295201 IWKKUBZXZMSXNK-UHFFFAOYSA-N 440.438 -0.172 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1783970278 UNOQZZAFKJTUQN-VOAKCMCISA-N 445.314 -0.451 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785442448 DIEJORUXHLPCKS-NQIIRXRSSA-N 431.298 -0.885 50 20 IBGD CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291274 QKGMPOFJTIZSCJ-JYJNAYRXSA-N 425.530 -0.889 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794206942 FWYMWGHYCTZZQQ-ZXFNITATSA-N 441.492 -0.579 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)N1CCN(C)CC1 1795115018 YPRQPRYEXKUIFH-PNBKFKSVSA-N 431.375 -0.003 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(F)cc1)C2)c1cccc(B(O)O)c1 1795737521 QRKNWCIVVUSWEQ-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD O=C(Cc1ccc(F)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795794818 ZRLPGYMVSJTFEL-YVWYUNDQSA-N 427.241 -0.654 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3nccc13)C2 1801012762 KCSMJDHMFQLOKM-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1825999751 CHEXKSBIBPBHMZ-XMZIXOGTSA-N 432.930 -0.041 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)COCCO)CC1 1830371745 HUFOAUHUOMHNMX-SFHVURJKSA-N 433.509 -0.073 50 20 IBGD O=C(c1cnc2c(c1)CCNCC2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014862 JTEWEUDWIPWDGJ-UHFFFAOYSA-N 434.305 -0.420 50 20 IBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C1=CC=CN2CCS(=O)(=O)N=C12 728847671 KLZQJTPCKYNBMO-UHFFFAOYSA-N 431.478 -0.662 50 20 IBGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 729053871 TXESACNGADSRQG-QGZVFWFLSA-N 446.556 -0.034 50 20 IBGD CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 732755235 RDNCZPVUTKCHPR-LSDHHAIUSA-N 442.563 -0.016 50 20 IBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440336 GPAMCOLHSVXTGZ-WLHCIVTGSA-N 440.412 -0.587 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)[C@H]1COCCO1 755407981 GLZLVPGSEUNJBP-OAHLLOKOSA-N 444.466 -0.716 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1-c1cccc(Cl)c1 764226440 IRUGLFSUMVDBJD-SECBINFHSA-N 428.858 -0.451 50 20 IBGD CC(C)[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1CCCS1(=O)=O 772629247 CXTHBLXNDFFACW-CYBMUJFWSA-N 431.540 -0.199 50 20 IBGD COCCc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 786195668 CHUJAEZALSGCBI-UHFFFAOYSA-N 429.437 -0.525 50 20 IBGD Cn1ncc(I)c1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1324189942 SYMDVGFLMIHZEI-ZCFIWIBFSA-N 427.224 -0.844 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1779031828 ZKRGLXRCQFPZOT-PGRDOPGGSA-N 439.472 -0.138 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032387 PZNAMPQUJADUOX-QKKBWIMNSA-N 446.508 -0.567 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1782210309 ODCJTJNERWVXEU-WHSLLNHNSA-N 437.541 -0.601 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782705358 TVXIEFAUQRCJEV-VLIAUNLRSA-N 434.254 -0.629 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1783933861 JTPUQINNVZMVKD-FQEVSTJZSA-N 435.481 -0.788 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21)[C@H](F)Cl 1787443745 CCRCXJVIKLXTAW-ABHRYQDASA-N 425.910 -0.769 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056377 VYLWSDMVDGHMBD-JNLQPACOSA-N 436.303 -0.186 50 20 IBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978293 PHHTWNABLPYHOT-AICCOOGYSA-N 449.932 -0.285 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccn3n1)C2)c1cccc(B(O)O)c1 1795738958 JTWIAEHBMDKWMC-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1cccnc1)C2)c1cccc(B(O)O)c1 1795740670 HQPUARWGKGSTLI-HATOLVCRSA-N 437.305 -0.013 50 20 IBGD CN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797748345 RTSFUDQZUXOLQF-JLVBRIDZSA-N 430.509 -0.770 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367775 VUIKTXOTVIOYKA-NQIIRXRSSA-N 438.293 -0.393 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1807371058 OYUCZQRKGQHQDI-KPFFTGBYSA-N 436.277 -0.640 50 20 IBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819894658 ZKLDDCJTSXAFMJ-XMZIXOGTSA-N 432.930 -0.041 50 20 IBGD CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830017399 KLQUHALEWIZPQJ-HXUWFJFHSA-N 435.481 -0.820 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830737421 HLLDYSPPAXDNOG-LPHOPBHVSA-N 428.917 -0.054 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832380429 LIMHDGYBTOHYDA-SCLBCKFNSA-N 430.889 -0.695 50 20 IBGD COC[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833525737 WFPBHJWLDBDKKX-MRXNPFEDSA-N 431.342 -0.166 50 20 IBGD C/C=C/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839835199 CUBRFTVZNYJAOO-ORQJHOEPSA-N 429.477 -0.113 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840033004 QIPGVUYGOACTSV-MGPLVRAMSA-N 445.270 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840287291 RXRLPLDRLCJSGJ-HNNXBMFYSA-N 426.848 -0.353 50 20 IBGD Cn1c(=O)n(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c2ccccc21 1843859197 AHGKCRVDAIZMFF-UHFFFAOYSA-N 448.288 -0.463 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265157 ZEJOGMUFKOXKQV-OAHLLOKOSA-N 448.480 -0.655 50 20 IBGD CC(C)C(=O)NCCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 757662689 FUYLXDCSOOVXLF-UHFFFAOYSA-N 441.558 -0.194 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 759523059 CVKKFEQDYJUVIS-BNBDDXAPSA-N 432.458 -0.508 50 20 IBGD C[C@@H](CNC(=O)C(=O)NNC(=O)COc1ccccc1Cc1ccccc1)S(N)(=O)=O 763719054 UHJJSCQVKVQQNV-AWEZNQCLSA-N 448.501 -0.403 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cncnc2N(C)C)cc1 763739071 YGHCFVJWKRRFMX-UHFFFAOYSA-N 449.493 -0.742 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 764325295 IIFAHSHJEOUYCB-STQMWFEESA-N 442.494 -0.393 50 20 IBGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)CC1 764427312 YWKDZYLAKKNMTE-INIZCTEOSA-N 439.900 -0.017 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H](c2ccccc2)n2cccn2)n(C)c1=O 766639086 LXAIHXFJSGCYAA-HNNXBMFYSA-N 436.432 -0.933 50 20 IBGD C=Cn1cc(C=NNC(=O)C[C@H](C(=O)NN=Cc2cnn(C=C)c2)N2CCOCC2)cn1 773058664 NUHFKVKNWGDQLE-GOSISDBHSA-N 439.480 -0.028 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(C(N)=O)cc3)nc2)CC1 916530589 FPKKBYRZKATCPA-UHFFFAOYSA-N 447.521 -0.057 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@@H]1COC(=O)C1 1333548228 LVXBOYZJFMFNFQ-HNNXBMFYSA-N 439.490 -0.259 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1OC 1341157807 NYJRGVWBBBZIFC-OAHLLOKOSA-N 440.522 -0.731 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028199 GTYCVRNRWCZQIO-YCRPNKLZSA-N 441.492 -0.339 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330695 DEGZIHBPGTVZMK-BBRMVZONSA-N 429.051 -0.500 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781348705 HFXHVZUGSCYSBF-BIENJYKASA-N 449.932 -0.308 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Cl)n(C)c1=O 1796802943 JQCLVHDWEPCWRH-MIJXAVMKSA-N 440.863 -0.394 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799416851 QYDGOPQLTLSYNM-CWPLJXCYSA-N 426.282 -0.848 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1801012507 LPMIZQMQFBEPEV-HBCWATKFSA-N 431.493 -0.638 50 20 IBGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1 1830726064 SZNZZJSFZQMZFH-KSSFIOAISA-N 431.848 -0.101 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199938 AHBSQJPWPXOLKD-DOMZBBRYSA-N 433.234 -0.470 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275953 TXJJFQBYDBMAHF-CYBMUJFWSA-N 446.551 -0.132 50 20 IBGD CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3cnn[nH]3)c2)CC1 729455545 KRHIBZVLSFEMNE-UHFFFAOYSA-N 441.901 -0.141 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 743291246 OSIJEBHQDWOYJQ-SCRDCRAPSA-N 444.558 -0.650 50 20 IBGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)c1 752285666 VZEGXIHSAMCGOY-VXGBXAGGSA-N 425.463 -0.361 50 20 IBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1Br 756170454 WBGFYUHOEAOUPG-JTQLQIEISA-N 430.211 -0.263 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C 758039303 JGXIZDNPHNQEAD-SNVBAGLBSA-N 436.437 -0.670 50 20 IBGD CCn1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1=O 763737232 PQTKCSXUIQHEKB-UHFFFAOYSA-N 449.489 -0.417 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 763809902 UJGWOJDOIGRNAT-UHFFFAOYSA-N 444.448 -0.785 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786376457 RLFGWDLPAYEAEP-KNCCTNLNSA-N 429.429 -0.148 50 20 IBGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 793222568 CGUZTTTUGFYQIL-AWEZNQCLSA-N 427.483 -0.333 50 20 IBGD O=C(COC(=O)C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 815282798 NRBGUSZISVBKNQ-SWLSCSKDSA-N 426.447 -0.268 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)NC(C)C)o1 915139929 MJXBLFZDXBPZDY-NSHDSACASA-N 444.466 -0.719 50 20 IBGD Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1 1339722991 OQJPFBDRDQNNPP-UHFFFAOYSA-N 431.478 -0.071 50 20 IBGD C[C@@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1779028110 DMJPDRBGQFBFML-SJORKVTESA-N 445.398 -0.558 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1780098978 MZWMFBNQNALCLX-IBGZPJMESA-N 449.420 -0.368 50 20 IBGD CC(C)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212100 UYFGZEJFGKXZDE-IIBYNOLFSA-N 439.557 -0.355 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214266 NGKBRIQIMNQXBT-AUUYWEPGSA-N 427.502 -0.771 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1783937202 QLJLUKNGPBUENQ-JOCHJYFZSA-N 443.504 -0.002 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784632179 WWHRAXDMEQZDOX-VFNWGFHPSA-N 426.282 -0.424 50 20 IBGD Cc1noc(N)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786838193 KUDPZKMOMCUYNS-CQDKDKBSSA-N 443.464 -0.529 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1787506513 BPUDLXDZVGJYIK-JHUKZBBPSA-N 442.480 -0.458 50 20 IBGD Cc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610069 ALTSGFLWSWFVHT-OWQGQXMQSA-N 439.476 -0.309 50 20 IBGD N=C(N)SCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807000780 HPHQFDOTOAOZNS-QAPCUYQASA-N 441.322 -0.292 50 20 IBGD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CCN1 1834826649 SQVBXJXJNJPOBE-DYVFJYSZSA-N 432.315 -0.246 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160599 MVLATTHUKSFBII-HFPPPRFQSA-N 437.522 -0.105 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847511387 PMHUZZVVSSWTKU-YESZJQIVSA-N 447.297 -0.933 50 20 IBGD Cn1nc(C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)c2ccccc2c1=O 728150848 LZUYZIMRVXCMNV-HNNXBMFYSA-N 428.430 -0.575 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308044 SBGPTLLBPWZUQF-OAHLLOKOSA-N 443.547 -0.184 50 20 IBGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCOCC1 739058298 FNKYLZPCPXCHRV-AWEZNQCLSA-N 427.527 -0.151 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 740942875 BZJIORJMIQULPY-UHFFFAOYSA-N 441.510 -0.881 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742676157 HNMSEZAZCJEFMJ-WFFHOREQSA-N 425.442 -0.996 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1Br 747613690 UKLDDCSDQWMTDL-ZCFIWIBFSA-N 444.285 -0.606 50 20 IBGD O=C(NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)N1CCCC1 748247807 XJQRSGBGVPWQOA-UHFFFAOYSA-N 433.490 -0.383 50 20 IBGD CCn1ccnc1C=NNC(=O)C[C@H](C(=O)NN=Cc1nccn1CC)N1CCOCC1 755743212 LTXAOIOLFCOZNJ-MRXNPFEDSA-N 443.512 -0.189 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 758035059 JQCOYCJFTKGWJG-QWRGUYRKSA-N 426.524 -0.007 50 20 IBGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758049365 ZAZPIFCSQFNAKG-JSGCOSHPSA-N 426.495 -0.225 50 20 IBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764295500 MWPQADVCOUVQEM-MRXNPFEDSA-N 442.432 -0.868 50 20 IBGD Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646311 ZFCJSPKSFXQJLJ-UHFFFAOYSA-N 443.445 -0.080 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772192047 JHGUILVXKJDFCY-GBOPCIDUSA-N 434.836 -0.734 50 20 IBGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 788478864 VWFYWOOAALYQGE-UHFFFAOYSA-N 442.475 -0.258 50 20 IBGD Cc1cc(=NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2[nH]1 809887502 XWWQXSASSJZEHK-UHFFFAOYSA-N 436.432 -0.435 50 20 IBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815751907 UGFXCPAORZRDPL-UHFFFAOYSA-N 438.466 -0.071 50 20 IBGD COC(=O)c1ccc(Br)c(NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 815866275 WKMNIMIGBJCBHD-SSDOTTSWSA-N 437.272 -0.528 50 20 IBGD C[C@H](CN1CCOCC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916471068 ZOQJKBPVKHIIPD-OAHLLOKOSA-N 441.558 -0.636 50 20 IBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 920833023 WSBOSSDRYVCALL-INIZCTEOSA-N 429.455 -0.721 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778744232 WZKUHVGMGVBDTL-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779032653 VWRDEKMWXUYMRS-FQEVSTJZSA-N 427.465 -0.597 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783871539 SWMSRPGVCJDNHB-IOASZLSFSA-N 425.935 -0.602 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1783934229 APAGOHPPPJEZCI-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1783934868 ITAZLUKDHNUCJU-SFHVURJKSA-N 426.905 -0.110 50 20 IBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnn2c1 1783936696 ZCVJHFDPNIADDI-OAQYLSRUSA-N 443.508 -0.146 50 20 IBGD Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610383 PCCBNZQYRYFTFJ-CQDKDKBSSA-N 445.505 -0.248 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788651720 CJGXRJCESZCGJW-IUVQAAGXSA-N 429.590 -0.532 50 20 IBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(Cl)CCl)C[C@@H]21)C(=O)C(=O)O 1790635696 ZKZMEFKXJFAASW-GUUCOKDPSA-N 438.308 -0.255 50 20 IBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792979660 ATZUUWZQYOHPGB-KJQKOTGBSA-N 425.869 -0.054 50 20 IBGD CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440355 JHRNYHPAULRGCI-CLLJXQQHSA-N 433.538 -0.579 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799349710 KBMYDYMWPLZPPV-KNDBQHFLSA-N 426.239 -0.669 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799349730 CCLIIKYFMJVYEH-ZQNQSHIBSA-N 449.932 -0.549 50 20 IBGD C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798060 PIRAJHNCDOZFFO-KRWDZBQOSA-N 441.337 -0.410 50 20 IBGD N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1cccnc1 1835823970 FYBXRWWHKUKDBE-MDZRGWNJSA-N 426.901 -0.472 50 20 IBGD O=C(Cn1nccn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920273 UXDIPQSAOSQTGQ-UHFFFAOYSA-N 441.297 -0.730 50 20 IBGD COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CCC1 1840618425 GQXXJPILQIGDPE-OAQYLSRUSA-N 440.541 -0.225 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)C(Cl)Cl)C2)n(C)c1=O 1846386921 LNECLBHZMFAKHE-UHFFFAOYSA-N 443.291 -0.559 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCO[C@H](C)C2)cc1 726257384 QWBFOJJZWRDFFW-OAHLLOKOSA-N 427.527 -0.333 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 728384864 QMXYOLKZVHGBSR-ZMZPIMSZSA-N 438.462 -0.956 50 20 IBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2O1 763570906 GWLRLCKBJMUTSM-IAGOWNOFSA-N 441.396 -0.059 50 20 IBGD Cn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(O)nc1=O 766664986 ZWYZUCJOKXENAZ-UHFFFAOYSA-N 434.884 -0.282 50 20 IBGD C=CCOc1cc(OC)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 768278917 XBTTZHQUWRISOA-UHFFFAOYSA-N 442.432 -0.532 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cn(C)c2ccccc12 773389918 IKCJQXYLPFZWHP-GFCCVEGCSA-N 437.460 -0.124 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951441 PGGSVVGBYNFSPN-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2)[C@@H](F)Cl 1778023263 ZZOZXHOXKWSJKI-FRFSOERESA-N 439.937 -0.235 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1779374581 PWKGRYYFVSASQB-OXQOHEQNSA-N 442.480 -0.896 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257546 ZFKCDXWCOAIIKV-RHSMWYFYSA-N 436.347 -0.866 50 20 IBGD O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783497463 OXRIWBWLRAMWDJ-WDSOQIARSA-N 447.366 -0.992 50 20 IBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785029258 CEBKYLOYSSNYBG-SRVKXCTJSA-N 431.287 -0.697 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnsn3)C[C@@H]21 1788611434 BNGNHBDIFXSJLR-XEGUGMAKSA-N 431.478 -0.556 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1[C@H]2C=CS[C@@H]21 1790625121 UPXFSXVXHBBFLM-RHNZQBAGSA-N 428.319 -0.165 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291541 XPAIIQIGDVTIMZ-QAETUUGQSA-N 435.529 -0.733 50 20 IBGD CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1F 1795737308 RFPCMXAYAQXUOB-FVCICTRLSA-N 430.245 -0.692 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2)c1cccc(B(O)O)c1 1795740558 BHCPKRMTBREFQG-MFCZKXCZSA-N 438.293 -0.902 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2)[C@@H](Br)Cc1ccccc1 1800433660 ZFROGHGOYFGASN-XGUBFFRZSA-N 427.295 -0.107 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1801012453 GQWNYOYTSARMSE-HBCWATKFSA-N 449.464 -0.123 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803143065 SOOCWHGVXYEPRB-QZWWFDLISA-N 426.901 -0.162 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cncn1 1807367977 PCYRLMKMRLRROP-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808616303 ZMSOOSPQBZRGNK-KXBFYZLASA-N 442.476 -0.591 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971267 PJXXKTSUKAZLHQ-IBGZPJMESA-N 445.325 -0.638 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812648493 NPIRKQLDTXZHBX-DJKXOVBDSA-N 438.293 -0.394 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1813031020 IYAAMTJPXRRDGL-IMBTUZDBSA-N 440.928 -0.008 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181767 LUZPPQNZJHHIIN-ZIAGYGMSSA-N 425.850 -0.069 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824542204 KONKOJKRUQTPSQ-LBPRGKRZSA-N 447.521 -0.315 50 20 IBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)c(=O)nc1O 1827988699 XMVBTPLVUPQVDB-ONGXEEELSA-N 441.897 -0.074 50 20 IBGD CC(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833346041 CURORJXTJWDSSA-IBGZPJMESA-N 446.552 -0.113 50 20 IBGD CN1CC(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1834801461 LQDXKUPRVFYLMS-UHFFFAOYSA-N 428.342 -0.887 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404647 JWWKXSSNAFRNPR-FXAWDEMLSA-N 446.976 -0.666 50 20 IBGD Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n1 1835664649 BMCMHOLXFXYSNK-AWEZNQCLSA-N 427.937 -0.509 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1837919102 DUVSSANNLLDPPG-MAEOIBBWSA-N 430.310 -0.251 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1840444223 GVDDLJUCIPZEKB-UZLBHIALSA-N 436.513 -0.727 50 20 IBGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727067672 ODLMSDZWBMTBLY-UHFFFAOYSA-N 449.580 -0.871 50 20 IBGD COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276316 CBYNJRHOFRZFPV-AAEUAGOBSA-N 446.551 -0.368 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 730595580 RGYSOWBQOPDOAO-UHFFFAOYSA-N 425.452 -0.503 50 20 IBGD CN(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 746007999 IOPLNQQJCMHYHQ-GFCCVEGCSA-N 440.931 -0.276 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2coc3cc(F)ccc23)n(C)c1=O 765730626 MQJKGZFUYYIHGK-UHFFFAOYSA-N 428.380 -0.291 50 20 IBGD COc1ccc2nc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2c1 765731201 RBDYNBRCWGYJEL-UHFFFAOYSA-N 437.416 -0.548 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCCN3C)CC2)cc1 766635699 DCLHBUQTHGLMGS-GOSISDBHSA-N 437.566 -0.067 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(=O)c3cnn(C)c3)CC2)cc1 766636732 SUVGVTJQQMHVJO-UHFFFAOYSA-N 448.505 -0.935 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C=O)[nH]3)CC2)cc1 766636746 UGQNTXMQENVYNA-UHFFFAOYSA-N 433.490 -0.097 50 20 IBGD CC(=O)NCCNC(=O)CCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776213655 QDYMOEFELOHOKO-UHFFFAOYSA-N 442.517 -0.345 50 20 IBGD CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 789734427 BAEOOZKRNDCXSU-SNVBAGLBSA-N 426.455 -0.252 50 20 IBGD COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 797010942 IPBKSMFDVLHZAA-LLVKDONJSA-N 448.201 -0.124 50 20 IBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c3ccccc3)CC1)CC2 810593086 SLNFZOOKVOINFY-INIZCTEOSA-N 425.493 -0.475 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 919884392 FMSSQLGIAUETCJ-UONOGXRCSA-N 444.535 -0.395 50 20 IBGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1780433673 ZPYCJVYSZFITDY-FQEVSTJZSA-N 443.464 -0.816 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781789698 OZXHTWPAWBRYMT-AKCHCHLHSA-N 425.530 -0.602 50 20 IBGD C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(F)(F)F 1784872997 GMQOGEBMLKJWHB-ADOMEBDSSA-N 444.215 -0.727 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979926 PWPYFQUWLPHKLT-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983667 ZYSSBIMUGWVCJJ-BPUTZDHNSA-N 430.295 -0.567 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nn3)C[C@@H]21)c1cccc(B(O)O)c1 1786983940 GMZZWHNUZDZPIP-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD O=C(COc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793936453 XLDBXRWXXJKQDZ-CWPLJXCYSA-N 425.250 -0.956 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1cccc1 1797754013 JEMRYQKPEJCOGF-AFIMGQEJSA-N 426.477 -0.049 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830200004 IKJNPXCPCZAXMZ-UFYCRDLUSA-N 429.326 -0.678 50 20 IBGD O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730728 CHNOENAPSDWPKN-OTYXRUKQSA-N 441.794 -0.507 50 20 IBGD Cc1nnc(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)o1 1834835462 JQONVMBUWQPNIF-UHFFFAOYSA-N 449.556 -0.135 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838843857 SMIQOEKCNKNHEK-FQEVSTJZSA-N 448.668 -0.003 50 20 IBGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840184781 BGXXMLGTDKCTSP-UWJYYQICSA-N 439.557 -0.842 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840550173 GVMFPVSPSDVURQ-TZMCWYRMSA-N 445.307 -0.432 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)no1 1844264194 RHIYXMHVSWMWPH-UHFFFAOYSA-N 441.448 -0.173 50 20 IBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)NC1CC1 725739236 ASJVDFIRGWYINL-UHFFFAOYSA-N 436.446 -0.080 50 20 IBGD COC(=O)N(C)CCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116793 GATJNZABICZPRI-UHFFFAOYSA-N 428.515 -0.061 50 20 IBGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746164593 YAWPAGFEEJQQNG-YBOJIHHZSA-N 431.492 -0.527 50 20 IBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cnc2n(C)c1=O 755849985 WUNMMKFCZHNKNZ-UHFFFAOYSA-N 446.445 -0.498 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)COc1ccccc1F 763012533 MZTUMDXXIDLQAS-NSHDSACASA-N 438.437 -0.182 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 764229729 BVQPLONPCVGBFZ-NSHDSACASA-N 442.494 -0.406 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc(C(F)(F)F)cs2)n(C)c1=O 765313243 QKCYGMLZGTZEKI-UHFFFAOYSA-N 446.371 -0.238 50 20 IBGD COCCCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 780696724 FNDANUVEKCVATR-HNNXBMFYSA-N 428.467 -0.119 50 20 IBGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnn(C)c1 795526776 DYCKILROBCDUSZ-CHWSQXEVSA-N 444.514 -0.154 50 20 IBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1Br 797005174 RTYQUFKCHVUZOW-ZETCQYMHSA-N 439.263 -0.080 50 20 IBGD CN(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Br)o1 1317993618 RJKGSHKSLOVNNR-QMMMGPOBSA-N 437.272 -0.368 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1783937635 WPUAOLAHONIQQQ-FQEVSTJZSA-N 434.497 -0.682 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1784317523 OVNLZCASYUICKE-QFIPXVFZSA-N 440.309 -0.286 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785032363 ZJEMLVZLGJVYSM-BJDJZHNGSA-N 431.287 -0.699 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(C)C 1786984258 VVFKMGCPQBVLOR-LEAZDLGRSA-N 446.309 -0.453 50 20 IBGD Cc1nc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787647903 IEXMPIUTESRKBP-RCBQFDQVSA-N 427.465 -0.376 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC=CO3)C[C@@H]21 1788611327 UTXIYMOQGBSPSA-MGHWNKPDSA-N 429.477 -0.029 50 20 IBGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788816424 IYTRYLMMOBEKTP-SZMVWBNQSA-N 426.282 -0.387 50 20 IBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1789858876 RXLAJGGESMVISU-VGWMRTNUSA-N 435.974 -0.286 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C3CC3)c1F)C2)c1cccc(B(O)O)c1 1795737197 CBIRPACGNXMQHK-XOIINTDNSA-N 442.256 -0.377 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795932278 WOMJWXOKVSWHTQ-AKZRSSKFSA-N 437.305 -0.155 50 20 IBGD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796412177 IGRFUQAENJAMHQ-JJAZEVLHSA-N 444.322 -0.473 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1796441012 JZBHONZKAAJIOU-HXQQXZKVSA-N 425.449 -0.186 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2)[C@H](F)Br 1799344405 LJIWEBPFEBQWHI-OWLDWWDNSA-N 432.246 -0.418 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncnn2c1)c1ccc(B(O)O)cc1 1799852267 CONOUWKBLCYOGA-REPLKXPHSA-N 433.277 -0.096 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)O1 1807364912 LALWXSDWOHBYEQ-SZMVWBNQSA-N 438.249 -0.811 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350293 OVMHLMVFLWVVOG-GWCFXTLKSA-N 430.295 -0.440 50 20 IBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833784523 PEFOPPNMQISMFE-INIZCTEOSA-N 442.904 -0.037 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926555 RNYBVGYBKFIEIC-HXUWFJFHSA-N 438.717 -0.299 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839061043 AGOZRQBOHDKNSW-NRFANRHFSA-N 433.509 -0.547 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840152182 AMLIHCXJPXWRFM-YVEFUNNKSA-N 430.845 -0.788 50 20 IBGD CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 732755231 RDNCZPVUTKCHPR-HUUCEWRRSA-N 442.563 -0.016 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 747461988 RPSSBIYFCHQTPL-LBPRGKRZSA-N 435.549 -0.382 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)CNC(=O)c1ccco1 755224086 XRQANZJKPHATPX-LBPRGKRZSA-N 437.453 -0.328 50 20 IBGD Cc1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 755536797 UTYJCCBPRGPAGK-CQSZACIVSA-N 445.465 -0.007 50 20 IBGD CCN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 762220679 DIMHVQIEWUFAQU-GFCCVEGCSA-N 430.914 -0.274 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cccc1C(=O)N1CCSCC1 764435500 WCDNTHDPSBSOHA-OAHLLOKOSA-N 436.490 -0.315 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)c(N)c(Cl)c2)n(C)c1=O 764753311 VPOTXYGVKXIITD-UHFFFAOYSA-N 440.247 -0.216 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765737410 ZCJPSGCAYWEWBO-UHFFFAOYSA-N 445.501 -0.447 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(-c3cc[nH]n3)c2)n(C)c1=O 767924031 NKTCWDWHQUFLMQ-UHFFFAOYSA-N 437.420 -0.323 50 20 IBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1OC 810944008 KXEVEHMQAULRLO-UHFFFAOYSA-N 446.482 -0.346 50 20 IBGD O=C(NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCc2nncn2C1 814211787 QBMMOKOOHFPLBO-CYBMUJFWSA-N 446.489 -0.133 50 20 IBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 916526408 JXZXTCGPBTYVQR-JLTOFOAXSA-N 446.416 -0.763 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 919883082 APECXJRYMAQLKO-CBBWQLFWSA-N 440.522 -0.130 50 20 IBGD CN1CCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2C1 1782558385 IVUVFUKNCZWGIZ-LPHOPBHVSA-N 425.917 -0.238 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980031 AIGFGZHXHFPTBJ-WDSOQIARSA-N 440.309 -0.376 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787508413 WMXCCTHFPMIFRJ-DVBSWERSSA-N 429.433 -0.812 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791638007 NBXGKRBMLMBZJD-WDSOQIARSA-N 448.568 -0.068 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2)c1cccc(B(O)O)c1 1795739247 WPYLPFWBXNIMCF-ALXJQNPVSA-N 435.249 -0.845 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1Cc2ccccc2CN1 1796371435 ZZBCTANTASJLAB-NPDDRXJXSA-N 449.316 -0.716 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818692 ZBZRUKRMHNUOQT-YGVZQAFMSA-N 439.513 -0.522 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)ccc1F 1799525387 CACFXHBDNGDUBG-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800591172 RJDQCHBNVWHGPZ-DFGXFYAUSA-N 447.297 -0.539 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337161 HRSHNGCUYPKIKD-YVSFHVDLSA-N 440.497 -0.508 50 20 IBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1806814033 MDUJCOUDLMBFCU-YVWKXTFCSA-N 436.277 -0.640 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375659 PGFJVDQCMVPWHU-LPHOPBHVSA-N 447.260 -0.110 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810358991 JVHZCVZDLVZANF-YZLZLFLDSA-N 440.928 -0.008 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813137270 WHIPTOWLFYRMDF-QLVMHMETSA-N 444.536 -0.013 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827055329 XSLKVQKSYLZAEK-OALUTQOASA-N 427.310 -0.122 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnoc3)CC2)CC1)c1ccc(B(O)O)cc1 1834798692 YIBKBMXLVTTYHB-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD O=C(CCC(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835321725 HGFGLKFWHVORMX-SFHVURJKSA-N 444.215 -0.221 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836749236 VERRLVHPPVXFKM-PERKRYKHSA-N 430.310 -0.127 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837396799 KNWMJDMNGWNBCP-PGRDOPGGSA-N 446.309 -0.991 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416211 LXGOKCPWUOWTIL-OOXYOOLHSA-N 434.453 -0.612 50 20 IBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)N[C@H]1CCN(CCN2CCOCC2)C1 734686686 SLUYYEBBVSNWFX-INIZCTEOSA-N 443.508 -0.072 50 20 IBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)C[C@@H](C)O1 748246819 PVXZVVNTIRQETC-ZIAGYGMSSA-N 438.506 -0.132 50 20 IBGD CNC(=O)c1cccc(OCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 758833158 XYOBGUAYLIIXMJ-KRWDZBQOSA-N 443.412 -0.044 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1CCN(C)C1=O)c(=O)n2Cc1ccccc1 761768733 XDRBDNGEUJRRMZ-UHFFFAOYSA-N 437.460 -0.238 50 20 IBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 763573138 XGACPCCLIHRAEO-INIZCTEOSA-N 425.401 -0.197 50 20 IBGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764229763 BZQQVTZJRRZYHI-PFEDMVJOSA-N 426.451 -0.714 50 20 IBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 773497687 XVFGTJMLPISUON-UHFFFAOYSA-N 426.385 -0.560 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786998985 LYAVOIXUXZIUHM-CVEARBPZSA-N 426.514 -0.175 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1 813033235 KLTFFJCHPJCXLH-UHFFFAOYSA-N 430.450 -0.006 50 20 IBGD COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1O 919755785 FYOAYCZVIOTMEM-UHFFFAOYSA-N 448.457 -0.404 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)c1 1322595095 SEIDXWJVQZVIAY-UHFFFAOYSA-N 436.494 -0.517 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1778355033 ULOWKSBUFSNAMY-SFHVURJKSA-N 445.358 -0.235 50 20 IBGD O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779016933 VKLKCLADZSUYSB-VSIOZEBNSA-N 428.298 -0.718 50 20 IBGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)(C1)C2 1783937866 YEJARXAUMLXNRJ-XVAXZDLZSA-N 436.509 -0.467 50 20 IBGD CCOC(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)OCC 1784165163 PSDWRTKKTRUFNJ-NRFANRHFSA-N 434.298 -0.401 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSC(=N)N)[C@H]2C1 1786777519 BQIIKJIVBVVYSK-HMEDOYGISA-N 449.537 -0.273 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1cccc(B(O)O)c1 1786984423 LHRWRZFHASZJOX-BPUTZDHNSA-N 439.115 -0.255 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1787507747 OSUSWWMXODQUGK-RPRPFZMQSA-N 432.481 -0.765 50 20 IBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1789869125 YABKQQLMLMWXPY-UWCDFFNFSA-N 435.308 -0.246 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccn3n1)C2)c1ccc(B(O)O)cc1 1795734224 JXXKZHOGILAWKB-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737576 XKJQCYOAFSSEOJ-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799684763 PMUULXRBGPCXGE-WPLOAARJSA-N 435.905 -0.327 50 20 IBGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1803642199 CPSNKZBHLGLKMW-RYQLBKOJSA-N 438.249 -0.811 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1813072036 ZDUPIJJHQRWORS-OXJNMPFZSA-N 428.497 -0.248 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830358354 TZBRMZTYFOSFJO-FQEVSTJZSA-N 438.717 -0.299 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835394045 MVZNQBYYLLZPSA-QGZVFWFLSA-N 434.331 -0.440 50 20 IBGD O=C(c1ccc(O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931286 KZUHROVMMDTMBC-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)n1 1840152194 AOXXFRGDBSSUQG-KXBFYZLASA-N 444.916 -0.147 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285714 XGHBNLZSWIWKOW-MRXNPFEDSA-N 447.826 -0.413 50 20 IBGD C[C@@H]1CN(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 726261425 RMLYSQYKOLJLOZ-OAHLLOKOSA-N 441.558 -0.636 50 20 IBGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 728502884 SKVZPBMVSLNJPU-UHFFFAOYSA-N 435.418 -0.325 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 731849029 RDSJLTIKOHBCFL-NSHDSACASA-N 426.524 -0.057 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746813331 NNLCOQULRMHMBY-LBPRGKRZSA-N 433.508 -0.851 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 756681974 DWUDWNACNHJTED-QMMMGPOBSA-N 425.464 -0.834 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(C)cc1O)CC2 764111763 QAVDFYZYGBCGHV-UHFFFAOYSA-N 432.458 -0.041 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 764233376 WHLHIZRSCQVPAN-JTQLQIEISA-N 449.917 -0.696 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCc2ccccc21 766645581 UQEQTWHJQACOMM-LBPRGKRZSA-N 425.449 -0.968 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 778440897 LUQUPKNJMHAOLL-AWEZNQCLSA-N 427.502 -0.628 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 784005057 YIQJHDABZDZGQV-UHFFFAOYSA-N 433.396 -0.229 50 20 IBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(=O)c1 790466122 KZHZUQLDRZZGRB-IBGZPJMESA-N 436.490 -0.381 50 20 IBGD COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NNC(=O)CN(C)C 806978117 NFPBNPZQFSKVLZ-UHFFFAOYSA-N 431.243 -0.108 50 20 IBGD CON=CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 809570692 ZTCKGXAHKZFXHE-CYBMUJFWSA-N 428.467 -0.268 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 816872438 JPOCGRJUUBGVMG-AWEZNQCLSA-N 441.473 -0.081 50 20 IBGD COCc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)CC2 1319253472 IJPKPHKGGJBHEJ-NSHDSACASA-N 436.498 -0.323 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032584 UTLDKKLLXKCDCF-XOBRGWDASA-N 442.480 -0.944 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1787507575 FTOYHCAUILQNQX-YFRLFMDHSA-N 435.481 -0.891 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC=CO3)C[C@@H]21 1788611329 UTXIYMOQGBSPSA-RUGDWHBFSA-N 429.477 -0.029 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C1(O)CCC1 1792475698 FEDARAPOVBWOTK-VWPFQQQWSA-N 431.493 -0.561 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793430404 KYYDYRAYVNMDSQ-SQXPGEILSA-N 432.481 -0.779 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(F)F)n1)C2)c1cccc(B(O)O)c1 1795740262 LQXGTQOAEFNZJB-YWVIFJGQSA-N 434.208 -0.525 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1SC(=N)NC1=O 1796189274 SHEVSFIOTJPSEX-IRHMCKRBSA-N 444.322 -0.579 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797792557 COHUWCSOBJUFQB-YIDVYQOGSA-N 434.873 -0.675 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)ccc1O 1799792170 MWVINFUYTAOZIJ-HBCWATKFSA-N 426.234 -0.705 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800530413 DMYYMNFXLIHKQQ-WFSSLHCQSA-N 432.481 -0.765 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362170 FAHPXZJYJXVXGY-WIYYLYMNSA-N 433.277 -0.022 50 20 IBGD CC(=O)NCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475982 YEPHVUKXBXPJRR-QGZVFWFLSA-N 427.270 -0.078 50 20 IBGD N=C1NCCN1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050632 BCAPDOXLCAFURX-IBGZPJMESA-N 441.341 -0.560 50 20 IBGD O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834635259 YRVSYRGXKOYYKB-GOSISDBHSA-N 430.977 -0.120 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797932 NLEFHPQUGNKANC-HRAATJIYSA-N 444.385 -0.075 50 20 IBGD C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1(F)F 1835941471 LDMIWAYNPUEULT-OALUTQOASA-N 438.236 -0.518 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836013134 PNRWMMRLQHWOLS-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1837383414 IKANGBNBGJWPLD-UHFFFAOYSA-N 435.529 -0.200 50 20 IBGD O=C(CN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199895 YYXDNDJTZZACJV-GOEBONIOSA-N 438.294 -0.535 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839224921 RXJZTEYEBMZECN-IERDGZPVSA-N 447.297 -0.763 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237928 KMFXDRKVXCWFLX-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840186762 DWRKZUGGQKIZEH-NRFANRHFSA-N 439.557 -0.698 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1844288070 GNICJBPVFKRQEZ-HNNXBMFYSA-N 426.470 -0.942 50 20 IBGD O=C(COC(=O)c1cnc2sccn2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 729117280 VTSUKEUBSVCYTB-CYBMUJFWSA-N 430.398 -0.100 50 20 IBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 730577719 YNVAHDMVEAHBHR-HNNXBMFYSA-N 428.536 -0.445 50 20 IBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C(=O)N1c1cnn(C)c1 743588514 BASBMVGABGKZOC-BBRMVZONSA-N 441.496 -0.049 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764398323 FGGWZVDGFUHGIO-NSHDSACASA-N 432.433 -0.170 50 20 IBGD CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COCCO2)c2ccc(Cl)cc21 764426045 SHMHXAQHWVBTJO-IAQYHMDHSA-N 438.868 -0.189 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1)CC2 783425460 CHSRHOUOXZYUAA-QGZVFWFLSA-N 444.535 -0.928 50 20 IBGD CN(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)S(=O)(=O)c1cccnc1 916123926 WDDBWDVSSPHBFZ-UHFFFAOYSA-N 430.446 -0.590 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cnns1 917387940 SBNRZCNKNYXNCX-UHFFFAOYSA-N 425.492 -0.047 50 20 IBGD CNS(=O)(=O)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1347954493 LPLJORIJXPXALR-UHFFFAOYSA-N 432.528 -0.652 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137177 ZXQFRJIBCSVQGT-CHDRTPPGSA-N 440.460 -0.159 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCO1)C2 1779373444 SBRWRQXHMXBDFT-CBGDNZLLSA-N 431.493 -0.008 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1783879479 VOQCBZYFHVBJKJ-FCEWJHQRSA-N 441.916 -0.459 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1783935607 WJROVNSCOXVUIL-HXUWFJFHSA-N 445.480 -0.749 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1783937542 UPJWCXVKTPAEAG-FQEVSTJZSA-N 434.497 -0.518 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784533409 XVVANMOXOQDNQP-VRMLFSPKSA-N 442.480 -0.368 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccn34)C[C@@H]21)c1cccc(B(O)O)c1 1786983317 NGNWVIQUPMMABB-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD CCc1ncsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798761821 BPZXMKGUQVGBCF-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnn1 1807372170 BKTFQAPZVOEHNX-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C=CCN1)CC2 1819796968 KIJGQOGXQIQBKM-HZMBPMFUSA-N 427.490 -0.105 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830625977 FNEPDMXBEFQTLK-KKSFZXQISA-N 449.508 -0.838 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830719319 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436.432 -0.860 50 20 IBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c(C)c2)CC1 784000112 WGIJVXJSKIVUMV-UHFFFAOYSA-N 430.509 -0.155 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(NCC3CC3)nc2)n(C)c1=O 800693600 WKKNLNOKOBAWAJ-UHFFFAOYSA-N 426.437 -0.888 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 816872439 JPOCGRJUUBGVMG-CQSZACIVSA-N 441.473 -0.081 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)NC1CC1 919808220 SWRLHBRXPTVYEY-NSHDSACASA-N 439.450 -0.579 50 20 IBGD COCCn1nnc2c1CCN(C(=O)NNC(=O)c1csc(N3CCOCC3)n1)C2 1326196790 JACJDWYEVRQDQI-UHFFFAOYSA-N 436.498 -0.370 50 20 IBGD CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781793489 VYEQLGVHEGSVBO-WIYYLYMNSA-N 431.298 -0.980 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnsn3)[C@H]2C1 1785659140 BQUVTGVBVPMQEP-XEGUGMAKSA-N 431.478 -0.556 50 20 IBGD CC(C)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(C)C 1786959870 GUCWVARRCLJBRE-ZIBCJSCZSA-N 445.369 -0.018 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1791291312 RGTMJQORIGJDRP-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2)[C@H](O)CCl 1792974859 DVAOWMRONNCRKM-LNNJMGJISA-N 440.884 -0.818 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793879277 VMABLQAUTRYDQF-ZWUHOBOKSA-N 443.884 -0.204 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(B(O)O)cc1 1794276614 AQBZNVRFQGLARU-MUJYYYPQSA-N 427.226 -0.577 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360508 HVWZDLZLTSSFEX-SMDDNHRTSA-N 442.306 -0.261 50 20 IBGD CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793041 IRZKGICITHUZLD-SECBINFHSA-N 431.478 -0.497 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830029166 DNGYDMFVCJGZAB-VQYZLWMVSA-N 447.492 -0.387 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737244 FROUWHWQSCCCHT-ROYATCLZSA-N 444.912 -0.202 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012940 LMBKKMPMIGADNZ-CXAGYDPISA-N 448.314 -0.074 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823063 HFQTZGYUFNUGON-CXAGYDPISA-N 449.346 -0.065 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253478 KBRRGELKZHYFGI-DAFSOKFYSA-N 429.901 -0.469 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837384788 ILLRTQPOWFDIEI-GLJUWKHASA-N 434.921 -0.596 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837413167 QLCLWGNGRPRBMS-LAUBAEHRSA-N 445.476 -0.552 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840031702 ADMWDMHNBICGBP-LRDDRELGSA-N 432.319 -0.934 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165902 RQDFOAFIQPOQFG-GJZGRUSLSA-N 428.409 -0.695 50 20 IBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732958870 NSAKUYQSKUJYBT-CQSZACIVSA-N 427.439 -0.179 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 742035762 YPMNHCPGYMRYOR-LLVKDONJSA-N 447.481 -0.859 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753612078 QWSLJDNOASOGDK-OAHLLOKOSA-N 445.519 -0.564 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 762739126 XZAIWBAXHQHWLM-UHFFFAOYSA-N 426.480 -0.595 50 20 IBGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)c1 763600748 IDTCEYWZHSDVLU-UHFFFAOYSA-N 445.480 -0.037 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C(C)(C)O)CC2)cc1 768255742 OPBJIXSPHBHNDS-UHFFFAOYSA-N 440.522 -0.474 50 20 IBGD O=C(NNS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F)N[C@H]1CCS(=O)(=O)C1 779834675 WVODKTPKHKAAJW-YFKPBYRVSA-N 447.825 -0.004 50 20 IBGD O=C(COC(=O)[C@@H]1COCCN1CC(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1 801346056 MXHDUPJKMDZXNE-SMDDNHRTSA-N 447.366 -0.220 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)ccc2O)c1 810449540 UHLZPLDUTJOICR-UHFFFAOYSA-N 432.256 -0.372 50 20 IBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033631 CNHSKBBLTQPAOT-UHFFFAOYSA-N 438.466 -0.071 50 20 IBGD COc1cccc(C[C@H](C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n2nnnc2C)c1 816878568 URQCRLXZKVCFGW-GDBMZVCRSA-N 425.453 -0.225 50 20 IBGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1779561333 XPPSEJHAYNPASO-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCCO3)[C@H]2C1 1783611997 IXXAQFXMYUKGQE-RUGDWHBFSA-N 431.493 -0.153 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1783935344 QJOCQBXUIQRFIR-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21)[C@H](O)CCl 1784092017 DELSCDATWVSGRS-AOEXVQCMSA-N 427.929 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1791291099 YVPXGMSKXAPHRF-BPUTZDHNSA-N 447.492 -0.223 50 20 IBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1795259218 UBZORMIBABBXJD-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741268 QLFKDFICOGCVBF-JJAZEVLHSA-N 434.254 -0.869 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799358272 DYVJTVLTZDLNON-JJLQDPRZSA-N 431.331 -0.124 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H](O)Cc1ccccc1 1800632838 LADMDUFVWWAGMF-YHELAOLJSA-N 438.289 -0.827 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801289419 UXXQDRVUTAYTSI-IMPMIVQMSA-N 441.916 -0.700 50 20 IBGD COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CCC1 1801614557 DYCXPIFORCZOTD-ZSBFGKGUSA-N 431.493 -0.153 50 20 IBGD COC(=O)C12CC(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)(C1)C2 1801875702 JYBKLZNPEZXSJQ-JVBCMJPNSA-N 426.278 -0.039 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825215722 FNBVNELTYJMEID-HZMBPMFUSA-N 430.295 -0.427 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1C1CC1)CCO2 1830497074 XETODTJCTIJZTN-HOIFWPIMSA-N 443.504 -0.199 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831464139 JUFCDCHUDZKSSN-KEYYUXOJSA-N 440.946 -0.623 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832803199 IWEJNUSZYAHKGK-WMLDXEAASA-N 445.860 -0.499 50 20 IBGD O=C(CCN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834822266 FBURKQKWGIRLHX-SFHVURJKSA-N 448.358 -0.050 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836749237 VERRLVHPPVXFKM-WVBUVRCRSA-N 430.310 -0.127 50 20 IBGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CCN1 1839202699 NDDZUVPGFLMKFO-KFNAQCHYSA-N 436.278 -0.341 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664729 FTZWYJASBTYUMU-CXAGYDPISA-N 443.298 -0.517 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839963508 MOEFUNXAGAJBTF-DCGLDWPTSA-N 449.346 -0.791 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845437443 PEAZRBXGCGAPLI-HNNXBMFYSA-N 433.270 -0.974 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 727240565 PTPIVTJIDOQTTH-UHFFFAOYSA-N 427.527 -0.465 50 20 IBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Br 731104662 VFYBLRMXSHLLSP-SSDOTTSWSA-N 441.281 -0.109 50 20 IBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)CNC(=O)c1cccs1 731986532 JMZWTJVBLNGBFI-AWEZNQCLSA-N 437.522 -0.661 50 20 IBGD COc1cc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc(OC)c1OC 748095308 UWTFSQFKIYOTDP-UHFFFAOYSA-N 446.482 -0.682 50 20 IBGD CO[C@H](C)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756317661 ZYRMVFQZWHAUND-LLVKDONJSA-N 429.437 -0.006 50 20 IBGD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2C)c1 764229965 GOUDQISRQHFOIZ-ZDUSSCGKSA-N 436.494 -0.179 50 20 IBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 770126563 CDIZRBOGRTZCSN-UHFFFAOYSA-N 435.528 -0.995 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@@H](O)c2ccc(Cl)cc2)n(C)c1=O 772813203 UNKCTKJADVPQKB-GFCCVEGCSA-N 434.840 -0.642 50 20 IBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 779535547 CTBHTFCTLOPTSM-SUMWQHHRSA-N 439.538 -0.659 50 20 IBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1Br 797005173 RTYQUFKCHVUZOW-SSDOTTSWSA-N 439.263 -0.080 50 20 IBGD COc1cnc2ccccc2c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 801927573 VJYJPGHOXXSXBL-UHFFFAOYSA-N 437.416 -0.548 50 20 IBGD COc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028370 JZQDXKAWNAWHOC-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD Cc1nc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779823874 ONSLQNBIEDEEEH-OAQYLSRUSA-N 427.241 -0.034 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979624 DZWCFSFDBHDWKW-JVPBZIDWSA-N 449.276 -0.455 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(F)n1 1788868470 NBEDEOPBCKYVJU-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291449 VOMZHPPIRJLYRR-KUVFZILYSA-N 430.571 -0.502 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1792870377 FWNKNHGUVPEUHW-DYNIEEOBSA-N 429.319 -0.060 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1796443989 TZTQMEVDSLVWAR-NDMOTNCASA-N 428.453 -0.998 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)N1CCN(C)CC1 1798442063 UPGJQOLGHVESLU-NXOAAHMSSA-N 443.552 -0.427 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359611 BFFNXJYPBBXUQE-OXQOHEQNSA-N 447.260 -0.522 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COCCO)n[nH]1 1820926540 IXLFDKGIYOJDDB-OAHLLOKOSA-N 431.453 -0.277 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833447058 YXCHEMLKHPLOIG-ACJLOTCBSA-N 430.889 -0.248 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714904 RAPAFWFMBVAIOJ-KXBFYZLASA-N 427.574 -0.085 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839965728 IPBIJOWPPZYNCB-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)[C@@H]1SC(=N)NC1=O 1844264217 USHKHPIOHODDJO-MFKMUULPSA-N 445.505 -0.695 50 20 IBGD O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 11482386 FYXNCUFBQKJZOH-MRXNPFEDSA-N 439.380 -0.187 50 20 IBGD COc1ccc(S(=O)(=O)NCCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 728177872 MRNLGFKTEAGJSB-ZDUSSCGKSA-N 449.551 -0.136 50 20 IBGD CC[C@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 728944353 ANXOOWCUHDNJLZ-AWEZNQCLSA-N 429.485 -0.451 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 731848826 ODALPEANBCVOAI-LBPRGKRZSA-N 425.511 -0.070 50 20 IBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739413437 QTXGYCUPCYEARI-HNNXBMFYSA-N 429.520 -0.018 50 20 IBGD O=C(COC(=O)Cn1nnc2ccccc2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 753886942 NWZBMAJOYKJZJO-MRXNPFEDSA-N 439.384 -0.678 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 760816288 VLUUJJGPQISKIB-VHSXEESVSA-N 428.458 -0.036 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 795151194 HWUQRAUNZKMDRH-BQGCOEIASA-N 436.490 -0.068 50 20 IBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 799520433 ZBSDZDUBGREODD-UHFFFAOYSA-N 427.460 -0.011 50 20 IBGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1CCOc1ccc(F)cc1 801819095 FCFBWLNBQGWLGM-SNVBAGLBSA-N 443.461 -0.105 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1778857398 JEBOWASJCQCFMZ-VIRVFLBCSA-N 427.310 -0.850 50 20 IBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778857400 JEBOWASJCQCFMZ-XNGFIGEISA-N 427.310 -0.850 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066636 CLIUXGFXAGYASL-JOCHJYFZSA-N 434.537 -0.112 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(CO)o1 1779708993 RMYUKRNLYLUDHQ-DENIHFKCSA-N 442.277 -0.107 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782641917 QKZHIEDEQNNBEC-FQEVSTJZSA-N 434.497 -0.682 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783533087 QNHPJAVHDRPZCV-SJCJKPOMSA-N 425.088 -0.407 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785451077 VYVLMVLFOWFFOH-UZLBHIALSA-N 425.530 -0.506 50 20 IBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1787058223 QIERMIZFPPLWKR-XIRDDKMYSA-N 444.322 -0.638 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1788764887 BVHQGYHWDJTYNT-IHRRRGAJSA-N 426.546 -0.631 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)no1 1788986623 ZDDFUGFQGFRCMQ-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1801009008 LXWSKAHWWQHMEQ-MFKICJERSA-N 442.520 -0.161 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363467 FBRBXIDMWPRWIU-WIBUTAKZSA-N 438.293 -0.408 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980180 JYMFCZAPQTWGPM-OAQYLSRUSA-N 446.309 -0.173 50 20 IBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810306329 WMDMSTNQUOCMQP-HNAYVOBHSA-N 439.476 -0.464 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@H](O)CCl 1814867405 KDCFOQXGTPOGNW-UONOGXRCSA-N 447.945 -0.268 50 20 IBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)CC1 1818890290 ODVHUEJXAXUUHZ-GXTWGEPZSA-N 443.957 -0.181 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1822411018 WCUBYLHDWJEMED-QWHCGFSZSA-N 448.484 -0.627 50 20 IBGD O=C(Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935759 PTXYFABROACOLH-HSZRJFAPSA-N 438.289 -0.321 50 20 IBGD O=C(O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202408 FACNSVARPHNYKI-OCCSQVGLSA-N 443.291 -0.049 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839623142 OWLQDAKDOLDTLC-SCLBCKFNSA-N 441.847 -0.462 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840152541 LNPYNZSSBIWZIC-SCLBCKFNSA-N 438.872 -0.552 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840184161 AMRLVBLWDNIRNA-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1840184967 IIKKILSHCKZTEC-LMVHDODDSA-N 438.550 -0.309 50 20 IBGD CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416164 HNTSKQHJMVWGKY-YDZHTSKRSA-N 433.538 -0.192 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 732952015 HJYHCMIPQQPUAV-ZDUSSCGKSA-N 425.423 -0.826 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2nn(CCC)c(=O)c3ccccc23)C1=O 748530101 OKFBHGVWVDLWGN-UHFFFAOYSA-N 440.416 -0.456 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)n(C)c1=O 756518361 UJADZPRBWANMOY-UHFFFAOYSA-N 437.420 -0.323 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2csc(S(N)(=O)=O)c2)c1 761532234 CQDHLQXESKMBEU-UHFFFAOYSA-N 432.505 -0.279 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 763681397 LGTZMMFOUQYOMW-UHFFFAOYSA-N 436.446 -0.102 50 20 IBGD CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767849659 IRDBGZUSFBRGIL-UHFFFAOYSA-N 445.317 -0.425 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)nc2n(C)c1=O 794076961 PDWFOYCBZZETSR-UHFFFAOYSA-N 440.416 -0.680 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 795337333 ZGJOAMIIYLHBNR-UHFFFAOYSA-N 433.490 -0.142 50 20 IBGD CCn1nc(C(=O)NNC(=O)NCCn2cc(C(=O)OC)nn2)c2ccccc2c1=O 807250463 DQOPBDBGCKJVEI-UHFFFAOYSA-N 428.409 -0.561 50 20 IBGD Cn1cnnc1COCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 814698471 GFPUWQUKBHGDMU-UHFFFAOYSA-N 436.494 -0.033 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 920423831 GSIVTAYWXSMAPO-OLZOCXBDSA-N 425.463 -0.743 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029219 OBFAJKUPFAFHTR-XCLFUZPHSA-N 432.481 -0.957 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1783933383 IXLUZLHVHXHXFB-WIYYLYMNSA-N 439.557 -0.260 50 20 IBGD CC1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1784316556 XIYWVZHMOJKTTH-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD O=C(CC1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786735504 XHMSQPSDYWCQJG-IHPCNDPISA-N 430.310 -0.224 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603854 VOAWFGZDSSFLKW-WBJIMESSSA-N 436.557 -0.189 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1788610638 NRTLHAINXRNKJQ-XEGUGMAKSA-N 429.437 -0.979 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2)[C@H](O)CCl 1792976235 RDXPPHGOKNYRFP-LTCOOKNTSA-N 438.912 -0.279 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1ccncc1)C2)c1ccc(B(O)O)cc1 1795732967 SVBSFYVLSLZKOU-HATOLVCRSA-N 437.305 -0.013 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cncn1 1813399736 FROCMSQBYUFPDF-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830719316 BUPKTPRLXDZQSB-HRLGVUPISA-N 432.901 -0.368 50 20 IBGD CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)COC1 1833140597 GHBLPNQFMWWXCN-UHFFFAOYSA-N 429.326 -0.412 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1)[C@@H](O)CCl 1833307948 FCWSKODQNZFQHI-INIZCTEOSA-N 442.904 -0.037 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833521294 UJNMZZJPQKUPJJ-OAHLLOKOSA-N 444.341 -0.937 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccnn3C)CC2)CC1 1834214480 KSOCZGXDAOIUPO-UHFFFAOYSA-N 433.557 -0.022 50 20 IBGD N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835931340 NDCLNYHVSSSPCU-QHCPKHFHSA-N 449.272 -0.378 50 20 IBGD CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457009 VRIJKXFVZRFDQC-IERDGZPVSA-N 449.508 -0.838 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1840345300 HOFIUYWVNFDDKH-VQIMIIECSA-N 428.917 -0.054 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)C1 1845742224 OEQHXEAFDYWHBI-HXUWFJFHSA-N 432.289 -0.050 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1846384257 VWIOZODQRAYUAB-UHFFFAOYSA-N 426.367 -0.082 50 20 IBGD Cn1cccc1C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 726541097 SCANNHQEPRSOHY-AWEZNQCLSA-N 442.519 -0.432 50 20 IBGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729274717 BBCUODICRVLTCG-VIFPVBQESA-N 428.496 -0.673 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1Cl 729275121 LNWHPWDUFRUFMX-VIFPVBQESA-N 426.904 -0.907 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c[nH]1 765118093 IQAHMTPXNPYSCI-UHFFFAOYSA-N 449.489 -0.431 50 20 IBGD COC(=O)N1CC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 770431742 WTKMJZPUATXLIV-UHFFFAOYSA-N 425.467 -0.134 50 20 IBGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 773724178 NHFKKPYEYBGAKP-UHFFFAOYSA-N 449.493 -0.497 50 20 IBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 786687754 JRDXEUKMSQJVHJ-ZIAGYGMSSA-N 438.506 -0.240 50 20 IBGD CN(CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(=O)(=O)c1cccnc1 1318317674 HDMFCOIZHIRUBM-UHFFFAOYSA-N 433.494 -0.444 50 20 IBGD O=C1CC[C@@H](C(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 1330150399 TWOJZYRFYKSIFB-ZDUSSCGKSA-N 427.508 -0.696 50 20 IBGD CCN1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779035695 LFIVQZZGPPAZDC-QFIPXVFZSA-N 444.536 -0.140 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1779202277 ZFDMAYWDQZHZMV-HOPMXRPOSA-N 435.905 -0.181 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cl)COC)C2 1779202278 ZFDMAYWDQZHZMV-SCGCMHLBSA-N 435.905 -0.181 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783342430 LQYYZQKVXHTVKN-QAPCUYQASA-N 439.115 -0.017 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783876332 OJGXRCYBMDNIQV-XIKOKIGWSA-N 425.873 -0.676 50 20 IBGD CCn1nc(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984630 XGFUQBMVKSTVRS-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cc2C1 1792983444 HMZIMFSJKRYDIS-DLTLXFJOSA-N 425.917 -0.479 50 20 IBGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cs1 1794078015 ISXWTIAKCJCWMM-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cnn1C 1794891926 CYXJOBZPGSXTON-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3n[nH]cc3c1)C2)c1ccc(B(O)O)cc1 1795734857 ZQLQKALCNSRFNA-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nccc2[nH]ccc12 1796205332 JCDHFTXSCTWQKI-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798747333 WXDDEPMCVNQADM-CULMDFNYSA-N 443.420 -0.562 50 20 IBGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(F)c1 1801009579 OMBGIGAKRUTADB-IVWMJMPLSA-N 437.472 -0.195 50 20 IBGD O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1806814029 MDUJCOUDLMBFCU-ILZDJORESA-N 436.277 -0.640 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cncn1 1813399739 FROCMSQBYUFPDF-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347937 YCOQVRZAEMXLEN-ZDUSSCGKSA-N 445.310 -0.680 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733417 LSABUTXASAORNX-RDTXWAMCSA-N 430.841 -0.527 50 20 IBGD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1834047104 SPXYGVVVDAUSNJ-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD O=C(/C=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927138 IKAWVDOCEXBOQD-VQKOGROQSA-N 440.261 -0.257 50 20 IBGD Cc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929622 YWKJYAMLNQYSAU-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199917 ZMLGHZZUAHCJJZ-ZFWWWQNUSA-N 427.267 -0.204 50 20 IBGD NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1840645771 LPPJAZQLGFWZQZ-DNVCBOLYSA-N 425.869 -0.545 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2c1=O 14044628 MTGPYDRXMDUEJF-UHFFFAOYSA-N 436.432 -0.118 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 732197765 ZECHXIMRSJIYLD-LBPRGKRZSA-N 443.482 -0.144 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cccc(OCC(N)=O)c2)c1 745900345 VOSHVBBGYINYOW-UHFFFAOYSA-N 449.489 -0.055 50 20 IBGD CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N1CCOCC1 745986628 ZUERKEPEBMZYAE-HNNXBMFYSA-N 442.494 -0.211 50 20 IBGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 746594597 QPZPJHPYNDONQR-LLVKDONJSA-N 440.507 -0.240 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1=O 748547620 WMXQKJZXFIELCW-UHFFFAOYSA-N 436.450 -0.974 50 20 IBGD Cc1ccc(SCC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749352245 HTRCNPNPWDBQBO-UHFFFAOYSA-N 429.568 -0.005 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 757620042 ZVLREHFSHWROLU-LLVKDONJSA-N 427.483 -0.314 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 763630259 JIWQLYDUMUWRFO-UHFFFAOYSA-N 440.416 -0.894 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3ccoc3)cc2)CC1 764160332 UJUKKTGVBWOECA-UHFFFAOYSA-N 435.462 -0.385 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(F)c1 764234274 XEMHWBTXODEECB-LURJTMIESA-N 425.236 -0.388 50 20 IBGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764435865 YDDIQPVKVIQKSR-DOMZBBRYSA-N 442.494 -0.594 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 766650488 UTCFVFWFXKJADX-HXUWFJFHSA-N 444.580 -0.330 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766663725 MQLOCJUUEXGUDZ-CYBMUJFWSA-N 431.946 -0.457 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 779520765 RIDWVDFWTMQQDM-WFASDCNBSA-N 428.511 -0.525 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779816935 IJLIKVDDTAMZLF-IBGZPJMESA-N 445.867 -0.114 50 20 IBGD COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)nn1 1779957076 BGJPGBOADUYFFX-IIBYNOLFSA-N 448.524 -0.014 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(CO)on1 1780215377 DQYSEHNOCOIKDN-WIYYLYMNSA-N 443.265 -0.712 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780771504 JAWYWZFCCXPIHK-NGOBNIPXSA-N 437.310 -0.216 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781367856 PTJCRZBORBDRRI-SAQSXPLXSA-N 444.492 -0.429 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213410 PTWLYOYAYOZSJP-YYFZDKIDSA-N 425.530 -0.602 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1783935070 NOYGBTMNDJRMNV-IIBYNOLFSA-N 433.509 -0.388 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937842 YBAWZDLULXXVOG-AUUYWEPGSA-N 428.486 -0.249 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784487998 DHXISYQCEFMJON-AOMKIAJQSA-N 439.277 -0.328 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1791256808 XUGCYKYVISYAGB-XQLPTFJDSA-N 442.900 -0.509 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1792970412 CDMINZXVEHCOKN-GMKVZWAMSA-N 438.525 -0.462 50 20 IBGD CC(C)(C)n1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794417414 AJHFZFYHWRDGSN-HGKCTWBKSA-N 440.309 -0.165 50 20 IBGD COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1F 1795734440 ICUXHIRKKHEHOZ-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)N1CCN(C)CC1 1799348762 OTHPBQMNXBDFCV-UXXRCYHCSA-N 435.338 -0.098 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473972 IYBAVJNWGCWTCU-INIZCTEOSA-N 448.310 -0.170 50 20 IBGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1827054382 BCLLMKRXTCMSKI-KXBFYZLASA-N 440.313 -0.153 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(C)(C)C 1830725222 HLQCNMDPAWXEDA-QMTMVMCOSA-N 433.933 -0.407 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1831640477 MOQWXERVLIEGCY-ACJLOTCBSA-N 430.889 -0.598 50 20 IBGD CC(C)N(C)CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801560 XPKBJHJVBJOULG-UHFFFAOYSA-N 444.385 -0.108 50 20 IBGD C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933887 IDLHFEPFSJBYQD-JOCHJYFZSA-N 428.294 -0.370 50 20 IBGD C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933889 IDLHFEPFSJBYQD-QFIPXVFZSA-N 428.294 -0.370 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1837459406 FKCPFRNEJFZBRH-FQEVSTJZSA-N 443.464 -0.900 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030264 HGQXARZMPFBMFI-WFASDCNBSA-N 441.344 -0.339 50 20 IBGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840184699 BKRSUOFOLDHYIU-FQEVSTJZSA-N 437.497 -0.645 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 731963756 FXKDIWSFSRECNW-NXEZZACHSA-N 430.464 -0.157 50 20 IBGD CCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 755473248 TYDGEWXTKNEMOR-UHFFFAOYSA-N 445.436 -0.306 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1S(=O)(=O)NC1CC1 756710382 BUPNDMIAAUROHU-LLVKDONJSA-N 447.539 -0.165 50 20 IBGD Cn1c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1=O 756871071 OHTSUAPIDNEIQA-UHFFFAOYSA-N 448.501 -0.200 50 20 IBGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758038008 BPEANCRFYJFXQQ-NSHDSACASA-N 434.540 -0.229 50 20 IBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1 763745585 GUGABOZKWZLRCA-UHFFFAOYSA-N 431.474 -0.127 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 764230760 KUGBFAOYHYNYHZ-LBPRGKRZSA-N 446.489 -0.375 50 20 IBGD Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231028 LOJNAICEVDWCBR-SNVBAGLBSA-N 425.467 -0.633 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764285865 NXYVIASYRDQXAU-KRWDZBQOSA-N 440.460 -0.094 50 20 IBGD Cc1nnc(-c2cccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)o1 766645386 TXKSBKZYSATUPQ-UHFFFAOYSA-N 438.404 -0.747 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 768644472 BUCQJAGBARNDRU-SNVBAGLBSA-N 431.496 -0.358 50 20 IBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)[C@@H]1COc2ccccc2O1 791294114 FFKDSGBAFKVMBA-AWEZNQCLSA-N 431.430 -0.171 50 20 IBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915616333 HCEKZYKVAQUOBW-UHFFFAOYSA-N 433.508 -0.707 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778736508 UNJATYHLCKTCAH-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cn1 1779760128 CDYKCWUKVRZHPI-QFIPXVFZSA-N 438.293 -0.415 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984808 LOIDYEIJFLSTEL-SZMVWBNQSA-N 425.250 -0.626 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984925 ZKMWKIABINJWTN-CBVHJVASSA-N 431.298 -0.239 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791839652 YUONOTADEZMQLB-OOWFEVOQSA-N 429.477 -0.829 50 20 IBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793085653 CJHYSGWHURZUTJ-QKGCVVFFSA-N 449.932 -0.549 50 20 IBGD Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1Cl 1798345594 QSGBIKDVTDJGAF-QHBPRCKVSA-N 447.883 -0.411 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830866963 NXJDMIQBLZEAOT-NYYYDFRBSA-N 449.508 -0.406 50 20 IBGD Cc1c[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928778 YWKSPXSTSZMCBI-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648774 UJAHIHCUMDYOMK-VKJFTORMSA-N 429.905 -0.376 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837732172 SDOWSTTWPVVGFG-APWZRJJASA-N 445.589 -0.555 50 20 IBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1838193856 ZOXJCFRWCPMDCN-BEFAXECRSA-N 426.901 -0.183 50 20 IBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839090526 FFOBCOIJQZPFHO-XMDBHEJHSA-N 431.493 -0.199 50 20 IBGD Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182744 RVSNKVHRTRWWBR-FQEVSTJZSA-N 436.513 -0.979 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203742 QFZISOJZEHPTTM-NHYWBVRUSA-N 445.822 -0.625 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3c[nH]nc3C)c2)CC1 732083008 SQKWWVGDOYDWFO-UHFFFAOYSA-N 434.478 -0.354 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 764225600 AZPGEXPRUWIRND-SNVBAGLBSA-N 442.885 -0.392 50 20 IBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 787380127 QYFGCPZDDJKGEU-ZFOVBUMHSA-N 432.502 -0.253 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1F 806973992 OQZJQKOYLCDHDN-UHFFFAOYSA-N 449.420 -0.230 50 20 IBGD CC(C)NC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916268568 SPNOTMZKJWHIAT-UHFFFAOYSA-N 441.510 -0.434 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 1251451650 KEHMAXOCNCVHLZ-UHFFFAOYSA-N 428.478 -0.020 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1321601563 OCDWFGKBYZJCLX-MRVPVSSYSA-N 437.446 -0.399 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778443399 GZVPZIOQTHHQPU-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785864463 YXISQZLVJWVBKB-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792484070 QDNZXCHENCTWIC-GNXNZQSNSA-N 425.515 -0.844 50 20 IBGD CCc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740305 QBGIMKNSXLVZSL-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1807361790 XROBGEDLQZTFMC-SZMVWBNQSA-N 438.249 -0.811 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cnc(O)nc3O)C2)CC1 1810867386 MNXOLQNDUGARHI-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473046 AWEYERCTWVVUFA-HNNXBMFYSA-N 434.283 -0.560 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCN1 1826216520 QSIBZVILWNUYKP-OCCSQVGLSA-N 442.306 -0.425 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1830733578 PVCFCLOGPJNBRB-ASKKUZCQSA-N 443.928 -0.557 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1831640482 MOQWXERVLIEGCY-SCLBCKFNSA-N 430.889 -0.598 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccs1)CCO2 1833933812 MPNCCPDRSVFLLL-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834363597 CILIIZKBJRDZRA-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835441335 KABXVBZUVKMHEU-GOSISDBHSA-N 448.358 -0.050 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1835939916 NMRQWSYILQRKQK-KFKAGJAMSA-N 440.664 -0.639 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1837456846 OGXYUQBOKDOUIH-LJQANCHMSA-N 446.489 -0.475 50 20 IBGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)CCN1 1839202698 NDDZUVPGFLMKFO-FFSVYQOJSA-N 436.278 -0.341 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840154330 SUKMHUUMIVRBIZ-FUHIMQAGSA-N 446.976 -0.668 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840183408 CNDZJIOBHBMUBU-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD Cc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183419 DBYVLCIMDQIRCG-HXUWFJFHSA-N 437.497 -0.266 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1840183595 NWHOWKIZXIUHOC-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1840187003 HUSFOANNGBRSLL-HXUWFJFHSA-N 442.582 -0.041 50 20 IBGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c2ccccc2c1=O 735583748 DATOKERUUDQTKX-OAHLLOKOSA-N 438.448 -0.101 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 758056757 STKYJROHLDWCDK-GFCCVEGCSA-N 435.524 -0.276 50 20 IBGD Cc1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 760439238 IBMDSAJQVCNKHX-UHFFFAOYSA-N 434.453 -0.384 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)n(C)n3)CC2)cc1 766637150 YWTFPHAAMYWBLZ-UHFFFAOYSA-N 434.522 -0.196 50 20 IBGD Cc1ccc(Br)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766638072 XGCKOCNMFYMSAX-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O 771239558 AEGABUYNWMQNBR-VOJFVSQTSA-N 438.462 -0.956 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2cccnc12 773496443 MCFAIXRAHBWADQ-QMMMGPOBSA-N 445.404 -0.140 50 20 IBGD O=C(NCC(=O)N1CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 776637464 YYDSIEKLDOGYRP-UHFFFAOYSA-N 439.494 -0.726 50 20 IBGD Nc1nc(Cl)cc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 779373146 ARMHMWDZKRTNMJ-UHFFFAOYSA-N 425.858 -0.410 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 801109088 UVIHWMGTGBGHIY-IBGZPJMESA-N 431.449 -0.303 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2nnnn2C2CC2)c1 848970400 UMZMXCBSGUZRJK-UHFFFAOYSA-N 425.496 -0.188 50 20 IBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nn1 1319215823 XQFBXZQKZMXECR-UHFFFAOYSA-N 437.482 -0.856 50 20 IBGD CN(C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1)S(C)(=O)=O 1321371456 JCHSSMKKSQEQMX-UHFFFAOYSA-N 446.555 -0.310 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1779031235 OVORPRZRIARTGZ-IBGZPJMESA-N 430.490 -0.172 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N1C[C@@H]2C[C@H]2C1 1779031748 FLWLHXFUODZBGO-YDGQEPMXSA-N 442.520 -0.531 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1783935336 QIIDZDLALQEJBI-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD O=C(NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)c1ccc[nH]1 1784085228 DIZKQMSCHNSYBB-SDADXPQNSA-N 426.901 -0.286 50 20 IBGD Cc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1F 1785759160 BWBKXDXTPSZWAY-BPUTZDHNSA-N 430.245 -0.556 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3coc(Cl)n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984551 NUPVYJWDMZKIBW-NOLJZWGESA-N 433.657 -0.085 50 20 IBGD O=C(COc1ccc(O)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792775435 XZHXIMWEFJITCH-VPTLXERWSA-N 440.261 -0.646 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739956 VUEMBZQMIKRRTK-HRJSJKBJSA-N 429.109 -0.194 50 20 IBGD O=C(COCCO)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808600075 JVAUMPRVDREGKG-FXAWDEMLSA-N 427.266 -0.910 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cnnn1 1813073256 IGGIHBPTGVNYQA-OGWOLHLISA-N 443.512 -0.292 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cnnn1 1813467905 BZBAZXHBXZKHGX-BJZITVGISA-N 449.280 -0.671 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831697112 PXNGZCZYKZTNQH-DNVCBOLYSA-N 433.933 -0.141 50 20 IBGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836468971 YWSOUYIHGZVMFF-AUUYWEPGSA-N 441.868 -0.478 50 20 IBGD Cn1ncc(Br)c1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843604506 IJVOMBPKBGEDNJ-UHFFFAOYSA-N 447.098 -0.007 50 20 IBGD CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 15756571 CYNPVAIKHGVDPY-UHFFFAOYSA-N 446.894 -0.030 50 20 IBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 726441921 OPBIMEXMWJHRNG-UHFFFAOYSA-N 432.491 -0.381 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)c2ccccc2c1=O 742774934 WYRVVDLVOAFKER-UHFFFAOYSA-N 426.437 -0.268 50 20 IBGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 743885271 RTRFVHRISJHCNJ-GFCCVEGCSA-N 433.446 -0.859 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1OC 749353611 OYGBXJXEJLBMJB-UHFFFAOYSA-N 443.526 -0.385 50 20 IBGD CCO[C@H]1COCC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760133195 URWHQAIRUBPRMI-CVEARBPZSA-N 442.542 -0.162 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cc2)c1=O 763680128 RWGJBQXACIXYLR-UHFFFAOYSA-N 428.380 -0.125 50 20 IBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cn2)C[C@@H](C)O1 764034354 NTRYRSIVYLVYPX-CHWSQXEVSA-N 448.505 -0.091 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115556 FBIZKXFIXAKQJA-XIKOKIGWSA-N 426.470 -0.273 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 819727454 GADQZYVXVWVVJM-UKRRQHHQSA-N 431.511 -0.041 50 20 IBGD COc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N(C)C 913156028 PWWUFEBUKKBPTL-UHFFFAOYSA-N 445.461 -0.004 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919689301 ISQPDJDMBBVKMQ-UHFFFAOYSA-N 437.460 -0.051 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777986335 OHYYRMBWNHVJMZ-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1779159961 VTATXTMPTITDJS-FQEVSTJZSA-N 427.465 -0.597 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cncnc1)C2 1782209439 PKIZHMUWVHSINQ-DYESRHJHSA-N 432.525 -0.094 50 20 IBGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)(C1)C2 1783445707 GJXILKYOJBOWIH-CBNMVNINSA-N 436.509 -0.467 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783880075 BEPMRVLEVYJYFJ-SCLBCKFNSA-N 442.856 -0.160 50 20 IBGD Cn1cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1785890983 BFQFLFUMBDKIAB-OWQGQXMQSA-N 426.477 -0.069 50 20 IBGD Cn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786076222 LMOQYXICWBMVFN-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788654805 DELXUHWEGRIJOJ-NZEYMJGSSA-N 438.352 -0.147 50 20 IBGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794529199 KFNBDYGLQZCFHL-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1Cl)C2)c1ccc(B(O)O)cc1 1795734068 ABYGJWDXSASWKB-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1)C2 1797750418 ANQHNGZQGZVQSV-WTLGNFPFSA-N 439.472 -0.378 50 20 IBGD O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797837377 RTIFBOBVJFWFKQ-WSOVOLMPSA-N 425.250 -0.718 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443658 SPDLTOSOPWMUQQ-BTTYYORXSA-N 431.497 -0.690 50 20 IBGD CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800539683 YXRMOHFVRRDZNP-QRUVTEGNSA-N 432.481 -0.764 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1800977728 WOYWBNPNGRVCAC-KBRXKUPHSA-N 435.905 -0.327 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802615171 VOLPYFZAPHIGSY-LZJOCLMNSA-N 444.536 -0.013 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807711633 KGKXUMCVDAEANS-OGNFBWPZSA-N 432.525 -0.817 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833765174 RYCCDGURLXWIML-HUUCEWRRSA-N 443.932 -0.590 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1834206010 FHTMPHGBWLPYRU-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(Cc1cnc[nH]1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835061290 AFUMAHNIHXWTPA-UHFFFAOYSA-N 439.325 -0.483 50 20 IBGD Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457983 ZQXXUAXNKOVRQW-HXUWFJFHSA-N 443.464 -0.900 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837499186 FDVZRDGPBJIJAG-FCEWJHQRSA-N 448.900 -0.045 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837565360 UPWGFHZVOCODTR-XZEIMLRBSA-N 449.508 -0.472 50 20 IBGD O=C(c1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197625 CINATMUZHZWHTL-IUODEOHRSA-N 433.234 -0.057 50 20 IBGD COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182262 BEKMOAOMCBFGOK-FQEVSTJZSA-N 426.514 -0.758 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2ccc(N3CCOCC3)c(F)c2)c(=O)n(C)c1=O 727254988 ACLOXRBHEBSJDN-UHFFFAOYSA-N 436.469 -0.303 50 20 IBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728961812 QLUWHDZPXNIFAI-UHFFFAOYSA-N 427.531 -0.259 50 20 IBGD CCOCCCn1c(NNC(=O)c2cn(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 735053223 BOWOLSWDCJMKGY-UHFFFAOYSA-N 428.449 -0.023 50 20 IBGD O=C(Cn1nnc2ccccc2c1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620689 JSVRTOGAQZHZGY-UHFFFAOYSA-N 444.473 -0.044 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 744641850 GESKFLMXCYSTGI-SWLSCSKDSA-N 442.450 -0.442 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 763659414 NQMNDTTWCUVSTD-UHFFFAOYSA-N 429.368 -0.025 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc21 770354894 HRVTZZZVNZAOLJ-UHFFFAOYSA-N 449.472 -0.226 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1 770639568 KWJMKSFUIQJIDO-CYBMUJFWSA-N 434.540 -0.338 50 20 IBGD O=C(NCCNC(=O)c1cc[nH]n1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 780877651 GOZHWAYMNZJJIO-UHFFFAOYSA-N 449.493 -0.432 50 20 IBGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 784003534 YQIOZAHDGKIBHO-UHFFFAOYSA-N 439.494 -0.063 50 20 IBGD CCCOc1nc(C)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 790784521 QQSBPFVXNZYDOB-UHFFFAOYSA-N 429.437 -0.613 50 20 IBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(F)cc1C 793027786 ZKKXOUODONOBLZ-SECBINFHSA-N 432.430 -0.666 50 20 IBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2=O)cn1 793028837 RTYJTGYEYDTYLE-OAHLLOKOSA-N 429.437 -0.218 50 20 IBGD COc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]c2ccccc12 802763616 YAXOTZQLBQEXJY-UHFFFAOYSA-N 425.405 -0.615 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCOC)C2)c1 914456788 BKCFHDQFQSLLEJ-OAHLLOKOSA-N 440.522 -0.027 50 20 IBGD C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 915480371 AMZCQQHLPQUDKR-ZDUSSCGKSA-N 435.458 -0.036 50 20 IBGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933560 QCRYDNYVNMRKRH-HXUWFJFHSA-N 425.530 -0.504 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(Cl)ncn1 1789056272 DDAUHGAAGBORHW-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793369372 GCAJBKQVONGUEO-ZIQFBCGOSA-N 429.308 -0.053 50 20 IBGD N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795735740 BWSLNEKGLQEVQQ-CEQLMSFQSA-N 433.273 -0.051 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2)c1ccc(B(O)O)cc1 1795736766 JHHSOBTUKZUJGE-IHSNIMORSA-N 438.293 -0.902 50 20 IBGD C[C@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)n[nH]c21 1795738810 GYCISHZWZXEUOZ-FIIQBIKZSA-N 438.293 -0.344 50 20 IBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1)c1cccc(B(O)O)c1 1821698136 ZUZWZXQHGAWKHB-GFCCVEGCSA-N 442.262 -0.157 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829984830 ONLKFWMJBWNZNS-LJQANCHMSA-N 438.236 -0.518 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225212 OWBQBUVTBCSDQK-WBMJQRKESA-N 430.303 -0.084 50 20 IBGD CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833660012 PMBRYPAXUKWQPM-LPHOPBHVSA-N 426.901 -0.183 50 20 IBGD CC[C@@H](C)[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834685351 YEDRQVSAFZEDNQ-IERDGZPVSA-N 444.385 -0.075 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1 1838755176 CTTPYKHESQBJSL-KDOFPFPSSA-N 429.905 -0.297 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840185646 RNHCCUKBTYCERX-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)C1 725871931 ILSSNLINXJMECD-HZPDHXFCSA-N 448.524 -0.128 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 728384670 OZZQQOXAIKUUDP-CYBMUJFWSA-N 431.492 -0.860 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)Cc2ccccn2)c1 730026324 XUUOMAZDLGTBJS-LBPRGKRZSA-N 434.478 -0.110 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOC[C@H]3CCCO3)nc2)CC1 734677579 XJADCNPIJQKQRD-OAHLLOKOSA-N 442.542 -0.161 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COCCO1 744649207 FYXBNAYNPZLAAK-KGLIPLIRSA-N 428.423 -0.689 50 20 IBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 748837015 BFIKFWMSXJWEIY-UHFFFAOYSA-N 425.467 -0.317 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 756813043 STVQAFSKNOCYHS-CYBMUJFWSA-N 446.507 -0.925 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 764232142 RRVOSFJEZPMHMY-RXMQYKEDSA-N 443.226 -0.249 50 20 IBGD COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764434031 PSGOUMNJQJYHAX-NSHDSACASA-N 430.211 -0.263 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764434422 QBSJDPZQPKKPGJ-AWEZNQCLSA-N 428.467 -0.783 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C#Cc2ccc(C(F)(F)F)cc2)n(C)c1=O 790785221 ZSJDKVKJBAOABZ-UHFFFAOYSA-N 448.361 -0.348 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)NCCCCC(F)(F)F)c(=O)n(C)c1=O 794971265 UCZODQMLLZMXGS-UHFFFAOYSA-N 428.462 -0.201 50 20 IBGD O=C(CN1CCCC1=O)NNC(=O)CN1C(=O)COc2cc(Br)ccc21 920433095 NNTJFHGDKKMKJJ-UHFFFAOYSA-N 425.239 -0.056 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104836 FTZDQDAYLULOJQ-JJTSJLALSA-N 439.513 -0.282 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1779177948 WDDOCPDFVKINTG-WPKBUWHJSA-N 425.873 -0.976 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncon1)C2 1779372619 OQKUBADXDUFOJD-AUUYWEPGSA-N 429.437 -0.491 50 20 IBGD CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781795313 BEUOMVYKBNFLHZ-OXQOHEQNSA-N 425.530 -0.601 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1782210849 RRSJQZDBKAEWGE-DYESRHJHSA-N 439.557 -0.795 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214199 HIAAAPHXOUGZPO-WHSLLNHNSA-N 437.541 -0.436 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783619669 QPHJAWLTPWPOTO-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783879709 ADXRYYDAIPOPLZ-LPHOPBHVSA-N 428.961 -0.150 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784596733 VLWHIMAFGVJSSO-UMGZNDIESA-N 443.468 -0.802 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2)c1cccc(B(O)O)c1 1795740219 GELCJLWCDNSWPZ-XOIINTDNSA-N 439.233 -0.993 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1801012534 NQSBCJCAQBBZQW-HBCWATKFSA-N 449.464 -0.123 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804347630 GWPZPHBRWFSZPY-HOSILWTGSA-N 437.884 -0.061 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371660 WZHHHZBNFYCVMP-LPHOPBHVSA-N 434.265 -0.179 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1829744906 AUVSTWQKYHAAQL-OXJNMPFZSA-N 440.541 -0.633 50 20 IBGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1829758497 JZFFQWIWHDCELX-BDJLRTHQSA-N 433.918 -0.096 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cc3cnccn3)CC2)CC1 1833372858 QEDGBYNNTKBLPM-UHFFFAOYSA-N 445.568 -0.036 50 20 IBGD Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929118 ABTVHBAGHNKRLY-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1835934435 SKDCBIQRACWRIB-ATZDWAIDSA-N 440.664 -0.639 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CCC1=O 1839199483 XPXVPNLISKCQJV-BBRMVZONSA-N 449.277 -0.259 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840152671 PLDPWGYKBPDNJK-RVKKMQEKSA-N 446.957 -0.277 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnc1 1840182572 NXPLKUHSMAWOED-OXJNMPFZSA-N 436.513 -0.727 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1844264910 XGFDRLUXFAYDCD-CABCVRRESA-N 440.504 -0.097 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1OC 731907686 IZZMFJBDODCOIP-UHFFFAOYSA-N 448.432 -0.224 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 735117098 BFRSMSCDVPBCEK-UHFFFAOYSA-N 438.470 -0.344 50 20 IBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 748855748 FOHFBRKSHJJMJS-CYBMUJFWSA-N 434.478 -0.073 50 20 IBGD COCCOc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229471 AIKPRDWOSMIXGR-VIFPVBQESA-N 436.874 -0.611 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 800983622 PAGDYQMCMCIFJF-UHFFFAOYSA-N 432.528 -0.688 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 810346848 YXHIJSIVGYVNRO-NSHDSACASA-N 428.492 -0.797 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036876 HSELOYMWYILNQV-SQSZOCELSA-N 430.465 -0.832 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781430047 ASLDPMJWHIAMSY-NRFANRHFSA-N 426.282 -0.607 50 20 IBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1783846405 MFKRIEAMWFKLGP-AVGNSLFASA-N 425.850 -0.044 50 20 IBGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)cc2C1 1784091911 CPARQVQCMVJKIT-IKICRFKJSA-N 439.944 -0.088 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21)[C@@H](O)CCl 1784092019 DELSCDATWVSGRS-NQCBRMCBSA-N 427.929 -0.033 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2)c1ccc(B(O)O)cc1 1795735912 JFTPWXBKKONTFO-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cncn1 1815347759 NOBDWSQEKYEJPJ-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD O=C(O)CSCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348600 RETNQKABBYFYMN-LBPRGKRZSA-N 449.319 -0.134 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825219635 DTILCXZMJKDXPA-MWLCHTKSSA-N 445.505 -0.108 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1830364742 SDDHAPMYWQDWCV-KXBFYZLASA-N 433.933 -0.642 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724073 CNIDRVYARFGKJA-GUYCJALGSA-N 432.836 -0.548 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1830736851 WWEQQXOXMFIXTI-QKLQHJQFSA-N 426.897 -0.354 50 20 IBGD CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1833358856 YPKLCNDKSGGOMA-VQIMIIECSA-N 426.901 -0.183 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478509 NSRBRSMWZRQUKZ-FZKQIMNGSA-N 429.857 -0.591 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1837958296 OHISPUKGCNXHCW-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)N1CCN(C)CC1 1839105203 UOWKQTBESTZBLC-KDOFPFPSSA-N 437.368 -0.118 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189748 JXUGJEYCQQCFQZ-OAHLLOKOSA-N 427.354 -0.270 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1845163862 YGBYGZWQKCQONG-GFCCVEGCSA-N 436.900 -0.346 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O 745736345 ALTHVESAYKAWCM-VFZGTOFNSA-N 427.841 -0.072 50 20 IBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 750521586 SZANPZLYRHXRFQ-CYBMUJFWSA-N 442.384 -0.021 50 20 IBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763572893 VMEYZNWLDUKCFI-INIZCTEOSA-N 428.401 -0.263 50 20 IBGD NC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cn1 763639323 DOFFTGDXWWTLKO-UHFFFAOYSA-N 428.327 -0.448 50 20 IBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Br 765726479 BXTKMDKBCNXUCD-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n(C)c1=O 766634319 FZKOZOVWZAKBOD-UHFFFAOYSA-N 449.427 -0.546 50 20 IBGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 777939001 IIRZGHXJRMRFQW-UHFFFAOYSA-N 436.512 -0.229 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2)c1=O 782893363 IXJMCUJZRQDOGO-UHFFFAOYSA-N 448.443 -0.214 50 20 IBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 792084948 QSYGPPISUPVEQM-QMTHXVAHSA-N 440.400 -0.864 50 20 IBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 797000543 SQXCABBYJMUATH-UHFFFAOYSA-N 439.388 -0.143 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(=O)c3ccc(F)cc3o2)n(C)c1=O 802763211 TYAHUUFRRADNGA-UHFFFAOYSA-N 442.363 -0.860 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCOCC2)cc1 915880768 YVLAUOIOPRQPMU-UHFFFAOYSA-N 427.527 -0.332 50 20 IBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1nnc2n1CCOC2 1116761947 VOEFPKBDPBEVNC-UHFFFAOYSA-N 428.497 -0.149 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1783935748 YOIUGAMOIALYTQ-UWJYYQICSA-N 432.525 -0.846 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4cncc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979676 KEGQHCLASBFWMY-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD CC1=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CCO1 1788610085 CHMISKIMNLDJDP-KKXDTOCCSA-N 429.477 -0.027 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C[C@@H]21 1788611286 RGUKESZUGCDBNA-DQCADHONSA-N 439.476 -0.285 50 20 IBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1791394441 IZKDIIQYLQWLSG-AVGNSLFASA-N 428.283 -0.324 50 20 IBGD CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1792866901 ZLYIXKMJSKMKRC-AJYBTWMASA-N 447.536 -0.307 50 20 IBGD COc1ncccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794098003 NEMCVSKFSJGKOX-UPHUGPLXSA-N 447.536 -0.015 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736707 CAHPPJZFIIYFGM-SCAQPMJSSA-N 432.282 -0.841 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795737305 QUPWUCXSMCMZKG-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD N[C@@H](Cc1cscn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796745456 DWKNTFGHNOPPQE-RANZSIQMSA-N 428.323 -0.355 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(F)Cl 1801089890 PHEYGIRFYNTALQ-YYPYLOAXSA-N 425.848 -0.187 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807692013 IUFTUCLBJIQBRP-JXFKEZNVSA-N 428.497 -0.248 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072404 BVZPSRDFDQABLB-LIVBEALHSA-N 432.525 -0.015 50 20 IBGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826800483 CRSDLHCCMUKQGG-KBPBESRZSA-N 425.850 -0.069 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1830538636 LRHFNAYWDJETIP-CJNGLKHVSA-N 430.303 -0.235 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1831657021 KQALLMIIJONIJS-QFBILLFUSA-N 435.949 -0.863 50 20 IBGD O=C(CCc1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833048896 UJTQTLUJTLUTFK-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cc[nH]n3)CC2)CC1 1835737188 UTAWYTDQPDNXKZ-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1835938148 NGCFOFMYYCXTOJ-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnc1 1840182573 NXPLKUHSMAWOED-OXQOHEQNSA-N 436.513 -0.727 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1840183751 XNENXKITEFUSEV-OAQYLSRUSA-N 449.508 -0.005 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1843416098 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-0.607 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(C)(C)O)CC2)o1 768244446 KRWRNBJDTJQQTP-UHFFFAOYSA-N 431.467 -0.225 50 20 IBGD CN1CCN(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 773672094 DWTJEYSKHXOZOY-UHFFFAOYSA-N 426.318 -0.240 50 20 IBGD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786980211 WDMVDUMTFRPORX-JBACZVJFSA-N 437.305 -0.094 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983884 VFXTWBABPMWCOE-MZGVZZPPSA-N 439.115 -0.257 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788470923 BCQHDZWNSBKWFR-HKLXJQGRSA-N 440.266 -0.279 50 20 IBGD O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793860692 PMFSPNJUXVUZKK-ZDFLXESQSA-N 449.891 -0.138 50 20 IBGD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796446280 RBKOXVZXTKFFLY-UOEJNGGWSA-N 434.453 -0.934 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1796893578 JDHLYLMHNJMTGC-ONMDDFKGSA-N 446.464 -0.698 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799276654 PAQVCFFQIGWMRR-OSHAPPAQSA-N 426.297 -0.123 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800220342 BKUWXGRJDRYQKV-BOLBYERCSA-N 431.342 -0.453 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnnn2C)[C@@H]1c1cccnc1 1804745529 AEBHCQOZWQGAFE-KXBFYZLASA-N 428.497 -0.097 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cnnn1 1807373971 GWNIZGGNNOFHLS-LJHODMEESA-N 449.280 -0.671 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1825999748 CHEXKSBIBPBHMZ-GDLVEWKHSA-N 432.930 -0.041 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1830535965 VZNYPEQXQZORCI-OGHNNQOOSA-N 434.331 -0.015 50 20 IBGD Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834037833 WDIQHMUQLYNSFC-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352295 KSEILDWSTDBKNK-SCLBCKFNSA-N 428.873 -0.191 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840155178 RTMOBTHTZFOTMV-KXBFYZLASA-N 442.900 -0.011 50 20 IBGD O=C(CCn1cncn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840358560 OTDISKROLVSHKH-UKRRQHHQSA-N 434.266 -0.185 50 20 IBGD COc1ccnc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1OC 1844841100 UDXYWNTZQCBRMP-UHFFFAOYSA-N 425.250 -0.091 50 20 IBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CC2=O)c1 746186721 ZUBGNAZWSIDVPP-CXAGYDPISA-N 444.469 -0.162 50 20 IBGD COc1cc(NC(C)=O)ccc1C(C)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 747764634 YTRPAMQCMAUTBS-UHFFFAOYSA-N 441.448 -0.059 50 20 IBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)[C@H]1COc2ccccc2O1 750288979 NIYUFOOUMRXHLB-CQSZACIVSA-N 425.423 -0.736 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)n1 763885969 PCHCPLFNRBXVGI-UHFFFAOYSA-N 434.478 -0.174 50 20 IBGD Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n[nH]2)o1 765726706 FLTWPDLEVZTBGX-UHFFFAOYSA-N 426.393 -0.814 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@]12CCC(=O)N1CCS2 766637053 WCENQBJCAKTBLK-HXUWFJFHSA-N 431.518 -0.343 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]nc2-c2ccc(F)cc2)n(C)c1=O 766638054 XBLJZTVMMNRSEI-UHFFFAOYSA-N 440.395 -0.576 50 20 IBGD Cc1c(NNC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cccc1[N+](=O)[O-] 784353252 RMYDZNDVMBFZHV-UHFFFAOYSA-N 432.441 -0.141 50 20 IBGD O=C(COC(=O)[C@H]1COCCN1CC(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 786953257 YGIWCIREGZUPEN-RISCZKNCSA-N 429.376 -0.517 50 20 IBGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)CNC(=O)c1cccs1)C2 805044580 WXFJGTXAHJPUGC-KBPBESRZSA-N 436.538 -0.108 50 20 IBGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)ccn1 815570448 CNBGGCQCOGZMGI-INIZCTEOSA-N 443.416 -0.265 50 20 IBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 819841112 PXLIYMVESCTSHL-INIZCTEOSA-N 449.441 -0.213 50 20 IBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 892675322 YQXVYZZHBSTHHV-NSHDSACASA-N 438.915 -0.438 50 20 IBGD CC[C@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 913054527 YSJMWDYMVQBLMH-HNNXBMFYSA-N 435.525 -0.003 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914829881 DGJZIDZMAGUOBQ-OLZOCXBDSA-N 425.463 -0.500 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c2ccccc2c1=O 916728009 GJQDVXMDXKSLFK-UHFFFAOYSA-N 447.477 -0.721 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1779028131 FBQXUEKQKRKBKU-HXUWFJFHSA-N 427.465 -0.516 50 20 IBGD CC(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n[nH]1 1780293667 CKBHZJFJLBKTJM-NRFANRHFSA-N 426.282 -0.030 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1 1792975321 QOLYAQQPDWJTCS-OCVGTWLNSA-N 430.910 -0.107 50 20 IBGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732822 LKZYJQZSHCXMKO-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C)n1C 1795734970 CRLJSUUGNVZTEN-XEMDLRDOSA-N 425.294 -0.161 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1810822311 YVKPLBKTZQTYCU-MRXNPFEDSA-N 445.524 -0.023 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833984094 PKIQNIQECOTYLK-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449240 BOESIOZTMOPCLK-QAPCUYQASA-N 448.358 -0.052 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837486060 VSFJQABTDQNWMW-DOXZYTNZSA-N 441.916 -0.013 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1837718160 YODFTVVSHYOLBR-GOSISDBHSA-N 425.562 -0.024 50 20 IBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839273704 KSLZNLOZEPABNJ-QAPCUYQASA-N 443.840 -0.030 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840183533 KSKTWDUSYHQJRI-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840186090 ZJLHTRCRIQIPRK-OAQYLSRUSA-N 449.508 -0.963 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)C1 1844196841 OIXYHRXPSWLYND-NRFANRHFSA-N 435.245 -0.082 50 20 IBGD Cc1ccc(-c2cc(C(=O)NNC(=O)NCCN3CCN(S(C)(=O)=O)CC3)n[nH]2)cc1 727240732 XIZBVZMTBIRXKT-UHFFFAOYSA-N 449.537 -0.094 50 20 IBGD O=C(CCCCCCCC(=O)NNC(=O)N1CCOCC1)NNC(=O)N1CCOCC1 729841779 OQMWNKUUQMMUTM-UHFFFAOYSA-N 442.517 -0.137 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 740851196 ULLCJUCGVFLKIS-QLFBSQMISA-N 444.554 -0.452 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 755454256 WWWUBKCVWYGUGV-NSHDSACASA-N 435.528 -0.194 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc(I)cc1 758045237 CBHKTMNELGWDLH-QMMMGPOBSA-N 441.247 -0.245 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2F)n1 769861591 QGECUMGTAUQIOM-UHFFFAOYSA-N 430.439 -0.215 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 812727058 NGDTVLVUALMWHB-UHFFFAOYSA-N 445.523 -0.053 50 20 IBGD CC[C@H](C)NC(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 918085227 OVIJHUXXPKTNME-AWEZNQCLSA-N 441.558 -0.051 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318796447 CIWKPODIDQCNLV-XOUADPBQSA-N 428.449 -0.997 50 20 IBGD Cc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030962 ZXNHVNKOQHBZTA-FQEVSTJZSA-N 425.449 -0.459 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779877205 SKJXBBHLDAVHGX-NHYWBVRUSA-N 430.234 -0.291 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781419196 PFKQSUQEMVQMPZ-IXOWOOARSA-N 428.453 -0.758 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CCC(CO)CC1 1793852778 VECRFCZWTYIAKG-UPMMPCJVSA-N 430.310 -0.632 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800172264 NLQQDWPWSBUOMI-VOLWHKNWSA-N 444.492 -0.250 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372960 LICSFBYHXFTEGM-FXAWDEMLSA-N 427.266 -0.910 50 20 IBGD O=C(CN1CCOCC1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809546824 QKTLJAFEECBLJA-UHFFFAOYSA-N 429.326 -0.457 50 20 IBGD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815336984 INDJQLGLSRFTDV-LBPRGKRZSA-N 426.267 -0.509 50 20 IBGD Cn1nncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793809 UBXKTJKWWWPHEI-VIFPVBQESA-N 441.477 -0.190 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834800957 CGNRSWTWJTXSCC-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD O=C(CC(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835331571 OQZNZYJNYJKYCU-KRWDZBQOSA-N 430.188 -0.611 50 20 IBGD Cc1n[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836153433 SRWSCGVPEIOFMK-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(c1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197627 CINATMUZHZWHTL-WFASDCNBSA-N 433.234 -0.057 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cncn1 1839203509 NIOMPICDIUBWIY-TYNCELHUSA-N 434.266 -0.014 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237929 KMFXDRKVXCWFLX-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 728202946 DNWJPOYMRYSONJ-ZIAGYGMSSA-N 445.519 -0.660 50 20 IBGD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 731466801 KCRTWTMMLKRWSH-LBPRGKRZSA-N 434.540 -0.194 50 20 IBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755535907 ZTYPNZCVUZFQEH-LLVKDONJSA-N 447.539 -0.410 50 20 IBGD Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 763875761 AMGCLNRSXGMKBB-GHMZBOCLSA-N 434.902 -0.335 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)OCCO3)n(C)c1=O 765312664 JMESQJFZYWQLPQ-UHFFFAOYSA-N 429.393 -0.942 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(-c3ccco3)s2)n(C)c1=O 765732499 WEUNKXAGIHPZIL-UHFFFAOYSA-N 429.418 -0.389 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NN(C)C(=O)OC)c(=O)n2Cc1ccccc1 804125390 JAGWNLGUAQJKQU-UHFFFAOYSA-N 444.448 -0.216 50 20 IBGD O=S(=O)(CBr)NCCN1CCN(S(=O)(=O)CBr)CC1 808310130 YJZBAELCCGRBKJ-UHFFFAOYSA-N 443.183 -0.442 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNc2ccccc2C(N)=O)cc1 809557250 ARBNEQDNTVBVLC-UHFFFAOYSA-N 433.490 -0.026 50 20 IBGD Cc1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779872815 LRCQKGSCGAMZND-XMSQKQJNSA-N 438.293 -0.094 50 20 IBGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc2nccn12 1782351498 YLOAKQJPPOBBKL-QFIPXVFZSA-N 449.276 -0.525 50 20 IBGD Cc1nccn1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1782775991 RTTIVPQZIDXPSA-HXUWFJFHSA-N 427.465 -0.666 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784349160 MXIIJBGGUPBOEO-ZHRRBRCNSA-N 438.293 -0.662 50 20 IBGD COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785651843 KNNVWKRKUZQYAE-KKUMJFAQSA-N 434.497 -0.549 50 20 IBGD C[C@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740568 INHUUTSECLZSGX-KBMWQNTOSA-N 437.305 -0.157 50 20 IBGD CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1796631540 AGZZIBOHGRXGQJ-SCAQPMJSSA-N 427.270 -0.944 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(O)c1 1798835629 RHYUZCZUGWAAGN-VTEUUUEMSA-N 434.493 -0.023 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362158 FAHPXZJYJXVXGY-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCC(=O)N2)n[nH]1 1817088001 PZOPTHHFGJNBJD-HIFRSBDPSA-N 440.464 -0.007 50 20 IBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824676646 ATEWZMHBSMXTTR-IUCAKERBSA-N 432.886 -0.148 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1ccnn1 1824682427 GUDGMFGMIGFXLF-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834466925 RQFPXMAXRBTWLH-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835386126 DSHUATNDNNCHBS-BQNPTPDXSA-N 448.524 -0.472 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1835932218 ULFHJBLUIDMJPY-TWFHAPMSSA-N 444.318 -0.689 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)n1cccc1C=O 1835951750 HFOCPCKQLAKEGG-IDHHARJASA-N 427.885 -0.082 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840183378 ZWFIQWSTVQFNNY-QUCCMNQESA-N 438.481 -0.858 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1840184970 CXLZPYFPNRUWBB-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1840185146 GSSTXUGQYSJKEM-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840185547 RWMQYVHXYVSYAM-VWXURSGXSA-N 438.525 -0.617 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2nnc3ccccc3c2=O)cc1OC 16258667 SYRHCDNMSKHKRE-UHFFFAOYSA-N 441.400 -0.187 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COCc3ccccc3)c2)CCN1 737634918 QBDGHRCTCNAFBN-UHFFFAOYSA-N 446.485 -0.215 50 20 IBGD O=C(NNC(=O)c1cccnc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763494815 KSLHANJAZKECHL-QGZVFWFLSA-N 439.428 -0.504 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC[C@@H]2CCCO2)c1 764230407 HWIXHZMCTLVJFX-STQMWFEESA-N 442.494 -0.424 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1-n1cnnn1 764366995 GZCFYQQAFXOZQJ-UHFFFAOYSA-N 425.405 -0.026 50 20 IBGD COC(=O)CCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764458291 FNMYPJDXTLGTIM-UHFFFAOYSA-N 440.522 -0.208 50 20 IBGD COCCN1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766647373 GEMPKDIHTSPODZ-QGZVFWFLSA-N 431.493 -0.913 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)n(C)c1 778681624 SCVGJOOWGNZEDE-UHFFFAOYSA-N 432.503 -0.256 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778774523 YOPWJMOSHUYAHW-OAQYLSRUSA-N 435.249 -0.605 50 20 IBGD Cn1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779031193 NHXGTQMEWJMWLS-OAQYLSRUSA-N 441.492 -0.505 50 20 IBGD CC[S@@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032212 LQZUVGSXYKAORS-HZAQMHFWSA-N 437.522 -0.713 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937856 YBAWZDLULXXVOG-LIRRHRJNSA-N 428.486 -0.249 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786976718 LKYUWOHZOBOBOX-YDHLFZDLSA-N 448.556 -0.138 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(C)C 1786979760 PBZMPSPSFJBIFH-FRYIKTPZSA-N 446.309 -0.453 50 20 IBGD CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986472 DLVQXPUWNLRBBS-OWLYRPNTSA-N 436.339 -0.926 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)Cc1ccccc1)C2)C(O)O 1792800094 AIJPKRDDKRIYGA-LXTVHRRPSA-N 427.295 -0.107 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808417572 MXYMFHKYEVFVSY-JZKQFEGJSA-N 440.508 -0.493 50 20 IBGD O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808935094 MBEPLOGPLGCLGV-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CCN1 1817475229 LRPXVICVFGCJBX-WMLDXEAASA-N 439.281 -0.078 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825994883 QSWKRJIICSTMKI-BDAKNGLRSA-N 429.886 -0.139 50 20 IBGD COCCOCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834565925 BDIUXDDLMGUESN-UHFFFAOYSA-N 447.341 -0.785 50 20 IBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736404 PKXINZABFLDPJC-WFASDCNBSA-N 446.390 -0.066 50 20 IBGD CC[C@@H](C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799900 LNOFECVOLSWZJE-IIBYNOLFSA-N 445.369 -0.041 50 20 IBGD O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc2N1 1836784691 NIQQGYPSQRRCJG-JXFKEZNVSA-N 437.880 -0.149 50 20 IBGD Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457485 DRULSTSLEYVSNG-OAQYLSRUSA-N 442.476 -0.295 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837820916 HOSLGWOUPQOCAA-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD CN1CC(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1837921094 ZGOHLGISUWWQCX-UHFFFAOYSA-N 429.326 -0.460 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840152102 XKUZKDWIFGDTLH-KXBFYZLASA-N 427.885 -0.442 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)c(=O)n2C 728976390 MXOUNDFWKGSWHQ-UHFFFAOYSA-N 442.404 -0.427 50 20 IBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCC 729275840 SBYVQOGGAOYBRR-LLVKDONJSA-N 430.483 -0.701 50 20 IBGD COC(=O)c1cn([C@@H]2CCCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)nn1 762555592 CBDWPKKHMYQUAA-CQSZACIVSA-N 440.424 -0.268 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 763659105 JIRYTHVCYWXHHH-UHFFFAOYSA-N 442.432 -0.809 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 764227643 OTVLVPIHIBPAFO-QWHCGFSZSA-N 441.510 -0.897 50 20 IBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764295492 MWPQADVCOUVQEM-INIZCTEOSA-N 442.432 -0.868 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccncc2Br)n(C)c1=O 766640345 SMBAVVNZSGZYJS-UHFFFAOYSA-N 436.226 -0.948 50 20 IBGD CN(C)[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1 766642970 IGUWQPQODGZLJX-CQSZACIVSA-N 447.883 -0.463 50 20 IBGD C[C@H](O)c1cn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)nn1 766659602 CUEPSNCDNHLSOZ-AWEZNQCLSA-N 435.916 -0.050 50 20 IBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1 770194945 FNLIWUBIKPXIJG-UHFFFAOYSA-N 425.467 -0.198 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 771846823 SSPKWNSSARCTGU-DVOMOZLQSA-N 429.495 -0.180 50 20 IBGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 778935456 AEWHQLYWMRDWKK-DJJJIMSYSA-N 434.405 -0.763 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 789840217 WDWYIVSCLKHYOL-LBPRGKRZSA-N 429.524 -0.281 50 20 IBGD O=C1C[C@](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)(c2ccccc2)CN1 811237720 WIAHBFMIOLDBMJ-HTAPYJJXSA-N 439.424 -0.025 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 912852508 XGMYKMUAZZWLIF-UOVKNHIHSA-N 431.474 -0.452 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCC(=O)NNC(=O)Cn2nc(C)cc2C)n1 917391923 NWIINKDRGQGAHO-UHFFFAOYSA-N 432.485 -0.521 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1779033701 BPGGIJKGOFMLPK-QVKFZJNVSA-N 431.493 -0.055 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1ccnc1 1784253746 OUZKUUZNMNTSNG-XIVBQZFQSA-N 426.282 -0.583 50 20 IBGD CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610475 UTSHSVSRJHGXDM-JQFCIGGWSA-N 446.508 -0.949 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793589708 VCIKIGWXKCMEHE-CCWDJLKJSA-N 432.282 -0.699 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc(O)n1 1796378225 SDFFHFDFLVURPS-ZSBFGKGUSA-N 440.460 -0.389 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CC1 1797306462 RPUVJOCIFCENEV-XRGAULLZSA-N 449.321 -0.569 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812648496 NPIRKQLDTXZHBX-LXGCGDOSSA-N 438.293 -0.394 50 20 IBGD COC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1826507655 SVCNAGPMJKQKGL-JTQLQIEISA-N 426.499 -0.216 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927623 VKCGHAHYNXAVBB-NRFANRHFSA-N 432.282 -0.948 50 20 IBGD Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935371 PPQKIKTVCVNYKV-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837608120 WPSCVWLBXMMINC-WPKBUWHJSA-N 443.863 -0.414 50 20 IBGD C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920288 XHYWMOSKOOGPOB-HNNXBMFYSA-N 431.298 -0.887 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838818880 YASZVJIHYJEHNK-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD O=C(c1cc(O)ncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199335 UMUVHRAYPRSBSA-WFASDCNBSA-N 433.234 -0.057 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839371613 GURGGXNDFHIXTF-KDOFPFPSSA-N 430.841 -0.527 50 20 IBGD CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183382 AFKNUJZGOFIUNB-FQEVSTJZSA-N 436.513 -0.654 50 20 IBGD COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015274 ZXCRKCWFRNSVGG-UHFFFAOYSA-N 434.298 -0.747 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 728510675 QDKJGOGKMCYILU-LURJTMIESA-N 445.273 -0.396 50 20 IBGD C[C@@H]([C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCOCC1 729624595 YJNWNTAMNRHJSF-KGLIPLIRSA-N 427.527 -0.010 50 20 IBGD COC(=O)N[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(C)C 735117590 YQIJHCLKBKLQNX-AWEZNQCLSA-N 428.515 -0.159 50 20 IBGD CCOC(=O)CNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 749462592 DLSCXSDOXUVQHH-UHFFFAOYSA-N 435.437 -0.253 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 751201827 LPYSRODFRXIOQB-UHFFFAOYSA-N 436.446 -0.509 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 756498366 VHMWTTGSYOQFPA-SECBINFHSA-N 437.475 -0.544 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 763867182 SLLDNQWWBIPFGK-LBPRGKRZSA-N 444.423 -0.290 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F 764227880 SJWMEURLFMQNHI-ZETCQYMHSA-N 426.373 -0.507 50 20 IBGD CNS(=O)(=O)NC1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 812839857 LHKNMBFDJGJXLU-UHFFFAOYSA-N 433.918 -0.372 50 20 IBGD NS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)COc2ccc(Br)cc2)C1 816810236 DZYNVYYFYIHVKH-JTQLQIEISA-N 435.300 -0.109 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778729225 QNYKQKVVMLYSCH-QFIPXVFZSA-N 443.504 -0.254 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn[nH]c1)C2 1779373162 JFDXUFOLZWIHOX-OXQOHEQNSA-N 427.465 -0.151 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782705353 TVXIEFAUQRCJEV-VBKZILBWSA-N 434.254 -0.629 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Br)C3)C2)CC1 1783533788 JCQDBSKIYJQWIH-KSSFIOAISA-N 445.358 -0.236 50 20 IBGD Cc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1794704435 VDAXAGHUQNLDAZ-FVCICTRLSA-N 425.449 -0.699 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2cccnc2n1 1797359070 OSOWRWSGTJEMEJ-XEMDLRDOSA-N 446.272 -0.173 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2cn[nH]c2cn1 1797579994 LLJNNCSMSRPYHS-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095082 STDLGXSESYRQLQ-XEMDLRDOSA-N 433.509 -0.431 50 20 IBGD O=C(CN1CCCC1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967711 GULGRSFEEKALBP-UHFFFAOYSA-N 427.310 -0.166 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H](O)CCl 1833310704 QFSGSTCJNPDQSJ-GOSISDBHSA-N 437.733 -0.849 50 20 IBGD CC(C)(C)NCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801037 JGXTYZRCVXRVFF-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840034236 FUIXKURXYJPGBB-BZNIZROVSA-N 429.271 -0.377 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188311 BYBNMRJWWLOTSH-NHYWBVRUSA-N 428.269 -0.689 50 20 IBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cn1cnc2ccccc21 17405537 MRGBUZHEBXBPQR-UHFFFAOYSA-N 446.489 -0.143 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 744653601 YWQGFGMQKDUUIU-TZMCWYRMSA-N 439.446 -0.814 50 20 IBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 751568716 XZNTYAFVEVTORB-UHFFFAOYSA-N 432.505 -0.141 50 20 IBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753947505 FPIXBESQXBLPPR-GJZGRUSLSA-N 442.542 -0.162 50 20 IBGD COC(=O)c1cn([C@@H]2CCCN(C(=O)NNC(=O)CNC(=O)c3cccs3)C2)nn1 762570963 IEHBESDOABPGLR-LLVKDONJSA-N 435.466 -0.066 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 764325029 ASRDDRGNAQERFM-OAHLLOKOSA-N 434.449 -0.023 50 20 IBGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764424219 GOZHWSAIIDBKLW-OAHLLOKOSA-N 436.490 -0.315 50 20 IBGD C[C@@H](NC(=O)CC1CCCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766645697 VKTCEPVBLJBFQZ-GFCCVEGCSA-N 447.496 -0.944 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 773546468 MPTQVOIZZRYNRY-MRVPVSSYSA-N 444.420 -0.611 50 20 IBGD O=C(COC(=O)CNC(=O)c1cccc(O)c1)NNC(=O)[C@H]1COc2ccccc2O1 785695652 XPCOXXJOEWASOJ-MRXNPFEDSA-N 429.385 -0.347 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 794061131 TUPPLBYZSJARRR-UHFFFAOYSA-N 433.446 -0.442 50 20 IBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1 794591559 BFRBECFJLKLSMH-UHFFFAOYSA-N 446.894 -0.236 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 816877686 ADQJRTCWEGIUNZ-ZDUSSCGKSA-N 449.493 -0.733 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 845927086 WSZSEXILNOOWEX-MWDDYTRKSA-N 442.384 -0.294 50 20 IBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)NC(C)C 1317963212 ZXKITQSACWYRQF-CYBMUJFWSA-N 427.479 -0.206 50 20 IBGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1 1780552483 QALXXEBNQMVRAH-JOCHJYFZSA-N 440.261 -0.162 50 20 IBGD Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1785370097 RXMMJCOVNOVVTR-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD Cc1onc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1C 1786982719 FNCRWFRPHSZYPM-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cs1 1797749807 VMAXYODAHTZQKV-IVWMJMPLSA-N 444.517 -0.104 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1O)C2 1797754095 UNIXWOQDAJKBBI-KSPBDQMDSA-N 441.444 -0.387 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800644492 WFIBCAIEERMKJG-BUWBCJGYSA-N 428.283 -0.326 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3ccnc3c1)C2 1801011225 BYLOAQIEUPQFIE-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1830538046 UMXJRVVJWYGTKX-XNJGSVPQSA-N 449.346 -0.933 50 20 IBGD Cc1occc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834137386 XWQYMDUPAHQEDF-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD O=C(Cc1cnc[nH]1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835061894 XXDUBEPXJBGFLJ-UHFFFAOYSA-N 439.325 -0.483 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835264053 KKYMHEAGVIXOFK-VQYZLWMVSA-N 449.508 -0.262 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835636420 NCRKATYMNXWCMA-SFHVURJKSA-N 427.578 -0.866 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190663 GXTXZIOKZUJIRQ-JKSUJKDBSA-N 427.281 -0.138 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 754882849 GQXMFTGIQOLNLG-RYUDHWBXSA-N 432.499 -0.916 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 756658087 GOZRJWPNCBUEMZ-UHFFFAOYSA-N 430.425 -0.438 50 20 IBGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(C)c2)C1 758038796 GPHSVIZFPDADFR-VXGBXAGGSA-N 449.555 -0.856 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC[C@H]2CCCO2)c1 764230393 HWIXHZMCTLVJFX-CHWSQXEVSA-N 442.494 -0.424 50 20 IBGD COC(=O)c1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Cl)c1 806978332 WYDKKQKWNUXTRN-QMMMGPOBSA-N 434.858 -0.541 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807970402 IQOSWZRSRGOGMT-ZETCQYMHSA-N 427.302 -0.516 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)c2)CCN1 812979296 NQDOIAOAECGYMQ-UHFFFAOYSA-N 443.435 -0.078 50 20 IBGD C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 817052989 YHWNEHRDOUEIQX-INMQWQFJSA-N 436.490 -0.069 50 20 IBGD C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)C[C@@H](C)O1 914789241 VGSMRYZVDYVVDX-ZIAGYGMSSA-N 445.567 -0.519 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1779031679 CXCACQNSDLABEZ-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885277 MGJYJRLGJKVXRY-HXUWFJFHSA-N 426.433 -0.924 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781634120 JTYXZWDFAKXVTE-OAQYLSRUSA-N 428.225 -0.032 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1788610580 HWQGYVGQJHFZAM-ZLIFDBKOSA-N 425.449 -0.618 50 20 IBGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cnc2s1 1797062422 IROWJJVLXYLLOG-XCCSTKFXSA-N 440.909 -0.133 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 1797754459 YJFMNGOVQCYSGF-AOQHKNEPSA-N 425.848 -0.187 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803664137 JPYROOFHMQDDDD-LIVBEALHSA-N 438.293 -0.408 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335579 FXLUHDAONQMDIA-BXUZGUMPSA-N 444.322 -0.037 50 20 IBGD O=C1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CN1 1815335648 IUPMXUVCJPCOQB-JSGCOSHPSA-N 442.306 -0.425 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NNC(=O)C2)CC1 1828924052 IAZSDFHHDJTRAL-KRWDZBQOSA-N 441.492 -0.206 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835928738 XICLFCQBSAPARB-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD O=C(Cc1cccnc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836154147 CLNAPHUUNLQXKE-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921565 OKPFMMBHNJRDTI-HNNXBMFYSA-N 445.325 -0.497 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839962604 LJWUZTHLKLZHAK-WQGACYEGSA-N 434.287 -0.275 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839964537 UXHKORAVTHZFPW-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840151952 SGKVLIZRJVFOQH-PXNSSMCTSA-N 446.976 -0.666 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)cc1OC 726597665 UUKHIEZSXLPPQZ-UHFFFAOYSA-N 442.476 -0.219 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 755677611 JVLZVFIKZFCELM-NSHDSACASA-N 433.450 -0.561 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1N1CCCS1(=O)=O 756704231 ILXFDKSLYLIOCA-NSHDSACASA-N 433.512 -0.375 50 20 IBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 758524004 RJYDGXXTDHXNBJ-UHFFFAOYSA-N 443.345 -0.295 50 20 IBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764162633 DKCXSRDMHMDOSO-MRXNPFEDSA-N 437.412 -0.172 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@@H]3COC(=O)C3)CC2)cc1 765730222 VKGRDJXHPVHIGL-HNNXBMFYSA-N 438.506 -0.598 50 20 IBGD CN(C)CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 788014901 VRQIZRPZZUKMEK-UHFFFAOYSA-N 427.527 -0.007 50 20 IBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)CNC(=O)c1cccnc1 792648445 ABMACQACQZZERN-QGZVFWFLSA-N 441.366 -0.410 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)ccc1F 806977621 RGNSBVFXCVTZNJ-AWEZNQCLSA-N 436.421 -0.177 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829620 HABKJRUAOUUWDL-KBPBESRZSA-N 439.490 -0.353 50 20 IBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C)n1 1779623764 NSDLDGIYIAETHJ-NRFANRHFSA-N 426.282 -0.580 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779882896 BHPGKEIGCDBJMZ-CPOKCXMASA-N 440.460 -0.103 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784267324 RQHKDQQRHFZESZ-HXUWFJFHSA-N 427.465 -0.516 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785154689 IYZVSXVQYQRNRF-NWBUJAPZSA-N 445.314 -0.262 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785264958 KMIYCRZZWRYJBM-JOCHJYFZSA-N 442.252 -0.245 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980067 FRMSWETWLXRCOK-SZMVWBNQSA-N 446.309 -0.309 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n(C)n1 1786980171 QYMHBEKLRFGWGJ-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794136203 OOJOOOQORVMTFZ-UPHUGPLXSA-N 441.293 -0.193 50 20 IBGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737238 ISPQTDCTXPNCRS-VPTLXERWSA-N 439.277 -0.784 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795816782 SYTXLDGHJNZPKU-FAMUFBACSA-N 443.464 -0.356 50 20 IBGD Cn1ncc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc21 1797083011 NLSRHHMNIAQDPF-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nc(N)n[nH]1 1798308966 AITXTYHTXNOOND-ZSBIGDGJSA-N 427.469 -0.730 50 20 IBGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nn1 1798752979 OJCHMXOWHKTBNB-CCWDJLKJSA-N 440.265 -0.928 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968433 XULBGHDBAGHXOA-UHFFFAOYSA-N 430.314 -0.518 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1810301991 FKRBIBFKBSZRIK-AYOQOUSVSA-N 435.488 -0.072 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)CC1 1828862829 ZQFONNRPPJRQAR-KRWDZBQOSA-N 441.492 -0.206 50 20 IBGD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n[nH]1 1834798294 DFJUGTNGLZLTRH-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cn[nH]c1 1835169832 VWGSBDMCJHSDJI-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198281 BVRPIUNHFHGTAP-JSGCOSHPSA-N 445.307 -0.432 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840588214 WZPPWPBUZKOBKQ-VGSWGCGISA-N 446.309 -0.747 50 20 IBGD CCS(=O)(=O)N(C)C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 731358338 OMZDDRIVHRQVJX-UHFFFAOYSA-N 436.498 -0.237 50 20 IBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cn1 735446432 XHAXTQSYMINHBT-ZDUSSCGKSA-N 433.446 -0.182 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 748825234 UTUDVEISHSWGOU-ZDUSSCGKSA-N 447.558 -0.501 50 20 IBGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)c1=O 757780374 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1840447985 PVLQGSIMTVAOQB-HIFRSBDPSA-N 434.266 -0.185 50 20 IBGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1S(N)(=O)=O 730841572 GQQGYXLLQUBADA-UHFFFAOYSA-N 440.503 -0.032 50 20 IBGD CN(C)CC(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 733359664 MEHOHWZPIUZISR-UHFFFAOYSA-N 439.494 -0.522 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 746300401 STXYVDCQVUMNBY-UHFFFAOYSA-N 440.464 -0.280 50 20 IBGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 748700784 STDICNZUYRRQBO-UHFFFAOYSA-N 445.480 -0.239 50 20 IBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c2ccccc2O1 764397646 AWJZDCRQQWKNMF-CJNGLKHVSA-N 436.465 -0.494 50 20 IBGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764428411 HJGIDXWWRXPURI-CYBMUJFWSA-N 428.467 -0.735 50 20 IBGD CCOc1ccc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c2c1 765732871 XTVCVUHAMXHQBP-UHFFFAOYSA-N 439.432 -0.225 50 20 IBGD CSCCNC(=S)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 770239139 HBAOUIYUHSXRCR-UHFFFAOYSA-N 433.581 -0.358 50 20 IBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772181745 BHSLDVUYSBLWTD-UHFFFAOYSA-N 434.902 -0.552 50 20 IBGD CCOC(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 810593362 ZEDVWOBSROGLJZ-UHFFFAOYSA-N 428.405 -0.928 50 20 IBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 811275554 CUKUPPAWAYBQBP-UHFFFAOYSA-N 449.514 -0.034 50 20 IBGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1OC 816881804 PMUUSESGVMHTFP-LBPRGKRZSA-N 437.478 -0.131 50 20 IBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 818835304 OBNPRCJHSZZWKB-CYBMUJFWSA-N 441.535 -0.245 50 20 IBGD O=C(Cc1nc2ncccn2n1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915802510 NVQOFGATBCUZAW-UHFFFAOYSA-N 429.462 -0.088 50 20 IBGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 919651213 LJFUZYZFAXIDCV-ZDUSSCGKSA-N 442.450 -0.039 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1779031753 XGIPRDBCCGYBFH-UTKZUKDTSA-N 439.476 -0.776 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784093881 IRZRGUVVCOXAAK-WAXYHTEFSA-N 438.912 -0.221 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)c1ccc(B(O)O)cc1 1795732606 BFHQIADSQRTQRZ-FVCICTRLSA-N 429.194 -0.615 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359381 IMXLTQNNNMCBGJ-WIBUTAKZSA-N 438.293 -0.408 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834801298 XSUHSKFNISTOPE-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)o1 1835934202 PNGZLPLMZOBMHY-JOCHJYFZSA-N 442.277 -0.419 50 20 IBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838501277 HDUQDKXNPKFRHF-CRAIPNDOSA-N 439.831 -0.306 50 20 IBGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840184700 BKRSUOFOLDHYIU-HXUWFJFHSA-N 437.497 -0.645 50 20 IBGD NS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728339847 YXRBAWGOWDGMJT-MRXNPFEDSA-N 449.441 -0.381 50 20 IBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)N3CCOCC3)c(Br)cc21 741654176 WHVSLMULZZNWQF-UHFFFAOYSA-N 448.299 -0.125 50 20 IBGD O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)NNC(=O)[C@@H]1COCCO1 745637436 AHXYJRWNOUQKTJ-HOCLYGCPSA-N 442.494 -0.610 50 20 IBGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)C1CCC1 760315896 WEMOOPHZHRBVFL-CYBMUJFWSA-N 440.478 -0.682 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 763716607 JUYWVRRCNJFMBS-UHFFFAOYSA-N 437.478 -0.345 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc1C 778430678 YCAPXABVSIELJL-NWDGAFQWSA-N 425.467 -0.560 50 20 IBGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cnc21 892846860 YLGYWPHHJYZJBT-UHFFFAOYSA-N 431.434 -0.598 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778412400 DZSSQIVFRYSYEF-OAQYLSRUSA-N 435.249 -0.605 50 20 IBGD CC[S@@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1778821737 UCWULUSBGWKFQG-HZAQMHFWSA-N 437.522 -0.713 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cncc(F)c1 1786145663 ORUFFBZBZOLKKE-JVPBZIDWSA-N 427.241 -0.192 50 20 IBGD CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790558828 LFZPKKSDVQIJAC-LEUJJRGWSA-N 444.492 -0.682 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)Br)CC1 1800759516 TWHAOKAQFCMFFH-JJAZEVLHSA-N 445.358 -0.477 50 20 IBGD COCCOCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814304043 DPPMPAXCIDECOB-AWEZNQCLSA-N 433.295 -0.288 50 20 IBGD COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830728056 NYUXXNQZCUCTRA-QAPCUYQASA-N 430.889 -0.801 50 20 IBGD Cc1occc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834136701 JHSSOWUJCRGHTE-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1835929320 KTENMVLFNLXLSS-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198282 BVRPIUNHFHGTAP-OCCSQVGLSA-N 445.307 -0.432 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1840345297 HOFIUYWVNFDDKH-APWZRJJASA-N 428.917 -0.054 50 20 IBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 732086730 HAWUURYVIUAABO-UHFFFAOYSA-N 436.494 -0.120 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 755247431 MUETVGYOPXHBKU-APYUEPQZSA-N 446.485 -0.159 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)co1 755398933 QLKXRCZAQJZYJZ-UHFFFAOYSA-N 444.491 -0.422 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 764001944 HGYUWLBOZAEBSX-MRVPVSSYSA-N 434.268 -0.022 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CCc2ccc(Br)cc21 764228655 ZMJXTGBIWITEMY-QMMMGPOBSA-N 433.284 -0.577 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1 764231741 PRZMXKCCNJVDKZ-LBPRGKRZSA-N 435.462 -0.316 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cn(CC(=O)N(C)C)nn3)CC2)cc1 766641138 DUORNCRGPWVDIQ-UHFFFAOYSA-N 442.524 -0.746 50 20 IBGD Cc1n[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780145752 ZTFKIPVZMVSHAT-WIYYLYMNSA-N 426.282 -0.161 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210427 RWOWUVDUONSJDO-GCKMJXCFSA-N 439.557 -0.212 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785352802 DPNSTRSASQTOQO-SCLBCKFNSA-N 428.873 -0.659 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792976043 KPVWHAFQWHYDIE-NEBZKDRISA-N 431.898 -0.712 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1793536160 MERDYIDIGVNEDP-XQLPTFJDSA-N 431.559 -0.675 50 20 IBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C(F)F)n1 1795734629 VQBVAPIWJLEHPI-YWVIFJGQSA-N 448.235 -0.446 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737375 XLLCMOKUFXCQBT-VYCZESIESA-N 426.282 -0.898 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2 1797753995 OAZWLDPWLSKHRJ-IVWMJMPLSA-N 439.476 -0.655 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(O)c1 1800810757 CCNLUMRUYPWBKQ-FVCICTRLSA-N 426.433 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806771703 LKSVIQFMGLOBKZ-HNAYVOBHSA-N 439.538 -0.495 50 20 IBGD CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806943010 DOECSARDHWVFSP-RHSMWYFYSA-N 439.476 -0.512 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807598623 BMAZEJCJDXYYMN-KXBFYZLASA-N 449.475 -0.309 50 20 IBGD COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813264482 FADRPUKVHRKNDY-LPHOPBHVSA-N 440.265 -0.563 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819894651 ZKLDDCJTSXAFMJ-GDLVEWKHSA-N 432.930 -0.041 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CNC(=O)C2)n[nH]1 1821959579 JOAOODSKMWCZQN-XHDPSFHLSA-N 440.464 -0.150 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cncn1 1826786884 SEDZHTNSXPKVRY-FZMZJTMJSA-N 440.294 -0.099 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826819365 SYSVYSFLYJJKLM-OALUTQOASA-N 444.341 -0.808 50 20 IBGD N=C1NCCN1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054964 QMQYXPZSRLRPST-LJQANCHMSA-N 441.341 -0.560 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1830537445 INHCIZYUOJXLRF-IIYDPXPESA-N 449.346 -0.933 50 20 IBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830727978 MIXZDTDUPFEZPJ-BEFAXECRSA-N 440.884 -0.290 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832817538 JWVVQYLVTQJBOB-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cccc(=O)n1O 1833961285 RLXNBHFQMSMIDU-MRXNPFEDSA-N 426.901 -0.130 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(C)(C)C)CCO2 1835619761 NPJRZHYRMSEKDV-FQEVSTJZSA-N 427.546 -0.796 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931712 YMHOVLMUSWMPIZ-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933952 HZQDOHGOJWQVRH-YLJYHZDGSA-N 436.339 -0.609 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837201054 DWRHRDAXSAEMJH-FZKQIMNGSA-N 435.905 -0.228 50 20 IBGD O=C(Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837626599 HPROCQIWLSGDCY-KBXCAEBGSA-N 426.857 -0.924 50 20 IBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 725897159 WZVOUAICTMBESG-UHFFFAOYSA-N 438.462 -0.992 50 20 IBGD CCN(CC)S(=O)(=O)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748618863 IITSPDFEXQAMAH-UHFFFAOYSA-N 447.583 -0.263 50 20 IBGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1Br 756102494 POBITEPOQFPDKA-UHFFFAOYSA-N 446.283 -0.069 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 763272227 HSKPWYYQCNEZJL-HNNXBMFYSA-N 445.457 -0.476 50 20 IBGD O=C1CN(c2ccnc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2)CCN1 786686206 DOKZJZHMERGYEI-UHFFFAOYSA-N 431.478 -0.614 50 20 IBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 795779235 JORUIHCGUNXUOO-IIBYNOLFSA-N 445.428 -0.562 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 806978362 XXDBOVWYNSFFFQ-SECBINFHSA-N 426.451 -0.546 50 20 IBGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc2)[nH]1 1117679604 XEIGWUOBASXSMM-MRXNPFEDSA-N 436.490 -0.013 50 20 IBGD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1784221552 PMGSDKUINISLEK-YYWHXJBOSA-N 437.305 -0.094 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1787505427 OESWJUZJPAPRFV-PWNZVWSESA-N 425.910 -0.074 50 20 IBGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1 1794087721 QBGHXUNXKAISIJ-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357950 VOCGWDGAUAHDBD-WRWGMCAJSA-N 440.298 -0.048 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnc(O)[nH]1 1810949268 WGYOCLVRNXLUBK-QAPCUYQASA-N 435.249 -0.177 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1811183777 XLAKZUGQJXRSRT-HEHGZKQESA-N 432.868 -0.110 50 20 IBGD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)o1 1815487493 JWZCOENXRMYJOC-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830046599 FPRBXRHUAGUSRQ-DOMZBBRYSA-N 439.282 -0.596 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1832024569 JPJQHFUCZHUKPW-QGZVFWFLSA-N 434.276 -0.438 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cscn1)CCO2 1834255757 TZCYHXQLFIENBN-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835840055 AFCBDJJBSDWCEN-IRXDYDNUSA-N 432.949 -0.691 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837512605 RHDCLBSCVXTLQW-KXBFYZLASA-N 433.933 -0.642 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 16233096 OZSVDQLVFLFOIO-UHFFFAOYSA-N 428.449 -0.333 50 20 IBGD CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758035687 NJRRZIUBVWJXCD-MLGOLLRUSA-N 437.522 -0.064 50 20 IBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 761214174 JFZLVNXQQGAJNX-ZDUSSCGKSA-N 442.494 -0.468 50 20 IBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1S(=O)(=O)NC(C)C 763819485 BXLQTYXCNDMKGU-UHFFFAOYSA-N 449.489 -0.032 50 20 IBGD COC(=O)CSCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764225603 BAPXPALUXRXCIR-SNVBAGLBSA-N 446.507 -0.884 50 20 IBGD C[C@@H](c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1)N1CCOCC1 764227642 OTVLVPIHIBPAFO-OLZOCXBDSA-N 441.510 -0.897 50 20 IBGD CCOc1ccc(NC(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCOCC1 775467582 GBDCTPPYBRCMCD-UHFFFAOYSA-N 429.499 -0.180 50 20 IBGD C[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCN1S(C)(=O)=O 776317051 OGARWWYWEMGWML-NSHDSACASA-N 432.528 -0.700 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)O 782253039 ZEEKPGQEFGAGIA-LBPRGKRZSA-N 433.508 -0.081 50 20 IBGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc21 784003437 FTZXYDXXCPYJCH-UHFFFAOYSA-N 431.430 -0.381 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ncc[nH]3)CC2)cc1 807091506 MDFPKWKHCULMDQ-UHFFFAOYSA-N 434.522 -0.195 50 20 IBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 821119704 YRIBSWRUQZHNNE-ZFWWWQNUSA-N 444.535 -0.329 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 825801597 PZCHZRWBFMMQOW-UHFFFAOYSA-N 429.437 -0.908 50 20 IBGD CN(C)C(=O)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915913273 LBNXNANPAGUXGL-UHFFFAOYSA-N 441.510 -0.941 50 20 IBGD C[C@H](CN1CCCC1=O)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 918100066 LLOQWNYPMYMHHV-CQSZACIVSA-N 439.542 -0.345 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1779029414 XEMBNSBXLSZDLQ-FQEVSTJZSA-N 425.449 -0.839 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779417856 NZVBVTUVRPIEMM-VVWQDTPRSA-N 433.933 -0.595 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784349159 MXIIJBGGUPBOEO-OPAMFIHVSA-N 438.293 -0.662 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1784449451 GRAJEWDBTNTCEC-QVKFZJNVSA-N 441.492 -0.105 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784474458 JDNOUHXLLMZFTM-ZFCGIQHNSA-N 442.480 -0.197 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C)C3)C[C@@H]21 1787508497 ZLOZZJWJXGQPOV-FUPWHNRLSA-N 430.509 -0.338 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795450395 HNEPYVNTJYUDPP-BHTPPFENSA-N 444.492 -0.668 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2)c1cccc(B(O)O)c1 1795739046 SGUOYBNPMVQPSK-JLVBRIDZSA-N 442.306 -0.848 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Br)CC)C2 1797588644 UCOPIQWYMHSLDT-CYRBOEJBSA-N 436.303 -0.186 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798473145 XAMOTFYQCWVJKN-FCGDIQPGSA-N 446.265 -0.887 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1813068627 PHEXGOSPLSGUIO-JXFKEZNVSA-N 446.508 -0.087 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1c1cccnc1 1813070033 DKLSEYVRAZMHBN-BEFAXECRSA-N 428.497 -0.097 50 20 IBGD O=C(CN1CCCC1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339967 YACVJPKKYSGRDY-AWEZNQCLSA-N 442.306 -0.329 50 20 IBGD O=C(Cn1ccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815773174 ORHWCCUWDADLKR-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1)c1cccc(B(O)O)c1 1821097300 RKDFOQZOXBNKHY-GFCCVEGCSA-N 439.262 -0.142 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829831482 MAGILHQVSFKMHB-AZUAARDMSA-N 438.481 -0.858 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)n1 1833309828 AKCNGUBPPCOWQS-CQSZACIVSA-N 427.937 -0.509 50 20 IBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cs1 1834454469 HCVKWKUCGGJKBG-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736541 TYVYRSQGXDOAGF-CVEARBPZSA-N 431.965 -0.595 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H]1CCCO1 1834899924 GCPIQKDHCVWMQY-HXUWFJFHSA-N 429.326 -0.269 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930610 PPLVEDOGYGQNOR-PGRDOPGGSA-N 446.309 -0.991 50 20 IBGD Cc1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937163 QLMJPZQPWDJMKO-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839963359 INOOWTVSMMVXAK-GDZNZVCISA-N 432.315 -0.105 50 20 IBGD O=C(C1=COCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840214631 ONBKCSDXPCJLSN-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840263571 JRDVTLKMMRIEOJ-ZBFHGGJFSA-N 448.245 -0.942 50 20 IBGD CCn1nc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc2c1=O 14044381 XASOZGLLVSNXNJ-UHFFFAOYSA-N 434.412 -0.119 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 29071657 XXLXYYMMGBZNNZ-AWEZNQCLSA-N 444.941 -0.086 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCCO4)cnc21 727749064 IBRHHWANTIGSDJ-UHFFFAOYSA-N 433.402 -0.571 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2)cc1 731667008 MKYIWNCGZFAYAF-HUUCEWRRSA-N 443.547 -0.022 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745443049 ZTKXTBDROCUZOD-NXQUOZRTSA-N 429.429 -0.150 50 20 IBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 758369700 ISNZZSKNINLAGP-CQSZACIVSA-N 441.506 -0.013 50 20 IBGD C[C@@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)NS(=O)(=O)c1cccnc1Cl 760497198 ZOHMJGCFBKRJHY-JTQLQIEISA-N 443.869 -0.038 50 20 IBGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc21 763575177 QWDXVHVNGXIPBJ-INIZCTEOSA-N 426.385 -0.032 50 20 IBGD CCCC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 764227042 LSRKCYCXILDFNN-NSHDSACASA-N 427.483 -0.243 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc(C)c1CC 764231892 QPLWUVVBONVMMY-MRVPVSSYSA-N 448.523 -0.181 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 912918611 ABWUBTJFTXEBRV-KBPBESRZSA-N 440.522 -0.186 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cn1 919132124 GPEBPOWPTXSZCB-UHFFFAOYSA-N 429.842 -0.644 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779501521 LVYBZXQHISEDPZ-LJQANCHMSA-N 430.657 -0.433 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n(C)n1 1786983887 DJYXQUNMUQUQDO-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc4nc[nH]c34)[C@H]2C1 1787357817 ZSULJARGWHUWQM-DZKIICNBSA-N 443.508 -0.076 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1791291087 YJMQJYDLRLPXQP-ZVZYQTTQSA-N 443.508 -0.304 50 20 IBGD C[C@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(F)(F)F 1793692822 XBSRQHSGGSXCTJ-YDXZUZSKSA-N 445.398 -0.798 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795738709 CHBHKHGKDFXCTE-JSJNYSNDSA-N 448.350 -0.171 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2cncn2c1 1797526723 JWHSYUDARAKBGS-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797970321 IBMPFCMAXTVFFX-AICCOOGYSA-N 434.331 -0.099 50 20 IBGD Cn1nncc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369254 DDOCZWZBZOYCIF-APWZRJJASA-N 434.265 -0.477 50 20 IBGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835629081 OFGAHXTYMADUKI-LJQANCHMSA-N 438.485 -0.992 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1835929480 QNMVAIHGWVZSCS-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933595 CZAMPCKZHYGVSN-HTAPYJJXSA-N 446.309 -0.747 50 20 IBGD C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182283 DNOPMWQLQJGAAQ-LJQANCHMSA-N 428.555 -0.265 50 20 IBGD O=C(NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCN(c2ncccn2)CC1 728961255 DQISVKDMQHLECX-UHFFFAOYSA-N 444.540 -0.326 50 20 IBGD CC(C)N1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1=O 734219658 WWOYQOFVRGHZEV-OAHLLOKOSA-N 439.542 -0.347 50 20 IBGD C[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744362068 KYSATVAZUHWGQS-WMESBKTJSA-N 435.458 -0.598 50 20 IBGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229953 GGMPRSBUUSARFK-MRVPVSSYSA-N 446.507 -0.174 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 767277363 HFVZEPIOLKHDHZ-UHFFFAOYSA-N 439.428 -0.512 50 20 IBGD COC(=O)C1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 767848565 BUOOVINQEMMWOF-UHFFFAOYSA-N 448.361 -0.584 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Br)c(F)cc1F 786416538 FIVFSUSTUAAZOV-YFKPBYRVSA-N 443.226 -0.249 50 20 IBGD COC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 792604451 LNRGIVDXGFLNBV-UHFFFAOYSA-N 425.467 -0.086 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 803235814 DPYRNGZRNFCRMA-UHFFFAOYSA-N 427.483 -0.764 50 20 IBGD CC(=O)N[C@](C)(C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 819721426 SQXDGQYNCASFOL-SFHVURJKSA-N 425.511 -0.570 50 20 IBGD Cc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(S(=O)(=O)N(C)C)c1C 919886369 VYSOKMPQFAVQMT-CYBMUJFWSA-N 432.524 -0.315 50 20 IBGD C[C@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c21 1777850710 ROXKCLLRNQQXMH-FPTDNZKUSA-N 438.293 -0.104 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783397277 ZHKAOZHCCUGVAX-OAQYLSRUSA-N 447.297 -0.665 50 20 IBGD CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979448 KGDDPCGLZHRAKB-VLSXENQKSA-N 430.266 -0.921 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1787508562 AVCDLWXTZFQSEV-SMKMMKTPSA-N 441.492 -0.003 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791633405 SDZTUPPALYFPTH-OWSLCNJRSA-N 434.541 -0.128 50 20 IBGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1794338929 WPDGEQXETPEKFG-CCWDJLKJSA-N 440.265 -0.928 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cn1)C2)c1ccc(B(O)O)cc1 1795732548 TZAFLBCVSKIJGZ-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 1801011088 APMCRKPTXAXBCE-YVWYUNDQSA-N 432.477 -0.009 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726104 UUBPKHUFQFQOEG-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310697 YRUCZZKZMNLMTH-XJKSGUPXSA-N 431.965 -0.135 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833752157 BGLAOHSXCRAXTF-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457898 VFNZTPHWFYDKPC-AVBTWRTFSA-N 448.524 -0.872 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839649289 IVHWYVZRSRZMHH-RDTXWAMCSA-N 428.873 -0.829 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840152670 PLDPWGYKBPDNJK-RLFYNMQTSA-N 446.957 -0.277 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012008 URNLLHNUEOASSL-HNNXBMFYSA-N 433.270 -0.974 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2CCN(C)CC2)C1 1845097865 DMDOGTFQMPRUFI-FLVDCRJSSA-N 443.552 -0.040 50 20 IBGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2=O 729276753 LKYLZFMCGHFHAX-CZIZLABSSA-N 431.515 -0.792 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 748616155 WLGQFFZAFYMIOX-CQSZACIVSA-N 444.510 -0.411 50 20 IBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc[nH]3)cc2)CC1 763980389 FLDIDIZMFCCXTD-UHFFFAOYSA-N 428.449 -0.291 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 764228190 VJULHDLKBSQMTB-SNVBAGLBSA-N 427.483 -0.762 50 20 IBGD Cn1ncc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C(F)(F)F 782104815 UUKUUBOGCRVXAE-UHFFFAOYSA-N 443.346 -0.961 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 807381799 JJFMHUOPBIFLJB-MRXNPFEDSA-N 429.481 -0.476 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 810414500 VMURREMMFAGEKJ-CYBMUJFWSA-N 434.526 -0.606 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2nc(N)nc(N3CCOCC3)n2)c2ccccc2c1=O 816806173 URLYHNYVVRSWIN-UHFFFAOYSA-N 439.436 -0.905 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 920240231 OHBJICKNYHKBQU-GFCCVEGCSA-N 446.555 -0.344 50 20 IBGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779037796 IPAMAOIOFISCPQ-RISCZKNCSA-N 425.324 -0.009 50 20 IBGD COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1781810711 AKMMDTHKYJFCQR-DYESRHJHSA-N 444.293 -0.553 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789955071 DODPDXXUAMIFQA-CBVHJVASSA-N 431.298 -0.239 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1792872102 MBADGUBALSXVQG-LSSIXWDNSA-N 428.283 -0.468 50 20 IBGD Cc1ncsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794802683 ORMDBRDPDMGOIZ-JJLQDPRZSA-N 430.490 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C1CC1 1796707511 LZTGKHSAIIWJRT-YWVIFJGQSA-N 436.538 -0.008 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834090412 JFHRWUZSRJBXST-UHFFFAOYSA-N 434.545 -0.627 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1834346004 ASUQUOYPPLFPET-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834616753 WJMAORZHAKQZQG-NRFANRHFSA-N 449.508 -0.005 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834736889 MCONFOUKMKIUJB-HNNXBMFYSA-N 446.390 -0.064 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837515577 RMLUVFLHGDZSDW-VDZJLULYSA-N 433.933 -0.499 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837694497 LQMKTQWVYDIJEK-SUMWQHHRSA-N 432.315 -0.082 50 20 IBGD O=C(c1ccnnc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200875 RJRDKYMCTNGXSR-IAQYHMDHSA-N 433.234 -0.057 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1840183124 RYEBOUDOFDYHDP-GOSISDBHSA-N 432.468 -0.139 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1)NC(=O)NCc1ccccc1 1842134318 SSUJIXXXWFOMBM-UHFFFAOYSA-N 440.508 -0.022 50 20 IBGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 728502401 IKPHVZQFTKFURS-UHFFFAOYSA-N 449.445 -0.179 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)CN2CCN(C)CC2)cc1 730132626 XFDGFORTVPFVNA-MRXNPFEDSA-N 440.570 -0.418 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N2CCOCC2)cc1 730569128 OTQKSDLLENIFDJ-UHFFFAOYSA-N 432.506 -0.052 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnn(C)c3)c2)CC1 735445103 HSKIZCHGSMBWBG-UHFFFAOYSA-N 434.478 -0.652 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c2)C[C@@H](C)O1 748247064 TWODVKOGEKVDDL-OKILXGFUSA-N 438.506 -0.132 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)c1 762737588 NWOSXLWSSZFDBK-UHFFFAOYSA-N 427.464 -0.946 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 763675181 UAMXFJXHVQIAGP-UHFFFAOYSA-N 441.448 -0.748 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1OCC(N)=O 763681852 JUTCVMWDOOMWIJ-UHFFFAOYSA-N 434.380 -0.137 50 20 IBGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764228556 YDQJKDHJMSHAEB-SSDOTTSWSA-N 437.272 -0.519 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 778436687 NBVUWBKTUQKIHJ-UHFFFAOYSA-N 431.449 -0.270 50 20 IBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 784917791 WHYMREQUCBTRSA-UHFFFAOYSA-N 443.482 -0.653 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 912848195 RUGVDIBLBAJFPR-DDHJSBNISA-N 445.501 -0.144 50 20 IBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CC1 1317761641 HFORZJIYSBNWND-SAAWKEMMSA-N 429.520 -0.063 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1779029618 ZZZOMGLQLHVWJA-FQEVSTJZSA-N 425.449 -0.839 50 20 IBGD CN1CCC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1780572360 LHQJJQRBBFLBMS-KKLQWCBXSA-N 443.353 -0.164 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ccnn34)C[C@@H]21)c1cccc(B(O)O)c1 1786984966 DUZMRCCCCGPKTA-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1788611189 OMBJRKPPJFXOHT-XEGUGMAKSA-N 429.437 -0.979 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21)[C@H](F)Br 1789925471 QHNCXPIPVDCIJT-VEABSNGSSA-N 432.246 -0.418 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc2ccnn12 1790341946 KKIZGBFLMZPNIZ-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736666 DEWDRUYFPBDLMU-JJAZEVLHSA-N 434.254 -0.869 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncnc1 1795805594 BIXWWHWNFQLDNX-CCWDJLKJSA-N 439.476 -0.689 50 20 IBGD COc1ccsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798335986 OZXZMXATWJCVMY-XOIINTDNSA-N 430.291 -0.047 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C(C)(C)C)nn1 1798710356 VYOZSAQOCZLFJN-ZSBFGKGUSA-N 435.529 -0.391 50 20 IBGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)(C1)C2 1801012712 GXWXCUDUHKYVFD-LCXLZDMFSA-N 436.509 -0.708 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1802338880 YTTXGRUGDLKIJV-KYZVSKTDSA-N 441.529 -0.159 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1825993123 DRTCNQCJROUOCR-KHQFGBGNSA-N 429.886 -0.093 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1830358554 OOCQEVATOARSLD-SFHVURJKSA-N 430.889 -0.740 50 20 IBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733805 TZJOIYUJBUOWDJ-YJBOKZPZSA-N 443.840 -0.030 50 20 IBGD C[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551444 OGGVLHDAVHPEMG-BIENJYKASA-N 449.932 -0.044 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1csnn1 1833557613 HXORCACEDVCCCB-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD COCCOCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834568759 MGJKDOXAJPBFQF-UHFFFAOYSA-N 441.573 -0.406 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717077 GUWBUUWENZRYRK-LSDHHAIUSA-N 435.905 -0.351 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1836764115 CBQUBIQPDFMGTD-WMZOPIPTSA-N 434.896 -0.859 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519141 XHSGIGQVQLJHIA-DNVCBOLYSA-N 442.900 -0.011 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C(Cl)Cl)CCO4)cc21 1840187957 HMIYNYKVCHBEJV-KRWDZBQOSA-N 446.291 -0.500 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1)NC(=O)NCc1ccccc1 1843081411 NCTHEDWXEYXSGX-UHFFFAOYSA-N 440.508 -0.172 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845755040 GVBXUIMMTPELNR-UHFFFAOYSA-N 425.449 -0.370 50 20 IBGD O=C(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)NNC(=O)[C@H]1COc2ccccc2O1 728323031 RLWMGMOTTRMOOK-WQAKAFBOSA-N 445.350 -0.026 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745480667 FMPSKETUQALEKP-OMNBBPDLSA-N 426.385 -0.975 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 764231355 OUVUUJPCFBDNSK-SNVBAGLBSA-N 427.483 -0.762 50 20 IBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c2ccccc12 764423626 CROCBBJOESKEDD-INIZCTEOSA-N 431.401 -0.107 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1OC 767462348 QXVOTXLBYOPALB-MRXNPFEDSA-N 433.509 -0.121 50 20 IBGD O=C(NNC(=O)c1cnn2c(=O)cc[nH]c12)c1ccc(S(=O)(=O)N2CCCC2)cc1 774329705 MTSCJHNCLOSGBE-UHFFFAOYSA-N 430.446 -0.118 50 20 IBGD CN(NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705353 WRLYFMIDOJFPFG-UHFFFAOYSA-N 426.474 -0.407 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cc(Cl)ccc2F)n(C)c1=O 790069089 UKIRNQNRPGRKHO-UHFFFAOYSA-N 444.832 -0.764 50 20 IBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCCN2CCCS2(=O)=O)CC1 1251919996 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O=C(NC1CCN(C2CCN(C(=O)c3csnn3)CC2)CC1)c1cccc(B(O)O)c1 1834799776 APTDKWRHOCFMRS-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)NC1CC1 1837254441 BWQYBINQYHSKGO-AAAUKVELSA-N 448.289 -0.032 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837384713 FWVQOXOYMALUDE-OGHNNQOOSA-N 449.346 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837718121 XXQNKXVSUXLNRT-IBGZPJMESA-N 444.605 -0.333 50 20 IBGD CC[C@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837913045 KSLCJYRYXIPLFZ-FQEVSTJZSA-N 431.342 -0.023 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840151032 VHBVVNWDJSIMSI-AUUYWEPGSA-N 427.885 -0.291 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186788 PNKCPWJKNZUFJG-IAQYHMDHSA-N 446.353 -0.426 50 20 IBGD O=C(c1cc(=O)nc2sccn12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014318 XFEYISZCQRCHFT-UHFFFAOYSA-N 438.274 -0.433 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846340290 JNHCOXWJFQOZDS-QZTJIDSGSA-N 426.278 -0.061 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)Cc1cc[nH]n1 755407607 AZPARQIREXQJHA-UHFFFAOYSA-N 438.466 -0.165 50 20 IBGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763916717 JTNOIYHVHPCLRH-UHFFFAOYSA-N 427.352 -0.012 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)C1=O 768280598 AOJPOMXWGVJGJZ-UHFFFAOYSA-N 426.389 -0.177 50 20 IBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 779526353 RRHYRVUICYYWTI-BLLLJJGKSA-N 426.495 -0.574 50 20 IBGD O=C(CN1C(=O)COc2cc(Br)ccc21)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915282410 CZLJVMCPZLVULL-SECBINFHSA-N 446.279 -0.243 50 20 IBGD Cc1ccn(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028900 PLBMKMFKSFKJDO-FQEVSTJZSA-N 427.465 -0.666 50 20 IBGD Cn1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)cn1 1779371226 USRTYIGINCTDOM-DYESRHJHSA-N 441.492 -0.140 50 20 IBGD CCN(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781452393 KTOQNYPNRWPRJJ-DKZVUGQWSA-N 431.342 -0.166 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785149718 PTZLMIMBCYNREM-NWBUJAPZSA-N 445.314 -0.405 50 20 IBGD Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1F 1786980071 FUEFXJSQBFIHGS-BPUTZDHNSA-N 430.245 -0.556 50 20 IBGD CN1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786984832 OSQHVSKONWDEDZ-UMGGQSCQSA-N 429.326 -0.699 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795521781 MJAVOHMWNBFNMY-LSCVPOLPSA-N 442.247 -0.526 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cn1)C2)c1cccc(B(O)O)c1 1795737253 KVBLPCCRYJSSIX-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1797754005 JATPETMRGUUXRD-DBWKPXFBSA-N 440.460 -0.768 50 20 IBGD CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095093 TWHTZYCZWBPRHS-RMFSNUHRSA-N 447.536 -0.041 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2nn[nH]c2c1 1800140388 KLZOJZKBXGWOGC-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD CCN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1802171949 DKHZZBZVUUXSEA-OPVJXMOQSA-N 429.326 -0.699 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363471 FBRBXIDMWPRWIU-ZTQAJYAQSA-N 438.293 -0.408 50 20 IBGD C[C@@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815292897 HZDREYVCRMYARB-LRDDRELGSA-N 427.270 -0.093 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354912 XFPKXINHVZOSLX-ABAIWWIYSA-N 444.322 -0.085 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728553 UOVMTNYGVPOAJZ-LIRRHRJNSA-N 437.884 -0.293 50 20 IBGD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cc1O 1833410126 WJNRXZUEKOQOJS-SWLSCSKDSA-N 435.250 -0.114 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccns1)CCO2 1833773333 UWDHULKTODJYTD-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392498 AFVUEXNIJAHWCF-QAPCUYQASA-N 448.358 -0.194 50 20 IBGD Cc1ncoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929634 ZQEHPWLIEVMEQS-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)O1 1836901358 HHTWLYSXGBNVHV-SFHVURJKSA-N 445.281 -0.913 50 20 IBGD Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460035 ZQENEDNSTQNPOH-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642984 VVUDJYQPYCUEHS-BZNIZROVSA-N 429.271 -0.377 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840068623 NFPDWMICZDXEJR-LJQANCHMSA-N 425.461 -0.403 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840152099 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IUOHDVMXAOEICN-UHFFFAOYSA-N 436.494 -0.060 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)C(=O)C1=O 768278009 VFUBQPKKQKPBLZ-UHFFFAOYSA-N 444.448 -0.454 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 771857390 WYKDJYSFBJQPCN-NWDGAFQWSA-N 430.483 -0.723 50 20 IBGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 774362748 NEUFBDXVBQQTOL-UHFFFAOYSA-N 437.369 -0.909 50 20 IBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 809724489 MGFRKDIBPYRFFK-UHFFFAOYSA-N 438.488 -0.197 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778730393 NADHNJLIWMIHHP-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1786979746 OHLIPCTZYNZFDM-TWLHIMTCSA-N 441.337 -0.700 50 20 IBGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nn1 1795740279 NHBNMLDNUXXEFO-CCWDJLKJSA-N 440.265 -0.928 50 20 IBGD Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1F 1797749517 BTGBTCGVQRBUGD-DRXBFXEBSA-N 445.455 -0.617 50 20 IBGD CN(CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1803148916 YODXVPDXTRFZPD-NFAWXSAZSA-N 426.857 -0.770 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812648142 HDPUSXBWCWKBPJ-LXGCGDOSSA-N 438.293 -0.394 50 20 IBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)c(=O)nc1O 1814035411 MGWLBRJDPVPMHY-YQQAZPJKSA-N 449.895 -0.042 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CCN1 1822479061 NVEAGTYICJSYHE-RHSMWYFYSA-N 439.281 -0.078 50 20 IBGD CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C(=O)O 1826085246 LDNJVYLZCVQACB-JQWIXIFHSA-N 440.526 -0.509 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830543396 QZMUNVLZSZPFKM-SJCJKPOMSA-N 443.298 -0.129 50 20 IBGD Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1C 1831975372 IYULSAZMDUQDHK-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840150171 HDSLMYGCUZPYHZ-AUUYWEPGSA-N 443.884 -0.988 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840182284 DXPUOULNBDGTSE-NRFANRHFSA-N 449.508 -0.710 50 20 IBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893154 HWOBLXSFVRBFCQ-CYBMUJFWSA-N 436.372 -0.049 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1)NC(=O)NCc1ccccc1 1842797702 MPZPGXYMQKAGFN-QGZVFWFLSA-N 442.520 -0.185 50 20 IBGD O=C(COC(=O)CNC(=O)OCC(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 728330259 HCKJRYPHGGUKAG-NSHDSACASA-N 435.311 -0.195 50 20 IBGD C[C@H]1COCCN1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 729613468 CPLCHKNHQRCJGC-HNNXBMFYSA-N 441.558 -0.636 50 20 IBGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NNC(=O)Cc3cccnc3)ncnc1-2 729623806 JHCRLJIHTMLOMS-UHFFFAOYSA-N 448.285 -0.121 50 20 IBGD COC(=O)NCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 730740661 LCVOEWPXTIXOGN-UHFFFAOYSA-N 442.494 -0.466 50 20 IBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c[nH]1 746229752 SQOKOPQRWFRESO-UHFFFAOYSA-N 433.368 -0.128 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(NS(C)(=O)=O)cc1 747046550 AYGMIOUYOOGBSC-UHFFFAOYSA-N 440.507 -0.517 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 751621859 UCGWCTYSFBXQSW-UHFFFAOYSA-N 429.414 -0.640 50 20 IBGD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 755138203 CDCHKPILSWCXGM-CQSZACIVSA-N 436.538 -0.153 50 20 IBGD COc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 755403506 CSRHJTCCFWFKSQ-UHFFFAOYSA-N 435.828 -0.051 50 20 IBGD Cc1nc2cc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2o1 757707839 BBKTYYKBHIYGIG-UHFFFAOYSA-N 426.393 -0.264 50 20 IBGD O=C(CCCc1ccccc1)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 764223530 GXHJEWCBYTXXAO-UHFFFAOYSA-N 442.476 -0.149 50 20 IBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)CNC(=O)c1ccco1 792118504 ZENZOEXLUNAENU-MRXNPFEDSA-N 430.339 -0.212 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)NC(C)C)CC2)cc1OC 800724296 ZHTYSYBZVVSSGD-UHFFFAOYSA-N 435.481 -0.866 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1F 806979344 ZCMMQWZUPRJFLS-UHFFFAOYSA-N 440.409 -0.396 50 20 IBGD CN(CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 816509703 ZCXLYKSGWCBNAO-ZIAGYGMSSA-N 432.543 -0.100 50 20 IBGD CN1C(=O)C(=CNNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N(C)C1=O 920978507 GITGSHYSWKGOIR-UHFFFAOYSA-N 435.462 -0.360 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1779028704 IXWBZHIYABXWBB-VBKZILBWSA-N 427.465 -0.414 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783533133 QZBGTUTVANKOHB-PXAZEXFGSA-N 425.088 -0.407 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1783880088 FURXSWHFUCXFBO-ZJNRKIDTSA-N 435.905 -0.087 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984138 LSSHCYBVDQFNMR-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506571 IBYILVLKPJINCZ-DZYDDEDGSA-N 432.481 -0.764 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2)[C@H](O)CCl 1792975704 WEKBEMZBLACNJY-ZDFLXESQSA-N 449.891 -0.138 50 20 IBGD COc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccn1 1801010568 HPRXFHHCSYXVPR-FAQVEIGNSA-N 447.536 -0.015 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cncn1 1807367980 PCYRLMKMRLRROP-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnn1 1812396817 ZIFMQNDIJZKUEM-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD O=C(Cn1cccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815710391 AYJFXCLTIPVIIP-AWEZNQCLSA-N 425.279 -0.055 50 20 IBGD O=C(CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)N1CCCC1 1830726363 QIMZEFJWHUSPAG-DNVCBOLYSA-N 431.917 -0.555 50 20 IBGD CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834870104 SXFYEHBNTNSMRI-FQEVSTJZSA-N 433.465 -0.876 50 20 IBGD Cc1c[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937407 UKDYTUMEXUZOKY-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD O=C(Cc1ccsc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836096739 LYCXDEHEZXVHLJ-NRFANRHFSA-N 444.318 -0.259 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836966591 FMFCKKFGESYJEZ-KDOFPFPSSA-N 428.873 -0.665 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839200086 DEEIQTBCYLIEIE-IUODEOHRSA-N 449.281 -0.534 50 20 IBGD Cc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183768 YUPQTYNZGPIOPP-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840230483 LLQXAGDRHXQMMN-DNVCBOLYSA-N 427.574 -0.180 50 20 IBGD NS(=O)(=O)c1cnn(CCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 728211474 USPLAFBKGTUMNX-UHFFFAOYSA-N 428.496 -0.495 50 20 IBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 732052684 XQUYEXVXGYDPKB-KRWDZBQOSA-N 442.480 -0.863 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)CCOc3ccccc3)cnc2n(C)c1=O 764166449 KABZQCNCQOKRMP-UHFFFAOYSA-N 440.416 -0.813 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1Br 764431921 GEDPULJGNZYCEP-NSHDSACASA-N 430.211 -0.263 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2nc3ccccc3[nH]2)n(C)c1=O 765730603 MJKQBZLMEVLGJW-UHFFFAOYSA-N 438.448 -0.520 50 20 IBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(OC(F)F)c1 784000300 YCZFVXRHRXWTOV-UHFFFAOYSA-N 428.348 -0.217 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C 792704845 NFNFTJQCFYUOIQ-UHFFFAOYSA-N 444.853 -0.048 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)CN2CCCC2=O)cc1 918100295 WGDWFTPVZJJDFC-AWEZNQCLSA-N 425.511 -0.043 50 20 IBGD COc1cc(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC 1319661696 AUPVWHUUIHQJQF-NSHDSACASA-N 430.483 -0.062 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779325118 LYWHYFQYFDKIRP-ZHRRBRCNSA-N 438.293 -0.295 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961572 UHSLOTQWGPVMQS-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1783187137 ZDNOZSPOLXJZEB-BTVXTAIASA-N 432.481 -0.524 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783534496 VIUCKQKRONXTHR-DIFFPNOSSA-N 440.298 -0.088 50 20 IBGD CN1CCCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784115693 JMGMNNKQKLIGJS-LEAZDLGRSA-N 429.326 -0.556 50 20 IBGD O=C(CN1CCOC1=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805761991 GVOAIAHGUMVASH-UHFFFAOYSA-N 429.282 -0.337 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815069751 ZCFMSBKWEZYZHX-GHMZBOCLSA-N 439.542 -0.979 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)CC2)c1ccc(B(O)O)cc1 1815337239 PNBDENYEFLEMEQ-HNNXBMFYSA-N 438.274 -0.004 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccncn1 1835145407 FOOLEEIUIDJSHM-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)O1 1836604595 OMQZASZQOSIXEN-FQELHTAISA-N 432.282 -0.996 50 20 IBGD Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838203281 ITGUUKFLIGIQTH-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1841858272 WMZIITCGTFNIPH-KRWDZBQOSA-N 439.321 -0.026 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccccc1I 758047090 VLLFSCKXJLEHFX-QMMMGPOBSA-N 425.248 -0.081 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2cccnc12 773496440 MCFAIXRAHBWADQ-MRVPVSSYSA-N 445.404 -0.140 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 893187421 FYERXIRWLFSEBR-VXGBXAGGSA-N 435.549 -0.208 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 915685555 DAPSFWTYFOQCOO-NEPJUHHUSA-N 435.549 -0.127 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1777864916 QFTOCNJOOYIDHO-OXQOHEQNSA-N 436.896 -0.080 50 20 IBGD CCn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1C 1779032703 SUXGTQVPRXLYBM-OAQYLSRUSA-N 441.492 -0.033 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406131 KHPXHJOJHQVVSM-AJNGGQMLSA-N 434.331 -0.098 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cncc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786980944 GOUGCFMVSHEBEL-YEWWUXTCSA-N 445.231 -0.053 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1792963797 OHIMHAWRJZVECS-XUXOIFHUSA-N 444.293 -0.841 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)c1ccco1)C2)c1ccc(B(O)O)cc1 1795736804 KWLBBFRTCMUPNI-XOIINTDNSA-N 434.204 -0.045 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795738710 CHBHKHGKDFXCTE-WOUAJJJCSA-N 448.350 -0.171 50 20 IBGD COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796368223 GBOSYAFVLHQJBW-FSDCSDTHSA-N 440.896 -0.193 50 20 IBGD Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804743689 JLRHBQSHRBKHMQ-APWZRJJASA-N 434.265 -0.477 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368768 YOSPCHQVPYNJJR-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)C(=O)C(=O)O 1812389383 ZPMKSYYQPAUKAS-YDHLFZDLSA-N 426.857 -0.770 50 20 IBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813264474 FADRPUKVHRKNDY-APWZRJJASA-N 440.265 -0.563 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CS(C)(=O)=O)sc2C1 1814327446 CGECDAFVTLCXOC-SNVBAGLBSA-N 431.540 -0.527 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1819796056 YVFHSHGYMQATET-TVQRCGJNSA-N 443.489 -0.354 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833864523 JLBPWXIEZGJBGT-KSSFIOAISA-N 430.889 -0.248 50 20 IBGD CC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835457997 QNVGVAAERPAQTG-SFHVURJKSA-N 427.408 -0.590 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCCC3)C2)C1 1837456721 MSBBEFQOTJYIEA-OAQYLSRUSA-N 431.493 -0.055 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840129337 QJVXNJWSMGPYIK-VFNWGFHPSA-N 432.282 -0.948 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840183377 ZWFIQWSTVQFNNY-ICSRJNTNSA-N 438.481 -0.858 50 20 IBGD O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)NC1CC1 726619964 USQJVXXBBJEFLS-LBPRGKRZSA-N 444.897 -0.163 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 740852049 IFIUGQILARFDGA-UHFFFAOYSA-N 446.551 -0.236 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC3CCC(C(N)=O)CC3)nc2)CC1 747583847 PAEYZMIWTKVLEA-UHFFFAOYSA-N 439.542 -0.312 50 20 IBGD C[C@H](NC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 751616622 FSOBQWYNFYBSSG-NSHDSACASA-N 425.536 -0.286 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 755358540 FCGWDJRVEXWBTO-NSHDSACASA-N 435.528 -0.193 50 20 IBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c2ccccc2O1 764397649 AWJZDCRQQWKNMF-CZUORRHYSA-N 436.465 -0.494 50 20 IBGD CO[C@@]1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCOC1 764805433 PXIKSRCTXBIXRN-QGZVFWFLSA-N 428.515 -0.551 50 20 IBGD COc1cc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)cc1O 764819997 XKAXPAOXALTWOJ-UHFFFAOYSA-N 430.421 -0.303 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C#N)c(Br)c1 788490597 DOVPRFXNMPMLLU-ZETCQYMHSA-N 425.286 -0.432 50 20 IBGD CC[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 790139657 NRFKGAQIKQPNMO-INIZCTEOSA-N 441.506 -0.013 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cn2)C[C@@H](C)O1 814655087 SHFGBGBKHUAIAL-HZSPNIEDSA-N 445.484 -0.474 50 20 IBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)o1 917105272 JBUUAINDVKIRTI-UHFFFAOYSA-N 441.491 -0.793 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1782170705 UBICBSCWOPFVPG-WOSRLPQWSA-N 441.849 -0.521 50 20 IBGD N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccn1 1786870823 CEFLVBZFGOZPDP-LWCVALJOSA-N 438.293 -0.945 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979607 CSDJGZMDKIYXNZ-WDSOQIARSA-N 449.276 -0.684 50 20 IBGD O=C(Cc1ccc(O)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791709808 QPCUTENXKHCXJD-YSSFQJQWSA-N 439.277 -0.697 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1F)C2)c1ccc(B(O)O)cc1 1795732677 KFUHWIYIVVTZMG-FVCICTRLSA-N 431.204 -0.443 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccn2c(O)nnc12 1796190981 LKBGRUVYTYYDEJ-MUJYYYPQSA-N 435.249 -0.320 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1Cc2ccccc2CN1 1796370503 AJQKOUXWQVMNJP-NPDDRXJXSA-N 449.316 -0.716 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)ccc21 1796979464 DVWZWLFEDXBSSP-DLTLXFJOSA-N 436.896 -0.320 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1800976712 DKNHONGVPCKIJI-NPJQDHAYSA-N 434.873 -0.675 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCOC1 1801581583 WNSHNQOBXKKDND-BKEDOTJMSA-N 431.493 -0.295 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801972492 VYEWAZSCDIJKCN-XFMPKHEZSA-N 428.873 -0.899 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361988 YKYSSVDAIWKBPE-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1833851353 KTTRXOJZMDJAKO-NRFANRHFSA-N 442.476 -0.593 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457900 VFNZTPHWFYDKPC-OXTHUFEASA-N 448.524 -0.872 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1837460667 IOHCJCQTHIKCJP-QPDBELLOSA-N 429.477 -0.445 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799260 YJTGSLABBODRIU-BDJLRTHQSA-N 431.833 -0.358 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837905276 ZCTRYPZBTQVMMI-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839696887 WRNXMNWWYAKMJJ-NYUBLWNDSA-N 444.318 -0.689 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011259 KTBLZFNOJOBOPG-ZVHZXABRSA-N 437.265 -0.683 50 20 IBGD O=C([C@H]1CC[C@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014389 FPLSHYDSPDSPTR-WMZOPIPTSA-N 425.294 -0.416 50 20 IBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C1=CN2CCS(=O)(=O)N=C2C=C1 12804442 QHUXROKWTNIVML-UHFFFAOYSA-N 438.491 -0.762 50 20 IBGD O=C(CN1CCN(c2ccccn2)CC1)NNC(=O)c1csc(N2CCOCC2)n1 740740699 ZDWYVJNEXZWNBE-UHFFFAOYSA-N 431.522 -0.042 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 751622419 ZROAGYFLLHYABR-UHFFFAOYSA-N 429.414 -0.640 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764423879 DFCHMUJXIKUJMK-GOSISDBHSA-N 431.493 -0.280 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 767824045 VTTWSDIYSARGHO-ZNMIVQPWSA-N 437.522 -0.128 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc2O1 784005371 XSRZJNQUZWBWMK-ZDUSSCGKSA-N 445.457 -0.835 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ncc(C(C)(C)C)o2)n(C)c1=O 801634854 XIZQKNITMCYCDF-UHFFFAOYSA-N 431.453 -0.501 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCn1cncn1 832755619 ARMJQZDYZFEROC-UHFFFAOYSA-N 436.494 -0.531 50 20 IBGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212674 UAQXCDOMCWXLDN-GFCCVEGCSA-N 436.487 -0.598 50 20 IBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)CN3CCCC3=O)CC2)c1 920433149 PLAYQHPBGCXFIN-UHFFFAOYSA-N 437.522 -0.783 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1778801802 KFQQRGYLBNVANV-ICSRJNTNSA-N 426.514 -0.223 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028197 GTYCVRNRWCZQIO-VFNWGFHPSA-N 441.492 -0.339 50 20 IBGD Cc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779028220 HHDHHSPUGDFRCQ-IBGZPJMESA-N 431.428 -0.387 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785442316 FVYNNZFZGRHKKS-UWJYYQICSA-N 446.508 -0.567 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(=O)oc1 1786279663 YDXYGNKGEMUSHM-WBAXXEDZSA-N 426.234 -0.773 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978802 XKMCHTKZUKTPCY-QRTARXTBSA-N 443.221 -0.225 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(Cl)nn1 1788835877 GLYUWGVXTBWPIA-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1791254110 NFZDPNIEPXEVIU-XSLAGTTESA-N 442.988 0.000 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794319690 FXOPRNXHBHZBOJ-OCVGTWLNSA-N 445.925 -0.058 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734675 ZMWMSETWFWLVDU-FAYQHZLMSA-N 444.322 -0.473 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736805 HGDZHOBSVAMDOA-VYCZESIESA-N 426.282 -0.664 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2ccnc2c1 1797445723 AAXIORPFUYYDNG-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753155 VORKEYZAEGEKEQ-ZSBFGKGUSA-N 445.476 -0.602 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799275416 XBQJIFDWHJNBIK-ZFHGCVPZSA-N 429.109 -0.194 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011377 INFLYCJJZJVMCH-MFCZKXCZSA-N 432.525 -0.155 50 20 IBGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814321600 GURXVBCMAXBJEM-GFCCVEGCSA-N 437.308 -0.907 50 20 IBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012448 PTMLQWMNVZZBLG-ROUUACIJSA-N 426.278 -0.061 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1843585401 FTIVQTXIXGIVIP-UHFFFAOYSA-N 440.221 -0.191 50 20 IBGD CN(C)CC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 727761598 RWVNHVPVGLOFNO-UHFFFAOYSA-N 425.511 -0.991 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 731848772 LQIGTMAJKMQFQK-ZDUSSCGKSA-N 428.511 -0.044 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1C 734684995 CQFIEIABQODDFZ-GOSISDBHSA-N 432.525 -0.021 50 20 IBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)c1 752513579 GBRAVWNVOOPDCC-NWDGAFQWSA-N 440.478 -0.426 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)CCOCC)c2ccccc2c1=O 757628468 WVRVLFHHFXHNQX-UHFFFAOYSA-N 439.494 -0.477 50 20 IBGD NC(=O)c1cnn2c(C(=O)N3CCN(S(=O)(=O)CBr)CC3)ccnc12 758512208 JFTFFBDLXCUFIY-UHFFFAOYSA-N 431.272 -0.732 50 20 IBGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 764168166 NUVHOEYGVOYTEB-UHFFFAOYSA-N 444.448 -0.703 50 20 IBGD Cc1ccc(-c2ocnc2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766634289 FURQGOZVOUIKKG-UHFFFAOYSA-N 437.416 -0.142 50 20 IBGD Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1C(N)=O 782407160 DBTWCLUVFKOITJ-UHFFFAOYSA-N 429.318 -0.888 50 20 IBGD CN(C)CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788015124 YRZBUPQJQRETKC-UHFFFAOYSA-N 443.526 -0.770 50 20 IBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)C(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)C1 788408775 PRHOSXOJYAREAU-ZIAGYGMSSA-N 434.540 -0.095 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514535 GAFOWCPUMIVUCH-VOJFVSQTSA-N 427.479 -0.070 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 819727452 GADQZYVXVWVVJM-DZGCQCFKSA-N 431.511 -0.041 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1778857436 JMOVDVTZQSPFCX-UVLLPENVSA-N 427.310 -0.850 50 20 IBGD CCCNC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029780 YPIYRABKYZLIRC-OAQYLSRUSA-N 446.508 -0.565 50 20 IBGD Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nc1C 1785574560 CGFFRDNJVMPWLG-JYJNAYRXSA-N 448.524 -0.235 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc[nH]3)[C@H]2C1 1787417643 YFLSNNLMCJTWBF-ZLIFDBKOSA-N 427.465 -0.756 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21 1787509029 XJABMGSDPNRFOS-HMEDOYGISA-N 449.537 -0.273 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1O 1794524580 KMQVGSOJCSWUHH-IVWMJMPLSA-N 425.445 -0.092 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc2n(n1)CCNC2=O 1794972598 IMOVBJWNYXFVEB-FQPOAREZSA-N 444.261 -0.480 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734253 LBIGCCIFOOJCIR-ALXJQNPVSA-N 449.276 -0.765 50 20 IBGD COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1F 1795911450 HCMMTNBFIZNQSJ-IVWMJMPLSA-N 437.472 -0.195 50 20 IBGD O=C(COc1ccc(O)nn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796193116 LXLRYHNLYIUWKY-MUJYYYPQSA-N 426.238 -0.807 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCSCC1)C2 1798439898 LHRIMLFZNCVADU-QDMKHBRRSA-N 432.550 -0.014 50 20 IBGD O=C(CCn1cncn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813317351 MVJPKIYUKWTYKH-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cnnn1 1813467968 BZBAZXHBXZKHGX-DKSSEZFCSA-N 449.280 -0.671 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738074 LRXQTTIONIGIHQ-KUHUBIRLSA-N 449.932 -0.043 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831488002 UQZKLKRYQKQXDE-PXNSSMCTSA-N 436.339 -0.609 50 20 IBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1832762819 IRUXQBDZHZZLMQ-DNVCBOLYSA-N 427.885 -0.311 50 20 IBGD O=C1CCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835411817 NVKUBBHGKNCVHV-GDBMZVCRSA-N 436.278 -0.244 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837377083 HMPYABPBCRWFOW-GUYCJALGSA-N 449.346 -0.065 50 20 IBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839090523 FFOBCOIJQZPFHO-IFZYUDKTSA-N 431.493 -0.199 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839152423 YXDKOIPQMPSUAD-JCURWCKSSA-N 439.340 -0.728 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840153526 RYGGYCHXBPRSSL-BZNIZROVSA-N 431.833 -0.358 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840153773 ZCNAFPQLBVUBGO-RDTXWAMCSA-N 433.889 -0.461 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840153799 ZPWXAQOVMNWVGE-GUYCJALGSA-N 436.962 -0.819 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840181574 DHABDWZZKYFGHX-JKSUJKDBSA-N 427.281 -0.138 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)NC(=O)NCc1ccccc1 1846196261 DNROIPYQUIBWBZ-UHFFFAOYSA-N 427.461 -0.376 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 9930772 YOWKVPITCPRTAO-OLZOCXBDSA-N 435.458 -0.343 50 20 IBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccs1 729530632 FFDURZRDVBCVFJ-ZDUSSCGKSA-N 428.478 -0.086 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOC[C@H]3CCOC3)nc2)CC1 731763098 TUHSWGLJCVYWLW-HNNXBMFYSA-N 442.542 -0.303 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)C(=O)N1CCCC1 748247002 IZNTZFBVHBQWGN-UHFFFAOYSA-N 440.478 -0.714 50 20 IBGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(OC)c1 764426444 UTISXSTVMNOQQD-HNNXBMFYSA-N 433.421 -0.550 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3ncn4nccc4c3=O)CC2)cc1 765747168 DHHHHGXFCWRDAZ-UHFFFAOYSA-N 438.492 -0.835 50 20 IBGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 773530864 JFICTOCPZCNBIK-UHFFFAOYSA-N 439.450 -0.210 50 20 IBGD CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCCS1(=O)=O 777833671 YQMKCDQFAVSHFK-LBPRGKRZSA-N 446.389 -0.127 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F 779833123 XPPDFRMXSZIUCN-SCSAIBSYSA-N 435.814 -0.436 50 20 IBGD C=CCNC(=S)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 798306250 BVXYDHMQTIIQPR-CQSZACIVSA-N 427.552 -0.103 50 20 IBGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778816 GXSRNDPXWWINHQ-CVZTXRPJSA-N 437.478 -0.236 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779054641 NOYGQJFKROHEPK-BTYIYWSLSA-N 439.281 -0.900 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1779371244 WUCBFFJAPUACBA-GCKMJXCFSA-N 444.492 -0.909 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784374448 UTZYZMBBFIECKT-FCEWJHQRSA-N 441.916 -0.459 50 20 IBGD C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784491804 YFFBHEIUOZIFMU-IHPCNDPISA-N 430.310 -0.058 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)on1 1786071021 JRBLHNCDXGETOG-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD Cc1ccn(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789385337 CPSHNCVTGVXFCP-WDSOQIARSA-N 425.294 -0.080 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791058175 SSIWXKRQENZYRE-XTBFLFJDSA-N 439.115 -0.257 50 20 IBGD N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1 1795677506 CMWJOOBNDONXFT-NZGUISNBSA-N 438.293 -0.945 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2)c1ccc(B(O)O)cc1 1795734747 YQYYRFYYPLWQDT-CWPLJXCYSA-N 434.261 -0.240 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(O)c1 1795739943 ULUQEQWFJHNTTK-YVWYUNDQSA-N 440.261 -0.402 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c(c1)OCO2 1796784116 HTYCVISECFRUDL-CWPLJXCYSA-N 438.245 -0.388 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373887 VEEQZWZGDZZNCN-WNYOCNMUSA-N 438.293 -0.394 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)N1 1817470969 AUZPOJPHXPLXMD-HOCLYGCPSA-N 425.254 -0.326 50 20 IBGD Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831841483 NGKJQXDEDYKOBU-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832474873 QHBXMORAMMKGCH-ACJLOTCBSA-N 430.889 -0.598 50 20 IBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1838193861 ZOXJCFRWCPMDCN-KXBFYZLASA-N 426.901 -0.183 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840156603 WPOYSMOBXNSLJZ-KDOFPFPSSA-N 434.921 -0.930 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1 1840355407 TVBSWTNETBHECR-DYESRHJHSA-N 435.525 -0.122 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841827133 YTQOZXNMRINOHD-UHFFFAOYSA-N 447.345 -0.143 50 20 IBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 733659738 CICWFICTAHVVRE-ZDUSSCGKSA-N 434.540 -0.231 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764211956 NNYYWDOZBWBZRB-UHFFFAOYSA-N 442.542 -0.569 50 20 IBGD CCOC(=O)c1c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 775767921 UXJSZWQTBRBECT-NSHDSACASA-N 441.466 -0.230 50 20 IBGD CC[C@H](C)Oc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccn1 777420511 TXOAHCUWHPPHIO-NSHDSACASA-N 429.437 -0.533 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(C(=O)OC)s1 793451899 UZGRSHPQEDGVRS-MRVPVSSYSA-N 443.463 -0.515 50 20 IBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 915141087 BWHGPKWZHWSSMD-IUODEOHRSA-N 439.490 -0.110 50 20 IBGD Cc1nccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)n1 1778310414 YKDWYSVYKNXFDP-DENIHFKCSA-N 438.293 -0.094 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1ccnc1 1784254565 XUTRNSHDMQEBLL-XIVBQZFQSA-N 426.282 -0.583 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(F)c1)C2)c1cccc(B(O)O)c1 1795739939 TWWSHGNCXGPORQ-CCWDJLKJSA-N 428.225 -0.272 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c[nH]nc2c1 1796167233 PBYVHWTZUCBJHN-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C(F)F)n1 1796701394 SPCAJRVVPWOJJW-YWVIFJGQSA-N 448.235 -0.446 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3cncc13)C2 1797751650 LPMIORQFYUNUKH-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)[nH]n1 1797851617 OAXBQRLSGFPVMR-IHHIPJHASA-N 441.492 -0.016 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C(F)F)n1 1798166491 YQYNTDPJEVESKU-DRXBFXEBSA-N 428.440 -0.146 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051081 MVHLYTFYCWGBBS-OALUTQOASA-N 444.341 -0.808 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836046254 ZWYRPLRAOPXIQT-LJQANCHMSA-N 439.538 -0.485 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840184735 CPTUIGYMVAFRDS-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840595663 FQBWIPSBNSQMGI-FQEVSTJZSA-N 426.514 -0.879 50 20 IBGD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015510 LADPYLOGPBDNMP-UHFFFAOYSA-N 433.320 -0.956 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 725741297 NVFYYKJVQQPDNK-GOSISDBHSA-N 439.428 -0.368 50 20 IBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2C1=O 728854544 XLNKGLAKSUFNCR-UHFFFAOYSA-N 444.473 -0.072 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 743294008 PCFPDOIPSYFKNY-LBPRGKRZSA-N 438.510 -0.028 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1 745353544 NJAMJZWDZNNTIB-GFCCVEGCSA-N 437.478 -0.292 50 20 IBGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756257974 OWZBJOLRKYCPJE-LLVKDONJSA-N 443.482 -0.742 50 20 IBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1ccn(CC(=O)N2CCOCC2)n1 756661164 YWOMDIFLYFPRBL-UHFFFAOYSA-N 430.421 -0.020 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 758047310 LGASKYWMEQWRJX-MNOVXSKESA-N 438.553 -0.705 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cn2)CCN1 763839248 HKFTXKDZVOLCLK-UHFFFAOYSA-N 430.396 -0.678 50 20 IBGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 771142102 DSHMAZVELAARHK-UHFFFAOYSA-N 434.427 -0.470 50 20 IBGD CC1(C)OC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)O1 783274124 GOROQSMWZYNANP-AWEZNQCLSA-N 442.494 -0.197 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3cccc(F)c3[N+](=O)[O-])cnc2n(C)c1=O 790994345 UZOLJDAWJMBICX-UHFFFAOYSA-N 431.340 -0.239 50 20 IBGD CC[C@H](C)n1ncc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 792479097 SRAQNJGOVMFECD-JTQLQIEISA-N 431.457 -0.237 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ncccn3)CC2)cc1 812534446 NMRUZWMCYBJCHU-UHFFFAOYSA-N 446.533 -0.128 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779417789 NXPSOXJMWNMPBD-KJWYOANISA-N 448.358 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1783934103 YBXKWJBRFTYTEH-UTKZUKDTSA-N 432.525 -0.326 50 20 IBGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784513053 MSBQRPOZKLLPOM-KKUMJFAQSA-N 444.554 -0.755 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981081 PVFOQPIQQLUFBG-ZXUJOAJASA-N 439.277 -0.328 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611289 SKUNFCWZQYSWHF-XDKFSHSGSA-N 445.520 -0.149 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611421 APAYIMFAFJENCD-IGISWZIWSA-N 433.509 -0.315 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cc(=O)nc2sccn12 1798412277 RGDBDCICJCIFTB-IQOUGMIPSA-N 426.882 -0.441 50 20 IBGD Cn1cnc(C(=O)N2CCCC3(CCN(C(=O)c4cnccc4C(=O)NN)CC3)C2)n1 1808000526 QYZCYDKLLBSICX-UHFFFAOYSA-N 426.481 -0.028 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccnnc1O 1811226170 XZXSFLREHSADNL-LPHOPBHVSA-N 447.260 -0.110 50 20 IBGD O=C(/C=C/c1ccoc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832645591 OHNDURJNPYHPQM-ZDUIWUOISA-N 440.261 -0.257 50 20 IBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1 1833627619 CWPXSYZMTYNQKM-KBXCAEBGSA-N 431.848 -0.101 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1835934278 SGHNVNMSWMUIBG-VGSWGCGISA-N 428.294 -0.207 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1835934385 RGBCUWRSYDHZSU-YLJYHZDGSA-N 434.323 -0.668 50 20 IBGD COC(OC)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836788729 GGUHGPYPDPIVAX-UHFFFAOYSA-N 434.298 -0.403 50 20 IBGD O=C(Cc1ccncc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839058825 XKKYZQILWGWMMQ-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840065764 WWQAZXGQBKFMSH-HXUWFJFHSA-N 431.229 -0.783 50 20 IBGD Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182745 RVSNKVHRTRWWBR-HXUWFJFHSA-N 436.513 -0.979 50 20 IBGD Cn1c(=O)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)nc2ccccc21 1843013964 IWPHNPRRCHYAAV-UHFFFAOYSA-N 446.272 -0.256 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2)NC(=O)NCc1ccccc1 1845038716 LHMGEMOEFFGASE-KRWDZBQOSA-N 442.520 -0.185 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846340256 IJQLQKVZSJZCRV-ZWKOTPCHSA-N 426.278 -0.061 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 730102858 QNSRFKMHBQMDCS-UHFFFAOYSA-N 449.489 -0.028 50 20 IBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 732475185 XEMLDXMSMQEVKT-INIZCTEOSA-N 438.554 -0.339 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(Br)s1 749837327 CYZZIAQVLVYESK-UHFFFAOYSA-N 427.302 -0.539 50 20 IBGD O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1F 751267118 DBHXMTSXGQKCGE-JTQLQIEISA-N 438.455 -0.187 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(-c3ccccc3)on2)n(C)c1=O 756764082 DDERMFKEDKTWGW-UHFFFAOYSA-N 438.404 -0.058 50 20 IBGD COC(=O)c1ccccc1CCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 759610502 VEBCDNBKBDUOKX-UHFFFAOYSA-N 442.432 -1.000 50 20 IBGD COC(=O)c1ccc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc1 759729176 DXAPXNNJQJZLQZ-UHFFFAOYSA-N 433.446 -0.254 50 20 IBGD Cc1cc(C)n2nc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)nc2n1 794973377 HFZVSCAJHCHNIS-CQSZACIVSA-N 426.389 -0.115 50 20 IBGD C[C@@]1(NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCS(=O)(=O)C1 799671497 KFZPYPOMUBLIAJ-CQSZACIVSA-N 426.467 -0.376 50 20 IBGD O=C(NC[C@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1 804867902 NZHOROGQDPFGPS-ZDUSSCGKSA-N 428.375 -0.131 50 20 IBGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(F)(F)F 805769146 LKQXHXVQRFVMMT-MRVPVSSYSA-N 435.425 -0.336 50 20 IBGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 921247891 NCQYLPWMKLUFRY-UHFFFAOYSA-N 436.480 -0.047 50 20 IBGD Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c2c1CCC2 1777959570 FPBPQBMKFJMRGD-QFIPXVFZSA-N 438.293 -0.654 50 20 IBGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1779029885 AZNAMOFBZSTNMB-NRFANRHFSA-N 440.460 -0.154 50 20 IBGD CCN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779035694 LFIVQZZGPPAZDC-JOCHJYFZSA-N 444.536 -0.140 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1783935583 VYXCRNHMCFZAOF-HOIFWPIMSA-N 449.552 -0.410 50 20 IBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1784950853 RUUMIJUQUFSONH-SRVKXCTJSA-N 431.287 -0.697 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785265718 TYFQZBZUFUFCNJ-JOCHJYFZSA-N 442.252 -0.245 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3O)C[C@@H]21)c1ccc(B(O)O)cc1 1786983646 ONQDNERFKRZKMQ-CUWPLCDZSA-N 438.289 -0.092 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984926 ZKMWKIABINJWTN-XIVBQZFQSA-N 431.298 -0.239 50 20 IBGD CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nn1 1791290981 ULTMMSHZAQDISU-ZOBUZTSGSA-N 448.524 -0.158 50 20 IBGD C[C@@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)n[nH]c21 1796970452 IEEGRERMMRYNGV-NFWAQSGPSA-N 438.293 -0.344 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cnnn1 1807367297 KBXJELSEJJJBSP-DKSSEZFCSA-N 449.280 -0.671 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826935533 BRMUSKMSERJSAB-OALUTQOASA-N 444.341 -0.808 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829913773 ABWFXGHEGJGUTC-WIYYLYMNSA-N 432.282 -0.995 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1833105139 UMPFNYMVRBFUMK-YHCZKZFASA-N 445.520 -0.076 50 20 IBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(F)c1 1833627623 CWPXSYZMTYNQKM-KSSFIOAISA-N 431.848 -0.101 50 20 IBGD CC[C@H](NC)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801074 NFWMHUXACIPFLF-FQEVSTJZSA-N 430.358 -0.450 50 20 IBGD CC[C@@H](NC)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801076 NFWMHUXACIPFLF-HXUWFJFHSA-N 430.358 -0.450 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837402669 KBLDCNZGZWJIME-KKSFZXQISA-N 440.541 -0.611 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840156354 REYNTFWPBNDUGD-DOPJRALCSA-N 436.889 -0.688 50 20 IBGD COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc1 1840184553 UYPQWTDZKFRYMA-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409921 LEGZYRWIXMXVDY-RDTXWAMCSA-N 428.873 -0.434 50 20 IBGD Cn1c(=O)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)nc2ccccc21 1843743654 NKRDRGXRORWOCV-UHFFFAOYSA-N 446.272 -0.256 50 20 IBGD Cc1c(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cnc2c1c(=O)n(C)c(=O)n2C 749182846 HEIAGTJVWSAHIU-UHFFFAOYSA-N 449.427 -0.093 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 758056168 SBKCIQINHKZRRH-CQSZACIVSA-N 425.511 -0.800 50 20 IBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1ccc(Br)cc1Cl)S(N)(=O)=O 764058601 SDOJWEKHGLYHTN-ZCFIWIBFSA-N 441.691 -0.343 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(I)c1 765698800 RHWBRFCMGFFRGK-NSHDSACASA-N 449.201 -0.199 50 20 IBGD CN(C)N(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 766248036 JMSNOMKUFYPKTB-CYBMUJFWSA-N 428.536 -0.002 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c[nH]ccc2=NC(=O)C(C)(C)C)n(C)c1=O 783855764 NGGAJQUERLKMJD-UHFFFAOYSA-N 440.464 -0.615 50 20 IBGD C[C@H](C(=O)NNC(=O)CNC(=O)OCc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 794061504 HRWBTWWLKDYJPS-TXNBRISYSA-N 444.444 -0.389 50 20 IBGD CN1CCN(C(=O)NNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 807381217 JEHZRULZDMKGHW-AWEZNQCLSA-N 426.518 -0.120 50 20 IBGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 813367723 JLJHVECYPXZDTG-INIZCTEOSA-N 425.453 -0.080 50 20 IBGD COC[C@@]1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 813420772 MWGJUFMFQJZXBU-YVEFUNNKSA-N 434.515 -0.223 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919884674 IWCGUWXBUJOFTF-CYBMUJFWSA-N 432.524 -0.152 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1779296562 WXGOXYLPPACYGG-GOSISDBHSA-N 434.529 -0.287 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1783935396 PTHWRKCVNUDJOD-HXUWFJFHSA-N 433.465 -0.373 50 20 IBGD CSCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783971537 PTPFMTHOCDHBBL-HNAYVOBHSA-N 437.522 -0.757 50 20 IBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21)C(=O)C(=O)O 1790635056 ATCGIQKXSPUECI-IHRRRGAJSA-N 429.546 -0.639 50 20 IBGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732463 IAKHCMXHUAZECZ-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD CCc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795734609 UQQVZKITVGCXRE-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD O=C(COC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191495 QZXOMWJAQYIONB-BTTYYORXSA-N 428.172 -0.276 50 20 IBGD CN1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797753004 QDUPKAKFUUWDBE-ZXFNITATSA-N 430.509 -0.770 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802088980 FWFPPESDSHMFRH-SCAQPMJSSA-N 432.282 -0.841 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830537584 KWKQVEXXOWFGLL-IUODEOHRSA-N 441.344 -0.482 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831024015 NRJCBQMUWWMMQE-WBMJQRKESA-N 434.287 -0.322 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1)[C@H](O)CCl 1833307954 FCWSKODQNZFQHI-MRXNPFEDSA-N 442.904 -0.037 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)s1 1833800599 WAFFCWWOCQWRCV-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837808246 JARGRNCHQGJKIO-FQEVSTJZSA-N 436.513 -0.530 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839151873 GOBQMOPINKBNPM-DQYPLSBCSA-N 439.340 -0.728 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839700858 FXDIMAVPYHEXPT-SCLBCKFNSA-N 433.889 -0.607 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840156832 VLDCGSCDKGUUTL-KUHUBIRLSA-N 427.885 -0.082 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)CN(C)C)CC2=O)cc1 727761572 PNLHBYROXUYXGV-CQSZACIVSA-N 439.538 -0.221 50 20 IBGD CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748458597 YMNSLRYHXNWWHO-UHFFFAOYSA-N 425.511 -0.033 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)cc1 750368951 QKVRHIPYJJPIQD-UHFFFAOYSA-N 449.423 -0.193 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1=O 764166266 AIBNGVLOWGZHHQ-HNNXBMFYSA-N 428.401 -0.499 50 20 IBGD COC(=O)C(=O)NNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1322756106 KQIRZWMIVCKHBV-SNVBAGLBSA-N 441.407 -0.027 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781228197 ZCTNVZQKCLKNER-JKSUJKDBSA-N 444.279 -0.508 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783533478 XJXHEYJHSRIDCK-GWCFXTLKSA-N 428.220 -0.676 50 20 IBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1789870530 LWQUDMNUZPERMN-YUYGLALOSA-N 438.352 -0.147 50 20 IBGD N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1cccnc1 1795737347 BAGGAOPDCUJQRE-NZGUISNBSA-N 438.293 -0.945 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957012 XGBUCGZMPJVQAR-DFGXFYAUSA-N 444.557 -0.078 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H](F)Br 1799346099 BOHOVFXFGNBROO-ZMJPVWNMSA-N 429.051 -0.740 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1800979032 OOMDDALQIMCDJF-AYRXBEOTSA-N 437.884 -0.212 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370767 KUUZSRBYDIZFCL-LPHOPBHVSA-N 445.306 -0.874 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813068202 JRNICRUUVHGOOQ-IIMJZQEZSA-N 432.525 -0.028 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360506 HVWZDLZLTSSFEX-RISCZKNCSA-N 442.306 -0.261 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598742 HYDPLCUEXONOAP-CYBMUJFWSA-N 448.484 -0.673 50 20 IBGD NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828550802 BKCYMHOAUKYOON-OXQOHEQNSA-N 438.912 -0.003 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831014806 VWVCFRWWKQHQEZ-INIZCTEOSA-N 434.287 -0.320 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840033005 QIPGVUYGOACTSV-QFYYESIMSA-N 445.270 -0.259 50 20 IBGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc2c(c1)OCO2 731496703 SNXDVNHYGSISHA-UHFFFAOYSA-N 428.386 -0.099 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O)c1 731761647 WUZDPUYBKDBDDS-UHFFFAOYSA-N 435.528 -0.791 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 749185957 IDWHVWXPDWLNHS-UHFFFAOYSA-N 426.433 -0.178 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 756078733 DCQAQLUPYLCWFG-UHFFFAOYSA-N 449.537 -0.942 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccn(CC(F)(F)F)n2)n(C)c1=O 757747825 MOEAAAQEGONCNB-UHFFFAOYSA-N 443.346 -0.955 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 758033897 AFSCSKUHCXMZKF-OLZOCXBDSA-N 446.551 -0.052 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 758036996 XISVWEWYSRAXJB-NEPJUHHUSA-N 446.913 -0.348 50 20 IBGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c2ccccc2O1 764435394 UVGSPFWFVJXNLQ-SJORKVTESA-N 448.476 -0.352 50 20 IBGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 769770128 YVSFSHFQAOGMSB-UHFFFAOYSA-N 431.565 -0.721 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc3ncsc3c2)n(C)c1=O 775284045 GOKDHHXMLWTENC-UHFFFAOYSA-N 449.474 -0.947 50 20 IBGD C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 779506746 CPYCLFDOPNPVKP-JTQLQIEISA-N 429.441 -0.546 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)cc1 801106275 SMAVAHCCMBDEJT-UHFFFAOYSA-N 448.447 -0.041 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1 807581116 PFVDRUWREMVVRZ-CQSZACIVSA-N 446.551 -0.229 50 20 IBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1)[C@@H]1C[C@H]1C 815569359 QBXBAGLZWKUMAI-JRPNMDOOSA-N 439.494 -0.529 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 816880061 BPWPRCWKQUITSU-HUUCEWRRSA-N 448.505 -0.241 50 20 IBGD NC(=O)COc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 913395891 UXSWYYBDERQPMO-MRXNPFEDSA-N 429.385 -0.305 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919885581 MFJHOOMAFSGXNS-ZFWWWQNUSA-N 444.535 -0.334 50 20 IBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 920212572 QECJIVRDRHMXBK-CYBMUJFWSA-N 432.524 -0.511 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1779032507 QZQXLJHIEULBIC-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779250751 DDFJEABTEACWOP-YCRPNKLZSA-N 431.298 -0.885 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782705287 SVDXJOOCASVLPJ-JLTOFOAXSA-N 434.254 -0.629 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783876092 RRXCSMSJAAQKDK-PXAZEXFGSA-N 446.913 -0.465 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccccc13)C2)c1ccc(B(O)O)cc1 1795734570 SZQXZWUHPDZPRU-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2)c1ccc(B(O)O)cc1 1795736769 JHHSOBTUKZUJGE-MFCZKXCZSA-N 438.293 -0.902 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)cn1 1795795664 WZNXCWARNSSVGJ-DBWKPXFBSA-N 442.451 -0.335 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ncccc12 1796220628 SQPLMSGRKMTMEF-FVCICTRLSA-N 429.481 -0.466 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800757784 VARDSMYUWUKYPN-RXGFPQBGSA-N 440.360 -0.313 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803664140 JPYROOFHMQDDDD-WIBUTAKZSA-N 438.293 -0.408 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978655 IEJYABGUMPBXLM-KRWDZBQOSA-N 447.297 -0.724 50 20 IBGD O=C1CC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CN1 1815347636 HVQJRKCGQMHPSL-OCCSQVGLSA-N 442.306 -0.425 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cccc(=O)n1O 1833961284 RLXNBHFQMSMIDU-INIZCTEOSA-N 426.901 -0.130 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1835927507 QYSVENMICUEQAS-CBNMVNINSA-N 432.257 -0.671 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277194 FXAMASLDSDITKQ-BZNIZROVSA-N 445.318 -0.441 50 20 IBGD O=C(Cn1ccnc1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837532850 UUCAGFMLZVINMR-UHFFFAOYSA-N 440.309 -0.125 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838394751 SWYXMLSQFQPGAA-CQSZACIVSA-N 446.508 -0.568 50 20 IBGD O=C(CCn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203862 YUTHGVOXJRRTJM-ZFWWWQNUSA-N 434.266 -0.185 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)Cn3ccc4ccccc43)cnc21 729667199 IHJWPGMAPPMROT-UHFFFAOYSA-N 428.430 -0.002 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1=O 748552697 JKPRFNVBGPOFGU-UHFFFAOYSA-N 440.416 -0.285 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCCC[C@@H]2CNS(C)(=O)=O)cc1OC 756486356 AGQPRMAALSCGDM-CQSZACIVSA-N 428.511 -0.132 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)n(C)c1 778531740 IEQGVNDJJJIBKX-UHFFFAOYSA-N 442.523 -0.357 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NCc2ccco2)c1 788022651 DDFYYDKSTPOJQN-ZDUSSCGKSA-N 441.487 -0.046 50 20 IBGD Cc1nc2ncnn2c(C)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 801437728 LCPDWXABFDKAML-AWEZNQCLSA-N 426.389 -0.115 50 20 IBGD COCCNC(=O)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1317779596 ULYBOBJDUCOXNJ-UHFFFAOYSA-N 440.526 -0.191 50 20 IBGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783580339 PESGTVKXUJLIPQ-MGHWNKPDSA-N 446.508 -0.807 50 20 IBGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cnn1C 1786984483 LUGMHHSLBVDAAL-SNRMKQJTSA-N 426.282 -0.685 50 20 IBGD CCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610505 CJSMMEYSSBUPHD-OWQGQXMQSA-N 441.492 -0.191 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788775907 WDVIYOWXTSILRP-PEDHHIEDSA-N 438.294 -0.192 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791558621 AIZCXWAQNTVBDD-IHRRRGAJSA-N 439.542 -0.751 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792867533 DPYDFFYTIXBXGA-OEYIWLLWSA-N 439.115 -0.399 50 20 IBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1793445333 CVGRQFMNHHDDDO-IVSAIRAKSA-N 435.974 -0.286 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443612 NTWJQCKDXHJHPN-TXTZDMIGSA-N 433.465 -0.447 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369236 CORYJINBLXFJEW-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD O=C(CN1CCOC1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977526 IRIIOYIJNWIATF-UHFFFAOYSA-N 429.282 -0.337 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1810301659 BJPJQEVQNXVCBK-BEFAXECRSA-N 449.475 -0.309 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1813072133 ANUPXRGCMZCELS-QRWLVFNGSA-N 441.492 -0.143 50 20 IBGD N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728923 ZASXOYLSMKQJMI-GRDNDAEWSA-N 432.930 -0.931 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837694494 LQMKTQWVYDIJEK-GUYCJALGSA-N 432.315 -0.082 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717872 PXGKBVRTGSKXRE-RBUKOAKNSA-N 446.573 -0.090 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840149218 IOACUFDYLFYMBH-YJBOKZPZSA-N 435.974 -0.255 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840152542 LNPYNZSSBIWZIC-UGSOOPFHSA-N 438.872 -0.552 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841826575 LPUBSRXRIWTRQY-UHFFFAOYSA-N 432.135 -0.461 50 20 IBGD Cn1c(=O)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)nc2ccccc21 1843011304 QMHHNFWJGOFRAS-UHFFFAOYSA-N 446.272 -0.256 50 20 IBGD CN(CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1=NS(=O)(=O)c2ccccc21 23787609 JHVGRLBMWNQHEX-UHFFFAOYSA-N 440.445 -0.496 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 725740319 SYLXMINCYBAEBA-UHFFFAOYSA-N 427.442 -0.103 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1=O 731955804 DOTJTXMHPVYVOP-UHFFFAOYSA-N 435.462 -0.641 50 20 IBGD Cc1c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnn1C 741513663 ASJSUMLURJZHRR-UHFFFAOYSA-N 436.494 -0.462 50 20 IBGD Cc1nc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2o1 755626019 VAKCNRFYPRYNPP-UHFFFAOYSA-N 426.393 -0.264 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 763824881 NHTPZUNVTLVQOW-UHFFFAOYSA-N 447.473 -0.707 50 20 IBGD CSc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765125260 NFNPSJBABDTCQI-UHFFFAOYSA-N 438.491 -0.835 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(-c3ccc(F)cc3)[nH]n1)c(=O)n2C 765618366 YUMLJBXKGCARJO-UHFFFAOYSA-N 440.395 -0.576 50 20 IBGD COCCOCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636133 KBIABRXEDZCWHL-UHFFFAOYSA-N 428.511 -0.888 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786366759 KGAFWCITPSXNQF-PBGAUENZSA-N 443.456 -0.219 50 20 IBGD O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)[C@H]1CCS(=O)(=O)C1 913181227 KJYMSJVWNOGHDB-FPMFFAJLSA-N 429.495 -0.450 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n(C)c1=O 920370545 JIMJGQWCNWLDLV-UHFFFAOYSA-N 436.406 -0.599 50 20 IBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1321718962 YOXIHJZBIWLESL-UHFFFAOYSA-N 443.508 -0.132 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCOC1 1783213531 IGQFDEBGZRFRDX-SFGWALBWSA-N 430.310 -0.080 50 20 IBGD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)no1 1785273252 QOXWYJUSECMHKM-RCBQFDQVSA-N 443.464 -0.787 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785493727 YMBUMEIMXACJAJ-WBAXXEDZSA-N 440.460 -0.774 50 20 IBGD Cc1nnsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787630191 ASSQNWKWJQEZSS-BPUTZDHNSA-N 430.295 -0.567 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788470909 BCQHDZWNSBKWFR-CCJOIDDDSA-N 440.266 -0.279 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788654453 GBLFEGLFVGHGGW-GGOFEBJYSA-N 434.331 -0.600 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1791254418 SWXJCLZGGXERAT-ICUGJSFKSA-N 430.977 -0.144 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792871241 RYAYDVKMQXBBEF-JSFFLRCESA-N 434.331 -0.242 50 20 IBGD Cc1cccc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737064 ZQNDIDBESTWFKO-NEGDOWEVSA-N 435.289 -0.014 50 20 IBGD Cc1noc(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737235 ILFYVZQIRZUTGC-UPHUGPLXSA-N 441.293 -0.193 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccc3n1)C2)c1cccc(B(O)O)c1 1795739029 RDIRPOQMNWVUDI-VPTLXERWSA-N 446.272 -0.173 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1796441329 ZIAAUTSAMZZGLU-UDQUNYCESA-N 428.453 -0.848 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800258703 CVCUUYJPBUFEJE-KQXIARHKSA-N 434.287 -0.850 50 20 IBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803478730 CPJFUMVDIHQWMF-KUHUBIRLSA-N 439.476 -0.464 50 20 IBGD CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814626935 XAQCLFVANYLCKY-VIFPVBQESA-N 431.478 -0.544 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724060 CNIDRVYARFGKJA-CXAGYDPISA-N 432.836 -0.548 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccncn1 1835145498 PYBTUFWSTMSWER-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(CC1CCOCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835418574 QTVLCEXJHHAJCF-JOCHJYFZSA-N 446.309 -0.747 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1837456806 QFKXOYHBDHMLSA-HXUWFJFHSA-N 447.517 -0.224 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839152424 YXDKOIPQMPSUAD-VUCTXSBTSA-N 439.340 -0.728 50 20 IBGD C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839842957 LVHJLGVPWMKDSF-QVKFZJNVSA-N 431.493 -0.033 50 20 IBGD Cc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183769 YUPQTYNZGPIOPP-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1840812826 NGBAESIAGRRASO-OAQYLSRUSA-N 427.266 -0.870 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 15639678 OEHUOPNGJYJCNH-OAHLLOKOSA-N 443.547 -0.022 50 20 IBGD CS(=O)(=O)NCCNC(=S)NNC(=O)COc1ccc(Br)cc1 727065625 BFTGBJMFAVQNDH-UHFFFAOYSA-N 425.330 -0.128 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730672202 CFYPADHXPLGUKY-UHFFFAOYSA-N 432.524 -0.217 50 20 IBGD Cn1c(N)c(C=NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(C)c1=O 749810619 WFCZIXANIFVTPS-UHFFFAOYSA-N 442.457 -0.522 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 764229918 DZOIKRJORQCNRC-LBPRGKRZSA-N 448.505 -0.090 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)ncc2Cl)n(C)c1=O 780926586 MJJVCRQMWQQDKT-UHFFFAOYSA-N 426.220 -0.403 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 812731810 VPOZSRAJJBVRLX-UHFFFAOYSA-N 432.462 -0.361 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 814723449 GBSDTVPJHKDEPK-CQSZACIVSA-N 431.536 -0.022 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)NC1CC1 919808219 SWRLHBRXPTVYEY-LLVKDONJSA-N 439.450 -0.579 50 20 IBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 919889745 SJOFNOCWFMINRJ-ACJLOTCBSA-N 437.478 -0.720 50 20 IBGD Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1116288966 KLOZEHOJZVGGHG-CYBMUJFWSA-N 428.474 -0.393 50 20 IBGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc2c1CCN(C)C2 1328386581 PZGIWHHOBRNXNN-AWEZNQCLSA-N 447.521 -0.305 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779104325 ITHSJVFJTDPUBJ-CRESJJQNSA-N 445.281 -0.661 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860729 KYZGINAHDLSHBF-VEVIJQCQSA-N 435.905 -0.087 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1783969398 LTFRGUXJUUMASC-SJHCENCUSA-N 445.314 -0.405 50 20 IBGD CN1CCCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978595 BJUNTEMCFQJKTL-LEAZDLGRSA-N 429.326 -0.556 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980206 VPOJLZOJWRJPIB-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1787508621 CZIPGQSSCKGQCE-DZYDDEDGSA-N 442.480 -0.458 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609692 AXJVIUOGEJSTJL-GLFJAGTFSA-N 431.493 -0.106 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1788611651 OIPHGCLKODWRRR-WBAXXEDZSA-N 440.460 -0.774 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793312891 TVMJMSKLMMQXAA-FMSGJZPZSA-N 440.360 -0.311 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]ccc3n1)C2)c1ccc(B(O)O)cc1 1795734213 JAYYHIUHCVRGEQ-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD O=C1Cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c2N1 1795735756 DEDYWRBQBJGXRB-CWPLJXCYSA-N 449.272 -0.622 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1802332793 HODQJNKOVXIPNV-MUJYYYPQSA-N 443.570 -0.577 50 20 IBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cnnn1 1815361516 IISWABJSPULHBE-GWCFXTLKSA-N 441.282 -0.704 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833765171 RYCCDGURLXWIML-CABCVRRESA-N 443.932 -0.590 50 20 IBGD CC(C)(O)CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797931 NKRLIYMBUNIDHV-UHFFFAOYSA-N 431.342 -0.287 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840013109 WMBFKPUQRVZTEH-NYYYDFRBSA-N 447.492 -0.244 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188442 KADSWXWTJLKTLI-OAHLLOKOSA-N 427.354 -0.270 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840249690 SKQNASZNZYEVNS-KKXDTOCCSA-N 434.896 -0.260 50 20 IBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 23630172 QNSBJYFHGBJYRL-UHFFFAOYSA-N 432.572 -0.654 50 20 IBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 731687031 VNMDDMKBNLKWOG-MRXNPFEDSA-N 426.495 -0.334 50 20 IBGD CS(=O)(=O)c1cc(N)cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 747727282 KARXUPIIDIMGSE-MRXNPFEDSA-N 449.441 -0.184 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)o1 751297065 BJHYKCUCLYGWII-UHFFFAOYSA-N 429.480 -0.136 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1Br 759431661 QCTQUELAYYANEO-UHFFFAOYSA-N 449.327 -0.204 50 20 IBGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)n[nH]1 764108473 IKINLLQFUXGMKJ-MRXNPFEDSA-N 442.432 -0.868 50 20 IBGD COc1cc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 764812073 FZBZOCAXZXBGFN-UHFFFAOYSA-N 444.448 0.000 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccnnc1)c(=O)n2Cc1ccccc1 770403080 XLBOFFUNBXPJTR-UHFFFAOYSA-N 448.443 -0.321 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)c1 772705329 ASUKQUISOZXWSG-QGZVFWFLSA-N 425.467 -0.534 50 20 IBGD CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@H]1OC 776522825 HBIGYZWVPDOBOM-BFYDXBDKSA-N 442.542 -0.164 50 20 IBGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(F)(F)F 805769212 MIZSENPYRMMPFU-RYUDHWBXSA-N 440.400 -0.021 50 20 IBGD COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 913155422 JQJOVHKPWGZKOO-GFCCVEGCSA-N 445.461 -0.201 50 20 IBGD COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028735 OMVJXPUWOPEVAN-FQEVSTJZSA-N 441.448 -0.759 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1779034090 LZWXTYGKLHEADA-OAQYLSRUSA-N 439.476 -0.449 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1783874626 GEJBRXDLPANTAH-WMLDXEAASA-N 437.946 -0.504 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1783877711 NPOFWEAHYRIKTJ-NJSLBKSFSA-N 439.900 -0.321 50 20 IBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784953682 WILVYSMNDWFWLS-AVWBDOJWSA-N 435.250 -0.792 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1cccc(B(O)O)c1 1786984834 OSVWEZFRLQYSPP-CYUUQNCZSA-N 443.078 -0.350 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(C(F)F)no1 1795913058 JUXWYZWNIMYZEX-DRXBFXEBSA-N 435.192 -0.191 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1800643506 UCWNSYFIHCHQMZ-NOHGZBONSA-N 434.287 -0.708 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978768 PODYRXVGDAVHOM-LJQANCHMSA-N 445.325 -0.638 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820140689 MNENBRDKLDUCCA-SMDDNHRTSA-N 442.306 -0.261 50 20 IBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)C(=O)O 1830365752 HDWFOWGXNXAXCU-GOSISDBHSA-N 433.889 -0.749 50 20 IBGD COC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834433229 MWNVBPNZNNBEKE-UHFFFAOYSA-N 445.325 -0.495 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834471343 WINHCIWGWVUDTB-GOSISDBHSA-N 425.511 -0.414 50 20 IBGD O=C(Cn1cnnn1)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834876734 KDDRFUZXBJYTSB-AWEZNQCLSA-N 432.298 -0.065 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357157 IGNNUIYYHWLTBN-KMUCBOENSA-N 430.465 -0.119 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)ccn1 1835938558 YFYAQYDUWACDCR-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837713112 HTKDXPNHHPPPIB-FQEVSTJZSA-N 442.633 -0.458 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837842115 WDGPILBWOOBERI-HOTGVXAUSA-N 432.949 -0.168 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839200087 DEEIQTBCYLIEIE-SWLSCSKDSA-N 449.281 -0.534 50 20 IBGD O=C1CN(c2ccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2Cl)CCN1 755938694 XMIDHECOBIJWSU-SNVBAGLBSA-N 429.886 -0.136 50 20 IBGD CCC(=O)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 757736166 BFWQPPOGJPIHPK-UHFFFAOYSA-N 427.421 -0.121 50 20 IBGD CN1CCc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc21 757917948 VGFRDOQNTRLHPH-UHFFFAOYSA-N 426.437 -0.721 50 20 IBGD Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758046255 GOSDPKHPFFMPMQ-JTQLQIEISA-N 442.523 -0.472 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(S(N)(=O)=O)nc3)CC2)cc1 762744367 LKZGMNIYMPTFKO-UHFFFAOYSA-N 446.533 -0.384 50 20 IBGD COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)C(C)C 763831795 KHVDFPKLZJIZAY-UHFFFAOYSA-N 441.510 -0.627 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 764230751 KUGBFAOYHYNYHZ-GFCCVEGCSA-N 446.489 -0.375 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OCC3CC3)cc2)n(C)c1=O 765727664 MCHQYRJPTIYFSA-UHFFFAOYSA-N 426.433 -0.316 50 20 IBGD COC(=O)c1cn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)nn1 766659618 DAOKWJSWFMHJBP-UHFFFAOYSA-N 449.899 -0.317 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 771846830 SSPKWNSSARCTGU-XEZPLFJOSA-N 429.495 -0.180 50 20 IBGD NC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797368758 GVUCWMKZMOWHEA-UHFFFAOYSA-N 427.417 -0.273 50 20 IBGD CN(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373513 XPVXUBLBHKZBCL-DYESRHJHSA-N 432.525 -0.236 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1[nH]nc2ncccc12 1787343528 PFQDTSIGJCFFLM-WBAXXEDZSA-N 449.276 -0.455 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(Cl)nn1 1788835913 JVOZQTKVFAOQFG-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD CN1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1789740986 GDUIGSVNFRXEQW-UMGGQSCQSA-N 429.326 -0.699 50 20 IBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1789866453 PPWGIDMWOIREAL-ASHKBJFXSA-N 446.268 -0.073 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791391874 GQNPSQHWFXQSMB-XUXIUFHCSA-N 442.310 -0.078 50 20 IBGD Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795737346 UCJOBWLTJHFWEU-CCWDJLKJSA-N 444.322 -0.638 50 20 IBGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)cnn2c1 1797418847 XYRASKUIGPZKNV-HGKCTWBKSA-N 449.276 -0.765 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800756090 FWBRJTDZCZCENT-IKVITTDRSA-N 425.088 -0.647 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806853714 XUVVWTAYXPHHLA-AWEZNQCLSA-N 436.513 -0.811 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807364280 POMVQHMJUQUXGR-QFBILLFUSA-N 434.265 -0.179 50 20 IBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812389379 ZPMKSYYQPAUKAS-KCQAQPDRSA-N 426.857 -0.770 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840149878 CHFOZPZSXFZYNJ-SCLBCKFNSA-N 430.889 -0.248 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 729274785 CVGQGIQHGFJZPJ-NSHDSACASA-N 438.503 -0.689 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729275527 PDSFMRCAJYAYOX-OCCSQVGLSA-N 432.524 -0.767 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCS(=O)(=O)NC(C)C)cc1 746973936 WZSHTKDHNHIASU-UHFFFAOYSA-N 449.555 -0.726 50 20 IBGD CCCn1nc(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc2c1=O 748530814 SSDWXJXCXUACMZ-UHFFFAOYSA-N 433.450 -0.888 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 763809897 UGSJLVWECAQTBQ-UHFFFAOYSA-N 426.433 -0.509 50 20 IBGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 766645021 YJLYLBQIHCCANH-UHFFFAOYSA-N 444.536 -0.015 50 20 IBGD Cc1noc(-c2ccccc2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 766646156 XBADTTPKVIULCK-UHFFFAOYSA-N 438.404 -0.747 50 20 IBGD CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 776063363 SFKFRWVVIJSKKW-SNVBAGLBSA-N 433.512 -0.254 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 785662438 XXVSBLVVOLPYPQ-KRWDZBQOSA-N 432.477 -0.520 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783342433 LQYYZQKVXHTVKN-YJBOKZPZSA-N 439.115 -0.017 50 20 IBGD O=C(C[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784958651 FDMKVTCHDWZYRN-LEAZDLGRSA-N 430.310 -0.081 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2)[C@H](O)CCl 1792975221 MNHZASAWOUSYCW-ARULTKQDSA-N 427.929 -0.033 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737062 ZLYAPRPLZUOTSS-UEILYKACSA-N 426.282 -0.664 50 20 IBGD Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)nc2ccccc21 1796995336 TUZPGIZESHGTNL-VZAMPYOESA-N 434.880 -0.264 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800580538 VPQCOYYFCNQDLA-YXPYIKCWSA-N 426.341 -0.901 50 20 IBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)c(=O)nc1O 1814035413 MGWLBRJDPVPMHY-ZOBUZTSGSA-N 449.895 -0.042 50 20 IBGD O=C(c1cnc2snnc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731764 MMQGESDIMPLPLA-DYVFJYSZSA-N 441.897 -0.244 50 20 IBGD C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831407342 VJNHLAYHFPWBKS-JOCHJYFZSA-N 446.309 -0.581 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1837715873 OXEYZCJSPGUDER-QAPCUYQASA-N 448.614 -0.129 50 20 IBGD O=C(c1cc(O)nc(O)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199531 PKKAOKLWWBYLHJ-XHDPSFHLSA-N 449.233 -0.352 50 20 IBGD O=C(O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202406 FACNSVARPHNYKI-GXTWGEPZSA-N 443.291 -0.049 50 20 IBGD CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840566315 HDKZBKHXZJFUCT-NRFANRHFSA-N 448.524 -0.905 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 743291247 OSIJEBHQDWOYJQ-SGMGOOAPSA-N 444.558 -0.650 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C(=O)NC(C)C 744447041 SLUPJLXHHMSNAW-LBPRGKRZSA-N 434.515 -0.102 50 20 IBGD C[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746096192 CHAKJGCPFCGLJR-WMESBKTJSA-N 439.428 -0.755 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 763649054 HUYFZIRGDUUFEE-UHFFFAOYSA-N 444.492 -0.003 50 20 IBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763731652 BIRGIMSVTSIRIH-UHFFFAOYSA-N 436.494 -0.302 50 20 IBGD CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766637391 SKJZUIBZAFQZKM-LBPRGKRZSA-N 442.432 -0.749 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783428590 XJZWHFKUIMPYLS-KRWDZBQOSA-N 446.551 -0.148 50 20 IBGD CN1CCN(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 811420688 GVQDHUWAGVCULR-UHFFFAOYSA-N 440.345 -0.223 50 20 IBGD COc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028436 LQXVKNSWPCXDIQ-NRFANRHFSA-N 440.460 -0.154 50 20 IBGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028736 KGNLIUXNWMGENC-LAUBAEHRSA-N 430.509 -0.387 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781759400 QTSAOEYCYRJYSW-JOCHJYFZSA-N 437.261 -0.777 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1787509198 ZTJMFDLQCAAVBT-GLYSVQQSSA-N 442.480 -0.608 50 20 IBGD O=C(Cc1cccnc1Cl)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793951944 KIJKQRDQIFWTNB-HGKCTWBKSA-N 443.696 -0.139 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(B(O)O)c1 1794277142 YAODRJAJUQQWIF-MUJYYYPQSA-N 427.226 -0.577 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc(C)n1)C2 1796439616 RIJINCIBPQNUTL-GWGBFROSSA-N 441.492 -0.085 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C1=NN(c2ccccc2)C(=O)C1 1796479113 GGXWOTCZWZEUCM-ZDFLXESQSA-N 434.880 -0.031 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797583716 JXAISCLZFDXSGD-DIACKHNESA-N 436.303 -0.329 50 20 IBGD COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798576788 MHPWEESFARPYAR-RMFSNUHRSA-N 449.272 -0.236 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccn2nccc12 1799972523 PPNYKOWIYNOIJW-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052703 YBWCFWLVBUZIQJ-UFYCRDLUSA-N 429.326 -0.678 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1831658597 XXELDWWOEXGRQV-KUHUBIRLSA-N 427.885 -0.225 50 20 IBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808596 QCGYPJQBUVNEID-ZDUSSCGKSA-N 430.852 -0.013 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1 742033133 IFHSOAOVVFRNDI-LBPRGKRZSA-N 434.478 -0.198 50 20 IBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 742479124 VBYCBGQXRLHMOQ-GBOPCIDUSA-N 449.489 -0.707 50 20 IBGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 743253327 BGMRBUHDQZRWAJ-LLVKDONJSA-N 429.480 -0.440 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)N1CCOCC1)n2C 745993042 UWBRAJCXPWWOFI-UHFFFAOYSA-N 438.510 -0.171 50 20 IBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C 757823940 VBWJEPHDUIARQO-UHFFFAOYSA-N 437.482 -0.346 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C)C(=O)c1ccc(Br)o1 758048785 WGOCVFUEIOXNRW-SSDOTTSWSA-N 425.261 -0.801 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)CNC(=O)c1cccnc1 758357571 UZELZFXYMPVDKU-AWEZNQCLSA-N 448.480 -0.526 50 20 IBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 763628886 MZGIPTHUVWNZIH-UHFFFAOYSA-N 434.416 -0.073 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)CCCC(=O)N3)n(C)c1=O 766634272 FTKIKWVPFIUCNM-UHFFFAOYSA-N 439.432 -0.830 50 20 IBGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772885092 VFBPOZHOMFASJR-YGARTUKASA-N 448.863 -0.346 50 20 IBGD CCn1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775462200 WBGJKIDZAFSPGQ-SWLSCSKDSA-N 430.465 -0.004 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)cn2C)cc1OC 792704371 LQGQYYCWLKSGFI-UHFFFAOYSA-N 440.434 -0.692 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCCCN2CCOCC2)CC1 795107762 DFGKHKUDRFSLPF-UHFFFAOYSA-N 440.570 -0.037 50 20 IBGD NC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 799529894 ZQVIASJMUJSJNA-UHFFFAOYSA-N 445.251 -0.120 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2cn(CC(=O)O)c3ccccc23)c(=O)n(C)c1=O 799873175 AYVGDWGMQCYSHW-UHFFFAOYSA-N 430.446 -0.239 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)C(=O)N1CCCC1 810274818 DPTXWLOPKHGCRA-UHFFFAOYSA-N 433.284 -0.503 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)n1 1318984356 DPSCDXAOWWFKFM-UHFFFAOYSA-N 442.542 -0.196 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)C1=O 1328654148 RRZIDJJRWVBIAC-UHFFFAOYSA-N 425.486 -0.528 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779095585 IXTINTAAHZXMRE-QRTARXTBSA-N 434.331 -0.360 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1784445533 LFWXGJNFYODXQE-HRAATJIYSA-N 426.282 -0.424 50 20 IBGD Cc1nccn1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983091 ITKJYDDNLJHQNG-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2)c1cccc(B(O)O)c1 1795736969 QGXXNQOMXVIGKJ-MIFYACCESA-N 430.657 -0.673 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740927 QHMDWSYVUXMZNG-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)F)C2 1797748572 JBAHYJWYCZJVJA-BZBKMWRSSA-N 433.362 -0.211 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822410448 KBSYMMMPRDTFTK-CYBMUJFWSA-N 448.484 -0.673 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1831464136 JUFCDCHUDZKSSN-JKIFEVAISA-N 440.946 -0.623 50 20 IBGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CCC1=O 1832371071 YSGQXJSIGYUUOP-KRWDZBQOSA-N 445.314 -0.164 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833967021 PMSWDINILVLPSN-FQEVSTJZSA-N 430.291 -0.188 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132204 OCZBJNXOSKNDBM-XJKSGUPXSA-N 430.303 -0.235 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253479 KBRRGELKZHYFGI-FDVMBTMHSA-N 429.901 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1837457495 FOBUNPAIKJXMFX-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1840184968 CXLZPYFPNRUWBB-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1844264512 ACMXATWJVPYHAG-UHFFFAOYSA-N 438.370 -0.047 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)C(=O)NC1CC1 9889253 CZACEZOMUXAPGC-UHFFFAOYSA-N 433.284 -0.457 50 20 IBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 749770031 UZSJPKZAWJIGRF-MRVPVSSYSA-N 425.872 -0.194 50 20 IBGD CC[C@@H](C)n1nc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 757910697 NKTOXTBUCXYAFB-SNVBAGLBSA-N 431.457 -0.237 50 20 IBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764152471 DRVFWZLVWAEPDN-INIZCTEOSA-N 432.458 -0.007 50 20 IBGD COC(=O)CCSCc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764426033 SCILNHHDOINTAI-CQSZACIVSA-N 425.463 -0.016 50 20 IBGD CN(NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776212758 KUPJNKYRRIPBGT-UHFFFAOYSA-N 445.502 -0.834 50 20 IBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)CNC(=O)c1cccnc1 792648443 ABMACQACQZZERN-KRWDZBQOSA-N 441.366 -0.410 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1ccc(Cl)cc1 808935362 UFZKBLMPQQGFSS-VIFPVBQESA-N 442.885 -0.142 50 20 IBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNc1nccc(N2CCOCC2)n1 810559806 GZEOZWWKLHIEIU-UHFFFAOYSA-N 432.466 -0.389 50 20 IBGD CC(C)COC(=O)N1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CC1 814785531 VQESRMBUWZOSGZ-UHFFFAOYSA-N 426.499 -0.068 50 20 IBGD C=CCNC(=S)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1115816266 QCJVRSMBIREOBN-CYBMUJFWSA-N 434.565 -0.551 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019352 OPERUTJUKLMBRM-HLQTZPMBSA-N 443.508 -0.400 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780031802 PFNOTIXKBQDHGF-NRFANRHFSA-N 439.233 -0.753 50 20 IBGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)c1 1780552169 GLHSOTIJBIXGMU-QFIPXVFZSA-N 440.261 -0.162 50 20 IBGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2nccn12 1782350913 LOCXVHAEQFCRSE-JOCHJYFZSA-N 449.276 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1783935587 VYXCRNHMCFZAOF-JKSBSHDWSA-N 449.552 -0.410 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnc1S 1792501020 WDSBQBBPOMNKRX-XOIINTDNSA-N 427.291 -0.433 50 20 IBGD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189803 CCQTXXCZGKRVSI-BCDXTJNWSA-N 438.293 -0.234 50 20 IBGD Cc1cc(C)n(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801012424 YFRASHCFETZHDF-UPHUGPLXSA-N 434.541 -0.147 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cccc(B(O)O)c1 1804333797 STLAQFOAOPPVFH-QDMKHBRRSA-N 447.347 -0.522 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnc(O)[nH]1 1810949271 WHYLWYVBAABELR-MAUKXSAKSA-N 435.249 -0.177 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657122 JIZCRLHBYSRQNJ-URZNZNTCSA-N 435.289 -0.027 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)ncn1)CC2)c1ccc(B(O)O)cc1 1815337349 RVMMMHVZAHXMSI-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1829744916 AUVSTWQKYHAAQL-OXQOHEQNSA-N 440.541 -0.633 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830543394 QZMUNVLZSZPFKM-PXAZEXFGSA-N 443.298 -0.129 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1ccccc1=O 1830730828 FNTUAPMKKGXSQT-ZRGWGRIASA-N 427.885 -0.535 50 20 IBGD Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834037895 YFCAOYTVKVGWQW-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cc3ccn(C)n3)CC2)CC1 1834847788 FIHVLTOYWFKRJU-UHFFFAOYSA-N 447.584 -0.093 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413603 HBIYROUDAIAFOI-GUYCJALGSA-N 432.315 -0.151 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682617 MXCNDMUTRNCZGO-HNAYVOBHSA-N 430.933 -0.022 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076462 PHKVRNPLGVGWEH-AYMQEEERSA-N 434.331 -0.803 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1839145503 JXNDFAOJENTFRL-FCEWJHQRSA-N 448.900 -0.045 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237927 KMFXDRKVXCWFLX-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840036901 SFGAPYWFWBOVBJ-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840152176 AKKBUNIEGUSHIP-BZNIZROVSA-N 431.833 -0.358 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1840187302 RRSGTOBSLCZASR-OXJNMPFZSA-N 442.582 -0.041 50 20 IBGD O=C(CCn1ccnn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840447984 PVLQGSIMTVAOQB-DZGCQCFKSA-N 434.266 -0.185 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)o1 1840506693 OYPNEODTHBJGAZ-QFIPXVFZSA-N 442.277 -0.419 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)CCO)cc2)n1 728733628 NXVIFALYTOKGNU-UHFFFAOYSA-N 441.487 -0.236 50 20 IBGD CC(C)(C)C(=O)NNC(=O)CN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 744384946 CPHTZYPDYWHLCJ-UHFFFAOYSA-N 432.481 -0.428 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCC(C(N)=O)CC2)cc1 747585380 ZTUOKXKFDFBCID-UHFFFAOYSA-N 425.511 -0.010 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1I 761137447 KUUOLWWENKSXIX-ZETCQYMHSA-N 439.231 -0.110 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 763624629 XNPXFHUIGHWSDN-UHFFFAOYSA-N 444.448 -0.785 50 20 IBGD CC(C)(C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 764309076 KVEGGWJLYBHIKR-UHFFFAOYSA-N 442.476 -0.194 50 20 IBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816878396 QVNIFYIHBLGQFQ-WFASDCNBSA-N 437.501 -0.347 50 20 IBGD CC(C)OC(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916219926 PQVBLXPUHPTHHZ-UHFFFAOYSA-N 442.494 -0.007 50 20 IBGD O=C(CCO)NNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1323987266 ZFRZWLVQBYJSJY-UHFFFAOYSA-N 427.465 -0.097 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779279498 BPOHBRKWZWJBJR-DIJUQXPGSA-N 444.492 -0.359 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784523836 IYBOFRVQSCXQSH-UGUYLWEFSA-N 446.570 -0.980 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784888516 OMUJKHJKFLAQPO-UBHSHLNASA-N 432.179 -0.140 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979614 DHFWVQHLVDITGR-DSLXNQLJSA-N 430.310 -0.467 50 20 IBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787265826 AWCPRNJADJNARF-GVXVVHGQSA-N 437.888 -0.329 50 20 IBGD Cc1cnoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610329 XNCKDOBKSLTPCM-RCBQFDQVSA-N 428.449 -0.111 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)cc1 1792778228 PAJTYCSIMRSFMQ-USGNIVHTSA-N 434.493 -0.266 50 20 IBGD Cn1ncc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)ccc21 1795739188 QLJFBSURFCXZSM-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccn3n1)C2 1797750777 PWAABXPNERROLU-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798687447 VNOZASHDVQAWGH-JGPRNRPPSA-N 428.409 -0.118 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1801011498 QJHSVMBTISPEBW-HBCWATKFSA-N 447.492 -0.571 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011654 UPOKUVSQIGPVCG-BKEDOTJMSA-N 425.530 -0.746 50 20 IBGD O=C(CNC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801034404 RLCVYQOCYYDFCF-MBLNEYKQSA-N 434.184 -0.055 50 20 IBGD C[C@H](CN)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1807015045 JSTGGNRVBUQGBH-QIIPPGSGSA-N 425.493 -0.006 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813137266 WHIPTOWLFYRMDF-CEQIKUNHSA-N 444.536 -0.013 50 20 IBGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cnnn1 1817479118 HDSXZLLFHNWOLH-MLGOLLRUSA-N 438.257 -0.357 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830365059 ALYLQNHREULCHG-IBGZPJMESA-N 426.901 -0.035 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920218 ROIXZVZHBNPOJM-HNNXBMFYSA-N 445.325 -0.497 50 20 IBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1838193860 ZOXJCFRWCPMDCN-HNAYVOBHSA-N 426.901 -0.183 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838789074 HASIXCNAGGDNQM-UHFFFAOYSA-N 426.518 -0.974 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840151977 SOHWPXDOAJXCCF-QFBILLFUSA-N 433.933 -0.581 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840261644 PNTLUSYKALUQRQ-AUUYWEPGSA-N 427.885 -0.225 50 20 IBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 728170614 IKEKNVVVOZUDMP-UHFFFAOYSA-N 446.429 -0.639 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 728369597 NQYXVQYNGNXHTF-HIFRSBDPSA-N 429.520 -0.270 50 20 IBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753947511 FPIXBESQXBLPPR-LSDHHAIUSA-N 442.542 -0.162 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 758048780 WDIWZDHSKHTOPU-JOYOIKCWSA-N 447.311 -0.113 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1cccc(Cl)c1 764231196 NKBBYIIGADKPTG-SNVBAGLBSA-N 442.885 -0.142 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(NS(C)(=O)=O)c1 764813476 ZMVAAIUBNLIKRU-UHFFFAOYSA-N 447.477 -0.654 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ncoc2-c2ccc(F)cc2)n(C)c1=O 771417260 YTUIFTSFRYWUGA-UHFFFAOYSA-N 441.379 -0.311 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 772135408 KVYFILXTYJDVNV-WDEREUQCSA-N 426.451 -0.824 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCCCS2(=O)=O)CC1 776147929 OAZQHYXTNZCOTK-AWEZNQCLSA-N 431.540 -0.572 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 778648520 CKINVMFBTGNNEX-UHFFFAOYSA-N 436.473 -0.421 50 20 IBGD CCn1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 784230888 TWWLOWYMOONXFS-UHFFFAOYSA-N 435.510 -0.079 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115516 FBIZKXFIXAKQJA-KPZWWZAWSA-N 426.470 -0.273 50 20 IBGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 792082404 CIYOZJHHHHWVNM-MEBBXXQBSA-N 426.451 -0.286 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 914602679 JMFZTQQNSYQRPT-UHFFFAOYSA-N 434.430 -0.223 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883935 GQTOLQRFKFMWDI-NSHDSACASA-N 447.491 -0.861 50 20 IBGD Cc1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779778953 KRKPBHIAWAEEGW-FQEVSTJZSA-N 425.449 -0.459 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785875629 SWTNYQAGJAYUAS-DZYDDEDGSA-N 442.480 -0.458 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1791291046 ISRRHKDQQOZBRS-XIRDDKMYSA-N 446.508 -0.627 50 20 IBGD O=C(Cc1cccc(Cl)n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794194658 BJDMOSLGASMUJP-YVWYUNDQSA-N 443.696 -0.139 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795869739 VBYPYWSBKDHTON-SNOXVSQISA-N 427.465 -0.393 50 20 IBGD CN1CCN(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)CC1 1795883491 XGFRSHREWWGQLL-ACDBMABISA-N 428.342 -0.744 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798383212 JMWXUOARLGXGFY-NNGSTNBRSA-N 441.448 -0.481 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2)[C@H](Br)Cc1ccccc1 1800433659 ZFROGHGOYFGASN-LXTVHRRPSA-N 427.295 -0.107 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(O)nn1 1805267525 JQRFHIYRPLULGH-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)n[nH]1 1807283851 JLDAQHBUTYYSQY-BEFAXECRSA-N 435.249 -0.177 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1809311202 JMKAOYIMGMAFFF-INIZCTEOSA-N 428.493 -0.192 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814226524 QUHOTFRBVNXBRR-GUYCJALGSA-N 440.464 -0.932 50 20 IBGD O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052701 YBWCFWLVBUZIQJ-SLFFLAALSA-N 429.326 -0.678 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829714156 ZPZVOCQITQGWPD-IBGZPJMESA-N 438.293 -0.003 50 20 IBGD O=C(c1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935015 BVUOVCYJPRPIMJ-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1cccc1C=O 1835951752 HFOCPCKQLAKEGG-SIXWZSSISA-N 427.885 -0.082 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838972051 LKAMRZQCVARDAL-OAQYLSRUSA-N 434.493 -0.165 50 20 IBGD CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199279 LPTHGNHHYHJFME-YPMHNXCESA-N 431.280 -0.822 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840575734 PNPZYUSCYTUJPY-FXAWDEMLSA-N 434.323 -0.668 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 732196291 CHXSTPLLIQJGSV-OWCLPIDISA-N 433.575 -0.460 50 20 IBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)CN3CCCc4ccccc43)[nH]c21 746232704 YOXHGGSYKOKMKI-UHFFFAOYSA-N 425.449 -0.105 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 754882848 GQXMFTGIQOLNLG-NWDGAFQWSA-N 432.499 -0.916 50 20 IBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(S(C)(=O)=O)c1 757673535 HQBVEGZVNDYEID-VIFPVBQESA-N 433.464 -0.536 50 20 IBGD COc1cccc(-c2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(C)n2)c1 764226421 IJYKXGJIOIHFEC-JTQLQIEISA-N 438.466 -0.881 50 20 IBGD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764228691 ZYHYUKBIPDVWHD-SNVBAGLBSA-N 429.455 -0.697 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)cn2)CCN1 764243149 NIQWGRNLQDITGS-UHFFFAOYSA-N 435.444 -0.241 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 790063591 NXTJGYONRBNFFI-UHFFFAOYSA-N 442.494 -0.643 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 800623101 GHSMHYQOPJSTBZ-SSDOTTSWSA-N 444.363 -0.210 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 810345995 YHAVZVKMQCYOQT-ZETCQYMHSA-N 447.322 -0.643 50 20 IBGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)CCOc1ccccc1 812881625 WAVAETZOUFIECV-AWEZNQCLSA-N 426.495 -0.179 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 812974320 YCJSTOALEFLZFA-VIFPVBQESA-N 426.455 -0.388 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778103517 VGKQTAJOQZZKPG-VQPPSCEASA-N 445.325 -0.639 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1778780643 HHBXSFRTJQVBCX-HWWQOWPSSA-N 436.303 -0.088 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032583 UTLDKKLLXKCDCF-VLIAUNLRSA-N 442.480 -0.944 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ncn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981061 NUAWKVSRMBKZMW-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984357 AQDZZBWEAPLSKL-ZVZYQTTQSA-N 440.265 -0.928 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984541 ROLGHDPKSCOFNL-JQFCIGGWSA-N 441.249 -0.920 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cscn3)C[C@@H]21 1788610098 DDENWKNPZQKVTK-ZLIFDBKOSA-N 444.517 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(Cl)nc1 1792370216 IIOAUSGZGWPHKA-JJLQDPRZSA-N 445.867 -0.355 50 20 IBGD Cc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1794073885 UWZJSDFNINYBQX-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740263 LUUJICQICBGGHR-RMFSNUHRSA-N 449.272 -0.236 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1 1796373826 JOCJHIXYOVGUEA-VQQMMKBISA-N 443.548 -0.337 50 20 IBGD CN1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)C1 1813606133 GJWNBMVTXRCNTC-HNAYVOBHSA-N 437.504 -0.039 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cnnn1 1826972984 RLZKRKLDYIFUAZ-GWCFXTLKSA-N 441.282 -0.704 50 20 IBGD O=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)=NN1 1827057968 OPXYUBYYPOZIGJ-SFHVURJKSA-N 426.282 -0.524 50 20 IBGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829758500 JZFFQWIWHDCELX-ZBEGNZNMSA-N 433.918 -0.096 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362389 UVVVROWHUQMFDU-UGSOOPFHSA-N 435.905 -0.228 50 20 IBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830545914 OKRSDKOGCRDYLU-BLLLJJGKSA-N 436.303 -0.170 50 20 IBGD CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CCC1=O 1833688477 QTGMPAULIJKSFJ-INIZCTEOSA-N 427.933 -0.234 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)C(=O)O 1835761816 AKOOCJKTJTYPDL-OAUYIBNBSA-N 440.324 -0.258 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835798419 VKQHASMYSVIJAH-GOSISDBHSA-N 440.526 -0.832 50 20 IBGD C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1(F)F 1835934192 PAFBVAUKDKPQDF-OALUTQOASA-N 438.236 -0.518 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837366872 MMLCTDYDTDGJLR-ZBEGNZNMSA-N 431.287 -0.508 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840155534 ADDNAIGKZQKPNS-CZUORRHYSA-N 426.919 -0.869 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840182259 BCGALYYUCWBLEJ-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)n1 748464698 ITXWOLPOQSITQM-UHFFFAOYSA-N 428.497 -0.036 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1C 750665324 XFKAVIDHHILCIP-UHFFFAOYSA-N 447.477 -0.251 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 762964364 MVNYQBFFGZDIIZ-ZDUSSCGKSA-N 434.474 -0.013 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 893187418 FYERXIRWLFSEBR-NWDGAFQWSA-N 435.549 -0.208 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc([N+](=O)[O-])o1 1783359714 JURVQKJMGXAFJE-QRTARXTBSA-N 443.221 -0.225 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783530284 WJCATTRDEPPZHJ-SJKOYZFVSA-N 428.283 -0.085 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(O)n1 1786043253 BLRIACAEDLBDMQ-ZVZYQTTQSA-N 425.250 -0.626 50 20 IBGD O=C(CCc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787105201 CFMYCCKYBUQDIQ-JBACZVJFSA-N 437.305 -0.013 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978608 IKMNKIXDONFXST-ZQNQSHIBSA-N 449.932 -0.549 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737842 ZJIQMCQRKQMIQT-CCWDJLKJSA-N 432.282 -0.699 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(O)nn1 1805267522 JQRFHIYRPLULGH-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1813073305 KSXZMGXSLVLKKO-LIRRHRJNSA-N 429.481 -0.664 50 20 IBGD O=C(CN1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050657 BWIVCLMYCNFOQQ-OAQYLSRUSA-N 443.353 -0.068 50 20 IBGD O=C(CN1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055404 YSENTCAPTFOTFW-NRFANRHFSA-N 443.353 -0.068 50 20 IBGD Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831829822 USMHCYOZILPGSA-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935417 RYPICFHWHMUETM-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1835940213 ZHIPIGYJEAJDNO-NEYJZJCJSA-N 444.318 -0.689 50 20 IBGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350674 RBBXAGKAHIGTCY-OAHLLOKOSA-N 448.911 -0.017 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2nnc(C)c(=O)[nH]2)cc1 11548333 KEDVIDUTERYBNI-UHFFFAOYSA-N 437.482 -0.623 50 20 IBGD Cc1cc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl 15889354 YIGIHQWFADWLHR-UHFFFAOYSA-N 434.840 -0.378 50 20 IBGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 728384768 LIERFQAWNDEGIT-SOZUMNATSA-N 428.511 -0.295 50 20 IBGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N1CCOCC1 745991731 GDICBMPZECJGKR-CQSZACIVSA-N 446.913 -0.054 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1 751262906 RKSKCEANBUPPRG-UHFFFAOYSA-N 430.464 -0.348 50 20 IBGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1N(C)C 755748367 ZYQVLGZGOMBSOR-UHFFFAOYSA-N 428.453 -0.339 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 756279384 AYCRXTIRWUKANA-GFCCVEGCSA-N 443.551 -0.105 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cnn(-c3ccccc3)c2)n(C)c1=O 756708923 TXIDSOGACMAKNC-UHFFFAOYSA-N 437.420 -0.528 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1S(=O)(=O)NC1CC1 756710383 BUPNDMIAAUROHU-NSHDSACASA-N 447.539 -0.165 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 756838287 MAXSMGFVKWZTAU-HZSPNIEDSA-N 426.474 -0.277 50 20 IBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763571092 KIOBWKHQQRRBPM-AWEZNQCLSA-N 438.393 -0.601 50 20 IBGD C[C@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCN1c1nccn2cnnc12 771200052 PNNFEPNHZYJNHV-ZDUSSCGKSA-N 448.451 -0.335 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)N[C@H](C2CCCC2)C(F)(F)F)n(C)c1=O 775775192 YUIKNVWRISHCJR-GFCCVEGCSA-N 445.402 -0.115 50 20 IBGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 799259227 RMXWHENVHDQPHA-JTQLQIEISA-N 442.885 -0.142 50 20 IBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1)[C@H]1C[C@H]1C 815569361 QBXBAGLZWKUMAI-ZETOZRRWSA-N 439.494 -0.529 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 816882238 AFBDPQRUAJXLEU-LLVKDONJSA-N 430.446 -0.391 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)c1 915188458 OIAYICKNOVKPSZ-UHFFFAOYSA-N 446.532 -0.351 50 20 IBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@@H](B(O)O)C2)c1OC 1261844209 HARMQQNYPOTDLO-GFCCVEGCSA-N 428.272 -0.586 50 20 IBGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028743 KGNLIUXNWMGENC-UWJYYQICSA-N 430.509 -0.387 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1783933521 OQRYYNHASVBAGK-NRFANRHFSA-N 446.508 -0.986 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982946 CYTODIBQQSDPOC-KCMWZYNZSA-N 448.281 -0.479 50 20 IBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc1 1787759359 VAFZBOIBZFHOMA-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1790867257 NZVCZOCRYVDPKW-FFZBHTJOSA-N 446.508 -0.375 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287890 AXIRYLHUXGBYDC-VGWMRTNUSA-N 425.530 -0.746 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792516266 IZZCQJMDZZWSIV-LZDSYCOUSA-N 429.433 -0.785 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795734516 QGLJIUZSLBAWMH-OYGISIJKSA-N 445.281 -0.901 50 20 IBGD Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1796747157 CSKMIXIDUZCGPK-QCMRWSPLSA-N 435.706 -0.015 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1796890638 CEWRUZKSYFPLOC-PWIFXLDZSA-N 443.464 -0.643 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2cccn2cn1 1797100311 RELFFVYMCJUEQE-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799344772 VJTBLKJQMZZEII-RMPHRYRLSA-N 429.308 -0.053 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)N1CCN(C)CC1 1799348752 OTHPBQMNXBDFCV-QMIVOQANSA-N 435.338 -0.098 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2c1 1800010045 CMPVVCRXZHVZPA-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800644318 PHZMJTDJJOUFRK-HLPPOEQASA-N 436.347 -0.964 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1801012741 IAAAQHXXDLYOEI-BMQTXXJKSA-N 432.521 -0.447 50 20 IBGD Cc1ncc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1801331371 XEZDEAZXADFUJO-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD Cn1nc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cc1O 1807369095 AJPKEAXFHDNWEU-JXFKEZNVSA-N 449.276 -0.166 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350208 KGDFLVHQLXNMDB-SMDDNHRTSA-N 444.322 -0.037 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(N)=O)n[nH]1 1821950841 GRUZPZKIEPKRBN-AWEZNQCLSA-N 428.453 -0.020 50 20 IBGD CC(=O)NCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821978330 GBXYJSWPJZSVRS-QGZVFWFLSA-N 427.270 -0.078 50 20 IBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1 1833627625 CWPXSYZMTYNQKM-RDTXWAMCSA-N 431.848 -0.101 50 20 IBGD CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C(=O)O 1834822327 HVBAYCFQEIIDAY-BLLLJJGKSA-N 436.303 -0.710 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927087 DHZDMFMDVCDZFS-XLIONFOSSA-N 438.717 -0.156 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1845070890 IUZIAZNWPVUHIS-AEFFLSMTSA-N 425.294 -0.416 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847512464 CBTDPFIUGARAKT-KKUMJFAQSA-N 441.529 -0.553 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)N[C@H]1CCS(=O)(=O)C1 751362392 OINTUIWGCDNBQC-HIFRSBDPSA-N 448.505 -0.067 50 20 IBGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 764002855 UAPXEMVYTFQGBM-AWEZNQCLSA-N 440.522 -0.072 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cc(-c3ccccc3)on2)n(C)c1=O 766644829 QGRKLAWWXVIFIT-UHFFFAOYSA-N 437.416 -0.521 50 20 IBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766648534 HORIWUXHZSWGDS-INIZCTEOSA-N 437.522 -0.984 50 20 IBGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2C1=O 784004993 NNAIFMCXNVEQQW-UHFFFAOYSA-N 429.414 -0.510 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 845927073 WSZSEXILNOOWEX-IYVPYFHTSA-N 442.384 -0.294 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783534498 VIUCKQKRONXTHR-GTNSWQLSSA-N 440.298 -0.088 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783880077 BEPMRVLEVYJYFJ-UGSOOPFHSA-N 442.856 -0.160 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784131582 ZNTIFRHMMBIWDS-GXZWQRSESA-N 431.493 -0.320 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21 1787506554 GLFTXQMTWFASGR-ZNRVUELVSA-N 431.493 -0.129 50 20 IBGD Cc1cnoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789126240 PCVDSBZADHZXSN-RCBQFDQVSA-N 428.449 -0.111 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C(C)C 1791291405 UOYATSSHAFRPLE-OGNFBWPZSA-N 440.541 -0.073 50 20 IBGD Cc1cc(C)n(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795741064 YSDSWAHOAVAKBC-RMFSNUHRSA-N 440.309 -0.527 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800759547 UZHLYFYATUZUGU-DALJILGISA-N 449.298 -0.146 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1801011507 RGSPUFRISVHETA-FVCICTRLSA-N 429.481 -0.466 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372494 FROUFRCSIRCODW-NQIIRXRSSA-N 438.293 -0.393 50 20 IBGD N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728634 WUKYTUHQQIFRAC-BXWFABGCSA-N 426.901 -0.993 50 20 IBGD O=C(C1CCC2(CC1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735028 CBZAUENDTOADGB-APWZRJJASA-N 446.928 -0.024 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831345470 KKNMEDFGMPKZQA-XJKSGUPXSA-N 426.919 -0.869 50 20 IBGD Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834367045 KJEDXJNGRUORBH-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1835926270 JPVOQWFHOYPDCH-WIYYLYMNSA-N 432.282 -0.995 50 20 IBGD Cc1n[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836153036 CQXVSHGNOUTDPC-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836206059 LQCYTXKROSVPDY-BBRMVZONSA-N 430.303 -0.235 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)n1 1836717194 MPIIZZLJHVGOIK-AWEZNQCLSA-N 428.921 -0.082 50 20 IBGD COCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456578 OPFCSNNYYPYSMY-HXUWFJFHSA-N 435.481 -0.818 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1837462785 RESUPHYEDOYAIS-BTYIYWSLSA-N 447.492 -0.818 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838729253 VRLZXOIBUFCUMU-OAHLLOKOSA-N 447.916 -0.218 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1839917565 NXCUIIYLMYRMKW-QFBILLFUSA-N 435.949 -0.863 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1840185307 NWTVBJYHUSCXJA-GUWAZMKPSA-N 446.508 -0.681 50 20 IBGD COCCn1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1843515010 YXDPMZHTFASIFL-UHFFFAOYSA-N 427.465 -0.341 50 20 IBGD CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728373146 YRCCYDXDUPGBSS-ZFWWWQNUSA-N 443.547 -0.115 50 20 IBGD C[C@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 742612252 INIZYDWRTZZANB-LLVKDONJSA-N 433.446 -0.326 50 20 IBGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1=O 758044505 MGJYTGHKZRXFLX-ZJUUUORDSA-N 432.886 -0.213 50 20 IBGD CCCN(C)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766641469 YMEYCKQFXVGLJX-UHFFFAOYSA-N 427.465 -0.259 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 917903995 MRNWPVGONQIESV-UHFFFAOYSA-N 449.537 -0.942 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1778357277 UUZOCWZMPIMMKI-NVXWUHKLSA-N 449.321 -0.329 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779279505 BPOHBRKWZWJBJR-OECUGOBDSA-N 444.492 -0.359 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc2nccn12 1783936044 BGRVHZGBPDBRLN-OAQYLSRUSA-N 443.508 -0.146 50 20 IBGD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cs1 1785291789 OHSCIZFFUPIJMZ-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)nc1 1794426302 UQWIXRWWXYLHIO-JLUCKKNBSA-N 431.898 -0.712 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccn13)C2 1801011172 KXKSCPBMWWFLJM-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1806810492 PGDOYUNNABZAOH-POAQFYNOSA-N 436.277 -0.640 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370915 NMIBTFMYQMJFRS-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807598621 BMAZEJCJDXYYMN-HNAYVOBHSA-N 449.475 -0.309 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1cc(=O)n2[nH]cnc2n1 1815323782 QHJLMYHXFKBVMV-GMSGAONNSA-N 437.869 -0.300 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478891 CSGPRBATQWKDTK-OAHLLOKOSA-N 429.242 -0.249 50 20 IBGD COC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089462 FXXLCOIUMAQFJO-JTQLQIEISA-N 426.499 -0.216 50 20 IBGD COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1831380515 FSLQWKMICULCGQ-OAQYLSRUSA-N 447.492 -0.818 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3sccc3F)C2)C1 1835927486 POLLMGZYTSRWAW-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837377084 HMPYABPBCRWFOW-SUMWQHHRSA-N 449.346 -0.065 50 20 IBGD CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921561 NSCUSDJQJONUKG-UHFFFAOYSA-N 431.298 -0.885 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2)NC(=O)NCc1ccccc1 1845039156 KQPRCEIRBUTGFD-UHFFFAOYSA-N 440.508 -0.172 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)n1 728732625 AHOVWQSJXLIEBT-UHFFFAOYSA-N 448.429 -0.076 50 20 IBGD COCCOC[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745863871 JMVQSVIYECEZMK-AWEZNQCLSA-N 430.531 -0.305 50 20 IBGD C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755515532 CHCQTXWBHXAFPS-FLIBITNWSA-N 441.404 -0.407 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)cc1 763735723 LJMKXAANHFMHRK-UHFFFAOYSA-N 449.489 -0.591 50 20 IBGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763892892 MWAQEMYYMHBFIQ-UHFFFAOYSA-N 438.448 -0.121 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 771971901 RCBQTGBCSKRFOI-RYUDHWBXSA-N 442.494 -0.456 50 20 IBGD Cc1cc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)ccc1S(N)(=O)=O 775224797 MAZGYQUEQPWMHJ-UHFFFAOYSA-N 425.492 -0.036 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778243927 SLYCKENIBPOXKI-NFBKMPQASA-N 436.273 -0.186 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779400621 OVXWIIOALRVBJJ-YIOZNXECSA-N 448.900 -0.405 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779400627 OVXWIIOALRVBJJ-YKTARERQSA-N 448.900 -0.405 50 20 IBGD CCc1noc(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779634608 BNIVUHBIVVYSLT-OAQYLSRUSA-N 427.266 -0.017 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1781997376 STAIVMXCKIBTBQ-SHFDMQKMSA-N 445.314 -0.118 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736662 DEWDRUYFPBDLMU-FAYQHZLMSA-N 434.254 -0.869 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1796440444 MASBRUYNLHNVTH-FAMUFBACSA-N 443.464 -0.356 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1798522141 HHJCFCZEGHHXEP-FVCICTRLSA-N 448.432 -0.189 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)ncn1 1803739780 ZVRXWNRGTQAKSK-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1813031361 QTSCDNUEXZNTDG-JKQORVJESA-N 425.917 -0.066 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823047043 ZUUZPJQUTBDAAN-ZFWWWQNUSA-N 442.306 -0.331 50 20 IBGD CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C(=O)O 1834822328 HVBAYCFQEIIDAY-LRDDRELGSA-N 436.303 -0.710 50 20 IBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1834824150 SZSXNNQLSDHMPI-INIZCTEOSA-N 429.271 -0.375 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cnnn1 1834826156 DIUPYLGQNRLEGT-IUODEOHRSA-N 431.291 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835293099 QLOOVMRBHCSLTA-UNMCSNQZSA-N 448.520 -0.451 50 20 IBGD O=C(CC(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935588 LSMBOZQPGQDZGA-QGZVFWFLSA-N 430.188 -0.611 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1835940217 ZPZWKYUVYDKFIG-MRXNPFEDSA-N 432.616 -0.732 50 20 IBGD CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836832430 NHSYWAANTAWWPE-UHFFFAOYSA-N 431.298 -0.885 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799261 YJTGSLABBODRIU-BZNIZROVSA-N 431.833 -0.358 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837904981 PHJOABWGZDJQAZ-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197308 PWLBDRKMIGNCSL-SWLSCSKDSA-N 439.282 -0.596 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)Cc2cc[nH]n2)c1 730102691 MIIBJNGSTQAOLL-UHFFFAOYSA-N 436.494 -0.440 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)COc1ccccc1O 742069629 KTCFCRSYSPUSIL-LLVKDONJSA-N 425.467 -0.364 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 758056007 QWSYXGJPNGZPQV-OLZOCXBDSA-N 446.551 -0.194 50 20 IBGD O=C(O)c1cc(Br)cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 762462623 LHXUEVSJFYOHLR-ZETCQYMHSA-N 441.281 -0.109 50 20 IBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 763570908 GWLRLCKBJMUTSM-SJORKVTESA-N 441.396 -0.059 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764435421 UXEFQAORZWTPOV-SMDDNHRTSA-N 428.467 -0.735 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccc3c(c2)OCO3)n(C)c1=O 764515312 ORFJZWYFBZKFNE-UHFFFAOYSA-N 431.434 -0.820 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)n(C)c2n(C)c1=O 765318716 NHKRIDZXLJEEDS-UHFFFAOYSA-N 436.469 -0.358 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782343222 VJYRIPSHZIWKKY-SUHUHFCYSA-N 431.442 -0.561 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783428853 YBVZJOUDRFSLOV-SJCJKPOMSA-N 446.551 -0.100 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1N1CCCC1=O 784002024 IZLHISAXGGSTNP-UHFFFAOYSA-N 443.416 -0.069 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CC1OCCCO1 792843746 QINYKHTYQGDXFT-UHFFFAOYSA-N 441.506 -0.059 50 20 IBGD Cc1ncc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C2CC2)n1 799230038 HGPONKRKUTVOOS-UHFFFAOYSA-N 427.425 -0.738 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777713997 LEGIFJBYKFDYBD-OAQYLSRUSA-N 436.233 -0.340 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779255016 GTZLIERJPGNRJU-MGPUTAFESA-N 425.530 -0.506 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1783935604 WJROVNSCOXVUIL-FQEVSTJZSA-N 445.480 -0.749 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784499857 ZAXZDAMLNFIZNL-HRAATJIYSA-N 426.282 -0.657 50 20 IBGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978790 VTCOKWOGKGSFPR-WDSOQIARSA-N 445.325 -0.734 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1791251262 CRWZATJJIOMDRA-JFILPPLUSA-N 439.900 -0.526 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1ccccc1=O 1791291106 LNSPRPKLAGUTCU-XSLAGTTESA-N 447.536 -0.238 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793617243 MBMAWIPSHYKWMT-LSSIXWDNSA-N 428.283 -0.326 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793828914 PYRPGTRMVNUIRV-NJBDSQKTSA-N 431.287 -0.841 50 20 IBGD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1794349932 RPJZILSXQJDYAR-IZZQQSIFSA-N 440.309 -0.165 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795692130 FOJPWXIYORURAI-WVTGSVNBSA-N 429.437 -0.548 50 20 IBGD CO[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795734460 IKAHLILUGZPCNU-YHELAOLJSA-N 438.289 -0.043 50 20 IBGD CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439628 SXIDNAFYVAXYMC-HXQQXZKVSA-N 446.508 -0.375 50 20 IBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cncn1 1815361921 UMTNUXKPIPLPLZ-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817297317 DAWRVDMBQHOPEV-XHDPSFHLSA-N 444.322 -0.085 50 20 IBGD C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1827060074 OQSDVEJELBUZPB-KXBFYZLASA-N 440.313 -0.153 50 20 IBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H](O)CCl)C2)C1 1828954587 ORFZXIXMIWMVTC-OXJNMPFZSA-N 438.912 -0.003 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835541080 PXNJLUJTHPUUDP-DOMZBBRYSA-N 427.822 -0.815 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838074515 VVKGFZPIKXLZBL-YSGZUTGPSA-N 447.540 -0.595 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840031391 OCTQLJXPTNARNV-SJKOYZFVSA-N 444.282 -0.061 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744646344 CLHULVXMSCSLPQ-LSDHHAIUSA-N 442.450 -0.299 50 20 IBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 748281137 XLIQEOAWAYHUIL-GOSISDBHSA-N 446.485 -0.065 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCNC(=O)C(C)(C)C)nc2)CC1 749419541 AJSRTOCOCWXKLW-UHFFFAOYSA-N 441.558 -0.194 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 749582592 LGMNRGYIDNYDBM-CHWSQXEVSA-N 438.462 -0.463 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2nc(Br)cn3ccnc23)cn1C 750248578 PZPSVTQUVHNUPJ-UHFFFAOYSA-N 443.287 -0.045 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 750659906 JIDGBNDKUNWZHD-UHFFFAOYSA-N 427.439 -0.488 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 760203284 JKEDSXHGDNIGHF-UKRRQHHQSA-N 441.510 -0.306 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cn1nc(C)cc1C)CC2 763891181 KZJOZYRHZHEIPH-UHFFFAOYSA-N 434.478 -0.855 50 20 IBGD COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764204751 YLZJSHDQUOWWSF-UHFFFAOYSA-N 426.373 -0.364 50 20 IBGD CN(CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 765395609 AHKBXISUUOJJRD-CQSZACIVSA-N 446.551 -0.731 50 20 IBGD COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 767851681 SKTCBBMTWDEKKB-UHFFFAOYSA-N 442.313 -0.143 50 20 IBGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H]3CCc4nncn4C3)ccc2O1 793448516 TXAQRTZGYVFODU-IAQYHMDHSA-N 435.462 -0.283 50 20 IBGD COc1cc2c(cc1S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)OCC(=O)N2 797432228 SXPRMBICCNILFI-UHFFFAOYSA-N 430.439 -0.140 50 20 IBGD Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2ccccc21 1778162797 XNYHWMDREWGTBW-OXJNMPFZSA-N 436.896 -0.230 50 20 IBGD CC[S@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1778821740 UCWULUSBGWKFQG-QTEAWJPNSA-N 437.522 -0.713 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029251 PVKOTLVCDHYQQU-NRFANRHFSA-N 446.508 -0.709 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033988 HILPNJWIROBEHD-KSSFIOAISA-N 425.873 -0.618 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779376177 ZQJCUVGMPMUMTO-FOIQADDNSA-N 448.480 -0.831 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21)[C@H](O)CCl 1784091057 IOPDVMVFKZZAMR-VTPLQMEGSA-N 440.909 -0.051 50 20 IBGD O=C(Cc1ccc(O)cn1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784640503 AFOUPTWTBXFKOF-OAQYLSRUSA-N 425.250 -0.847 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979601 BTQCRTHPGVRCDF-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cncc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984251 VFCKWAAYPQTDJC-YEWWUXTCSA-N 445.231 -0.053 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccncc3)C[C@@H]21 1788610272 VKNAZECOHPGUCY-SNRMKQJTSA-N 438.488 -0.084 50 20 IBGD Cc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccn1 1795733033 ZJDTYLZQQTXMJH-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736737 IETQOHZKVCGXIA-JLVBRIDZSA-N 447.297 -0.906 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccn(C)n1 1795809592 JGKUBEDHSJGROZ-BHTPPFENSA-N 441.492 -0.314 50 20 IBGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)CC1 1797936993 XUJWSOLSFJSEPG-BCDXTJNWSA-N 436.557 -0.838 50 20 IBGD CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442739 BEEYNNKFZCLNDJ-CLLJXQQHSA-N 433.538 -0.579 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3nc4ncccn4n3)CC2)C1 1809971923 CRFSGXVMCZIWQC-UHFFFAOYSA-N 448.292 -0.037 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1813031018 IYAAMTJPXRRDGL-DWRORGKVSA-N 440.928 -0.008 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1813072138 ANUPXRGCMZCELS-YWZLYKJASA-N 441.492 -0.143 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735254 FJVXWDVSWKRPNO-UGSOOPFHSA-N 435.905 -0.433 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310695 YRUCZZKZMNLMTH-CJNGLKHVSA-N 431.965 -0.135 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1)[C@@H](O)CCl 1833312787 DQGKJRUIDFOWKJ-ZDUSSCGKSA-N 442.866 -0.164 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016223 CXLZIMQTJXGUPW-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715556 XKTDSQWNNIPYCC-DNVCBOLYSA-N 427.574 -0.015 50 20 IBGD CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838754625 BKOHVHDRPPSQSC-UHFFFAOYSA-N 439.557 -0.116 50 20 IBGD Cc1cc(/C=C/C(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)no1 1840185624 QRKDCLQCIGQKRR-LWQICCLCSA-N 449.508 -0.174 50 20 IBGD CNC(=O)CC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845038192 CAKVHSAXIUXPQC-UHFFFAOYSA-N 430.509 -0.328 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1nnc2ccccc2c1=O 12702785 ZKWNJLAZWHEGOS-UHFFFAOYSA-N 429.462 -0.146 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725740992 KJOMBPPVFWVASW-UHFFFAOYSA-N 440.503 -0.136 50 20 IBGD Cc1cn2cc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2n1 756323209 YAHJLYDTQFNFPB-UHFFFAOYSA-N 425.409 -0.757 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763717231 SFYMSXVPUUWYEX-UHFFFAOYSA-N 444.492 -0.057 50 20 IBGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 788166781 RMCGCIWNGXASBP-UHFFFAOYSA-N 441.510 -0.682 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCO2 794393778 SXCVPZGJXRGNQQ-SNVBAGLBSA-N 428.405 -0.887 50 20 IBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 1321060675 FOHWQSCTEFMDHD-UHFFFAOYSA-N 429.458 -0.155 50 20 IBGD Cc1nc[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778256048 SKIKMWFAIGNKRX-DYESRHJHSA-N 426.282 -0.161 50 20 IBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779029308 VQPXNZCMRLVXQK-HXUWFJFHSA-N 445.455 -0.133 50 20 IBGD CN1CCCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780589367 OGPLDMXLIGEUCD-MIZPHKNDSA-N 443.353 -0.022 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783337157 ZKTDEOSGXLAGDB-NFBKMPQASA-N 438.289 -0.587 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783936670 YRCRGFDYXHYYMV-LAAGDHCCSA-N 439.513 -0.282 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978695 MSASVVWWPBAPAA-RGHULWKBSA-N 449.932 -0.549 50 20 IBGD COc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1794054187 UYELMNVOVMXLDB-FAQVEIGNSA-N 447.536 -0.015 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1 1794164624 GHKVFAKKNYORNO-WVNFENISSA-N 439.476 -0.257 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(Cl)cn1 1795760402 VYWBFSHHSDWFFR-DPIQGUFMSA-N 447.883 -0.562 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754410 VGEMQYDMEQYIMV-JLUCKKNBSA-N 425.873 -0.858 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800232139 RSPYHYGIPXQYNJ-NFFDBFGFSA-N 449.464 -0.550 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810348011 ICPSUQUNHTZFDK-CYJAXWMASA-N 426.901 -0.662 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812648137 HDPUSXBWCWKBPJ-DJKXOVBDSA-N 438.293 -0.394 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cnnn1 1813471724 ADUUGPJYRYKKMN-OGWOLHLISA-N 443.512 -0.292 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657120 JIZCRLHBYSRQNJ-BVJIBDCISA-N 435.289 -0.027 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825199953 TWNFOWHBGJURBT-UWVGGRQHSA-N 443.489 -0.497 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCCS3)CCO2)C1 1831553868 MWKXUGKVIUQWPF-FQEVSTJZSA-N 447.517 -0.224 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1)[C@H](O)CCl 1833310888 XPSCTKGVDUOCOI-CQSZACIVSA-N 427.889 -0.327 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826717 UMHWSFBWIHKAKF-KRWDZBQOSA-N 449.346 -0.399 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834939050 AUTKIXZNHSIVAG-QCBCRBAMSA-N 434.497 -0.862 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c[nH]1 1835928022 ASRJTMCDCTUQKW-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD Cn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935233 JSIFZXHRXRVAFK-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD O=C([C@@H](O)CCl)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836717142 KEYMGYYOPLMDCN-QFBILLFUSA-N 433.933 -0.765 50 20 IBGD O=C(Cn1ccncc1=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836719599 ZYAPWASPRAPUFW-INIZCTEOSA-N 426.901 -0.158 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837843987 QXTSZWIRUWLPCC-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840036902 SFGAPYWFWBOVBJ-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840156627 XAYMFDQSRHNCDD-HNAYVOBHSA-N 431.917 -0.291 50 20 IBGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 14870845 YAYKRCUGPJNZLG-SNVBAGLBSA-N 434.448 -0.996 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 729227057 HDWVNRWVZXPHTF-MRXNPFEDSA-N 447.473 -0.133 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742535486 UJHAZTRSKSZDNJ-RRCSTGOVSA-N 435.458 -0.596 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 745445754 NBNHOBFTVULAEG-RFOKVQRGSA-N 429.429 -0.150 50 20 IBGD Cn1cc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2=O)cn1 750276887 PWKSLRSDEKYWNA-UHFFFAOYSA-N 427.469 -0.484 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ncn1 763737133 ONZGWOHRLTVRBZ-UHFFFAOYSA-N 436.450 -0.800 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCCCN(C)C)cc1 764227430 NZNNNKFBYSXFOS-LBPRGKRZSA-N 429.499 -0.959 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772896818 CJAQCRRHZRIZBO-GVAFMPQTSA-N 430.848 -0.089 50 20 IBGD O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NNC(=O)C(=O)NC1CC1 789308756 FVTRWKBYAPXKLW-AWEZNQCLSA-N 435.456 -0.548 50 20 IBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)O 790388368 GQSPDXJCBYHGRJ-LURJTMIESA-N 429.860 -0.706 50 20 IBGD CN(CC(=O)NNC(=O)[C@H]1CCc2nncn2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 816883238 XHUSCLRSHOUDPJ-NSHDSACASA-N 437.438 -0.783 50 20 IBGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919886503 RYNSDNYSEINABW-ZDUSSCGKSA-N 432.524 -0.248 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778509042 MARFBMAWZSEODE-JOCHJYFZSA-N 434.261 0.000 50 20 IBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccn1 1779557233 KWYKYLHDJFGGQG-NRFANRHFSA-N 425.250 -0.473 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782711331 FETSWUODCWQATD-AUUYWEPGSA-N 428.486 -0.249 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783883843 LVWWSDPFIPPAGO-UGSOOPFHSA-N 428.873 -0.659 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(=O)OC(C)(C)C)CCO2 1783933697 VSDUGSYTWJJFKW-HXUWFJFHSA-N 426.514 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979549 WUAOGXNDQRRDBO-IHPCNDPISA-N 436.273 -0.157 50 20 IBGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)NCc1ccco1 1792981060 PNQDQGVXPCIMLD-VSGRKUHDSA-N 425.869 -0.359 50 20 IBGD COCCn1nccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1797054711 DNCXVQMWMPEZRB-BCDXTJNWSA-N 426.282 -0.225 50 20 IBGD Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804743694 JLRHBQSHRBKHMQ-QFBILLFUSA-N 434.265 -0.477 50 20 IBGD COC(OC)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363788 FQEKOOLWECFSNN-SJLPKXTDSA-N 427.266 -0.300 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)N1 1817473162 JHIOQDQHPFMTOX-GOEBONIOSA-N 425.254 -0.326 50 20 IBGD O=C(Cc1cnc2ccccn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719958 PMCWYIAYAATABY-OXQOHEQNSA-N 436.896 -0.067 50 20 IBGD N=C1NCCN1CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822395 LCSZNMNOWRFDJB-INIZCTEOSA-N 432.319 -0.932 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc(O)nc(O)n1 1835075730 HRNZWBDWDYLTMT-CQSZACIVSA-N 427.889 -0.327 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1836764113 CBQUBIQPDFMGTD-SJLPKXTDSA-N 434.896 -0.859 50 20 IBGD COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838789749 YJBAPYXDJGVMHM-UHFFFAOYSA-N 441.529 -0.286 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030261 HGQXARZMPFBMFI-DOMZBBRYSA-N 441.344 -0.339 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840153525 RYGGYCHXBPRSSL-BDJLRTHQSA-N 431.833 -0.358 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1840184601 WQBRVEYOGOPBOV-FQEVSTJZSA-N 439.488 -0.393 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843351729 CRJIWXDFEZQHFW-FOKLQQMPSA-N 427.421 -0.161 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 742032769 AGXXOOCMBGEPAH-IAQYHMDHSA-N 437.478 -0.309 50 20 IBGD COc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCC(=O)NC(C)C 758043921 LDARIFCEXXEFPJ-NSHDSACASA-N 430.483 -0.703 50 20 IBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763820074 KVAZJFFVHUMQRC-UHFFFAOYSA-N 448.505 -0.214 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OCc1cscn1 764227670 PUUCOVVSNSCTPK-JTQLQIEISA-N 441.491 -0.254 50 20 IBGD Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2C)c1 764229964 GOUDQISRQHFOIZ-CYBMUJFWSA-N 436.494 -0.179 50 20 IBGD CCCc1ccccc1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764378884 ORSQHEJTVPWZPH-UHFFFAOYSA-N 441.448 -0.828 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)n(C)c1=O 765732907 XXCJLSBLMQTVPN-NYHFZMIOSA-N 436.472 -0.125 50 20 IBGD O=C(NCCNC(=O)c1cc[nH]n1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 780879130 RJMJMIZLLBJJLP-UHFFFAOYSA-N 449.493 -0.432 50 20 IBGD Cc1nccc(C=NNC(=O)C[C@@H](C(=O)NN=Cc2ccnc(C)n2)N2CCOCC2)n1 814855290 JBITYIDCPDRMQB-SFHVURJKSA-N 439.480 -0.425 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1 815565772 ZOBRTXUDNYTADI-UHFFFAOYSA-N 430.446 -0.332 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1C 817988437 PRAKMLGUWZDQRS-UHFFFAOYSA-N 426.476 -0.101 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778479702 AEIOSNBCTGOBKX-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028387 KQFMOTHLBZILDC-NRFANRHFSA-N 441.492 -0.358 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036606 BPLSRQUJAMGKEX-OAQYLSRUSA-N 441.492 -0.289 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1OC 1783934727 GNDOVQQZFNQYPM-OAQYLSRUSA-N 449.508 -0.085 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2 1796439729 YZVCXUAKFYXYKD-DHMDNZFNSA-N 439.476 -0.257 50 20 IBGD COCCn1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n1 1797064954 TWZXVFCGSUMNDQ-BCDXTJNWSA-N 426.282 -0.225 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374336 HCTHIAXESCXYGL-CRAIPNDOSA-N 435.249 -0.177 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813137268 WHIPTOWLFYRMDF-LUQKVYGDSA-N 444.536 -0.013 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1830985626 OBTPUNLFOWOGQB-UZLBHIALSA-N 436.513 -0.727 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1831416352 QVEWGWZHUMYXSG-HKUYNNGSSA-N 427.310 -0.264 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)n1 1833309826 AKCNGUBPPCOWQS-AWEZNQCLSA-N 427.937 -0.509 50 20 IBGD Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1834286321 HDACYKWJXFYMHD-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840216708 JLHVLLKOAODDFO-NRFANRHFSA-N 445.476 -0.551 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264201 NLXDBNFXNJYVCB-SJKOYZFVSA-N 444.282 -0.849 50 20 IBGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894437 DGHGHOXUAOFJKB-GFCCVEGCSA-N 426.308 -0.389 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1)NC(=O)NCc1ccccc1 1845994363 CGUYTCXJNJWXMQ-UHFFFAOYSA-N 430.509 -0.199 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1846384260 WAXFTEWCQYWPIP-ZDUSSCGKSA-N 446.508 -0.431 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 728511863 DSQTUMCOEPHOQO-CYBMUJFWSA-N 438.510 -0.824 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731827697 BYFVBFGTRCSEIM-UHFFFAOYSA-N 430.402 -0.357 50 20 IBGD CC(C)CS(=O)(=O)CCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117706 GPKSXONAAKLRGB-UHFFFAOYSA-N 447.583 -0.078 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)nc1 745830232 MOWVTHKSLZQRMT-CQSZACIVSA-N 441.558 -0.018 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 755352966 CKTXLHDGKPVJBY-LBPRGKRZSA-N 446.507 -0.705 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 763771415 AGUGQWYMFAEZCD-UHFFFAOYSA-N 440.416 -0.012 50 20 IBGD CC(C)CCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 764203228 QFGNGFQSCBOZCX-UHFFFAOYSA-N 439.494 -0.671 50 20 IBGD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764230355 HHNOTMWBTOTHIZ-VIFPVBQESA-N 447.901 -0.498 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 764398169 DQQTZLUVUYULEY-LBPRGKRZSA-N 442.494 -0.427 50 20 IBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766662735 DNSFWMZGFGUIOJ-UHFFFAOYSA-N 445.973 -0.067 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)nc1C 778424039 KFNMSIHHWHKUEU-UHFFFAOYSA-N 426.455 -0.029 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779622725 QZAJOBFCZNRXBP-SFHVURJKSA-N 438.550 -0.189 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998540 ALIVKLBRBBQJJZ-UHFFFAOYSA-N 439.494 -0.575 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCC(=O)N3)CC2)cc1 799696566 ZSLRRSWCHRPXQX-MRXNPFEDSA-N 437.522 -0.883 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 816880059 BPWPRCWKQUITSU-CABCVRRESA-N 448.505 -0.241 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCOC)C2)c1 914456785 BKCFHDQFQSLLEJ-HNNXBMFYSA-N 440.522 -0.027 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 920239229 YEEFZOCPROZLTR-ZDUSSCGKSA-N 447.539 -0.695 50 20 IBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CC(F)(F)F 1319372697 NPORLWAQUXDEEB-NSHDSACASA-N 445.441 -0.132 50 20 IBGD CC(C)N(C)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782736295 IWPVLPNGNHNVOY-DENIHFKCSA-N 431.342 -0.166 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(=O)c1ccco1 1785136251 NNIPYCIJMMRURL-ZVZYQTTQSA-N 426.234 -0.564 50 20 IBGD Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795732898 PZQATQXSPNDVJS-CCWDJLKJSA-N 444.322 -0.638 50 20 IBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795732917 SIWUIVRWRKCLLP-OYNZLANYSA-N 444.293 -0.841 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1796440552 QHKFDSQSQYMCEX-HAUZGWTQSA-N 435.510 -0.663 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccn2cncc12 1797522085 BVKLNUAWZZHEQY-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C)n1C 1798391450 NTGDMAMXKQSRRP-XEMDLRDOSA-N 425.294 -0.161 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)CC 1800641612 FTFYYCWJJCRUGC-OJROKELRSA-N 436.303 -0.186 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cc(O)n[nH]1 1807283866 JLDAQHBUTYYSQY-KXBFYZLASA-N 435.249 -0.177 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1823880592 PCUITYKIUAKMPL-IBGZPJMESA-N 444.341 -0.129 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724076 CNIDRVYARFGKJA-SUMWQHHRSA-N 432.836 -0.548 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831463657 GVMPTAGGVOWSFT-NHYWBVRUSA-N 431.338 -0.073 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1831651650 SFOAIZKIJSAYQH-IEZWGBDMSA-N 433.933 -0.499 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832198474 HQFFKISMKCUVHQ-LPHOPBHVSA-N 437.884 -0.513 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833827855 WHBAYJAFDDGGHU-SCLBCKFNSA-N 428.873 -0.064 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cs1 1840183759 YJMSLCOVBNXDKH-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894440 DGHGHOXUAOFJKB-LBPRGKRZSA-N 426.308 -0.389 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C(=O)NC1CC1 9889207 DKPWXNSBFYXQOO-LBPRGKRZSA-N 432.499 -0.348 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 729276847 MFOAZFQKWGRBMD-ZYHUDNBSSA-N 426.451 -0.895 50 20 IBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1COCCO1 744642967 IORVQZNRCVNYEZ-MRXNPFEDSA-N 443.478 -0.531 50 20 IBGD CCn1nc(C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 749399575 LKHSNITWYYTOBX-UHFFFAOYSA-N 445.457 -0.096 50 20 IBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cnn(CCN2CCOCC2)c1 756827954 ZSLXTKHPEURMPJ-UHFFFAOYSA-N 426.441 -0.343 50 20 IBGD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764425215 NWXALUQCULJBOZ-OAHLLOKOSA-N 436.490 -0.315 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1=O 771494004 OKGBPHOAQLVECN-IBGZPJMESA-N 440.420 -0.012 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C 798308842 PAINUQIRYKDJNO-ZFWWWQNUSA-N 436.490 -0.575 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2nnn(-c3ccn(C)n3)c2C)cc1OC 814578385 WSMQWFGRMUVYFM-UHFFFAOYSA-N 443.420 -0.056 50 20 IBGD CSC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 919886234 RQDFECLZTKQZKB-FDYHWXHSSA-N 446.551 -0.589 50 20 IBGD COc1cccc(/C=C(\C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 920744779 FEMRJSXOZGUFDO-NCPSJORJSA-N 435.466 -0.494 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1322577783 JYUOMJXKZZKKGK-UHFFFAOYSA-N 446.512 -0.896 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111068 DPTBEEBRAHFJCA-LPHOPBHVSA-N 428.961 -0.150 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325279 AWMYUIFYKFMWPT-ZBFHGGJFSA-N 432.246 -0.178 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782692884 WTRCAAANWUTEDH-VGOFRKELSA-N 431.342 -0.212 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784850212 CUXQSYFXLZWJPK-QPIFBIPLSA-N 429.477 -0.157 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1786400879 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-0.526 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1800977101 RPINGXLEADGQNQ-JAAXMTQOSA-N 439.900 -0.562 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803137937 FFZJMZIGTIFMND-DUVNUKRYSA-N 445.867 -0.268 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807054190 DXGJDMPTIKZUSJ-GUXCAODWSA-N 447.540 -0.947 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830543727 ALJNXSSNWBKTFE-XNJGSVPQSA-N 434.331 -0.002 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1831416731 RVBAVURZHJQTRT-IEBWSBKVSA-N 427.310 -0.264 50 20 IBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833784524 PEFOPPNMQISMFE-MRXNPFEDSA-N 442.904 -0.037 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421682 DMVCVAQKQDGCDA-HNNXBMFYSA-N 446.390 -0.064 50 20 IBGD 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O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 816882239 AFBDPQRUAJXLEU-NSHDSACASA-N 430.446 -0.391 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777713032 ATCZEROTMMQAMM-OAQYLSRUSA-N 436.233 -0.340 50 20 IBGD CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCBr)[C@H]3C2)CC1 1786406784 DNCSSELIWIZGKV-JYJNAYRXSA-N 431.375 -0.002 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1cccn1 1786981957 IEZCIHWIWGUHBK-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2cccnn2c1 1790431418 SBHAAJPQSZZSBS-NDXORKPFSA-N 448.288 -0.079 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)[C@H]1SC(=N)NC1=O 1796874840 LHPONLKJPUNBDR-LMXXTMHSSA-N 444.322 -0.579 50 20 IBGD CC(=O)O[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)C 1797590063 OBXCXHTUXFWKAD-NBMJBFSESA-N 432.282 -0.843 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n(C(F)F)n1 1798680180 VIESICJSYXYLCQ-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)nn1)c1cccc(B(O)O)c1 1801265022 AJQIPXABMVALMU-MUJYYYPQSA-N 426.238 -0.807 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368168 ZNTLBHIZPWNUDI-HEFCMCLBSA-N 438.293 -0.394 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1813073183 HXNXEUKKOXEEJG-TWOQFEAHSA-N 430.509 -0.404 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCS(C)(=O)=O)sc2C1 1827215261 QSWDTRLGYOQIIA-NSHDSACASA-N 445.567 -0.137 50 20 IBGD O=C(c1cccn2c(O)nnc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727965 LMTQSNDMRPOZRM-UGSOOPFHSA-N 439.856 -0.895 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837735886 CDODHYJFEBBMCI-WBMJQRKESA-N 426.297 -0.602 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1OC 1838839869 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C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186764 OJMXFRMLUNIOAX-IAQYHMDHSA-N 431.338 -0.073 50 20 IBGD O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CCN1 1840227920 BUCXVPLPLXKHSO-GUYCJALGSA-N 432.315 -0.246 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840577285 PUPBHCNCXLETSL-UZLBHIALSA-N 449.533 -0.349 50 20 IBGD COc1c(F)cc(CC(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(N)(=O)=O 725739457 HGBYPPNNIOEWHV-UHFFFAOYSA-N 444.466 -0.337 50 20 IBGD COc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1OCC(N)=O 731689165 HYXZWGCPZWYUIK-UHFFFAOYSA-N 435.462 -0.073 50 20 IBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 735647549 RTRPZRZIZVBFQM-UHFFFAOYSA-N 448.443 -0.238 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COCCO1 744646341 CLHULVXMSCSLPQ-GJZGRUSLSA-N 442.450 -0.299 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(F)c(Br)cc1F 756938069 DGQKGIRBPIRPKC-YFKPBYRVSA-N 436.256 -0.026 50 20 IBGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 764002478 MUCREPIFNKNXKL-QMMMGPOBSA-N 434.268 -0.022 50 20 IBGD CCOC(=O)CON=C(C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)c1cc[nH]n1 770836402 WMXDUBRBOIOTSX-UHFFFAOYSA-N 437.434 -0.442 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccncn1)c(=O)n2Cc1ccccc1 778387423 AZIWWKUMMDYMRP-UHFFFAOYSA-N 448.443 -0.321 50 20 IBGD COc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 783038008 YDYMRBZCBCDNFQ-UHFFFAOYSA-N 447.473 -0.103 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)C1=O 816876173 PSEFJDMCGOSHMF-YUNKPMOVSA-N 441.448 -0.536 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883606 BOFNHBDKQWLJQW-CQSZACIVSA-N 429.520 -0.143 50 20 IBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)cc(OC)c1OC 920435874 OPPJUVBZMBVDJS-LBPRGKRZSA-N 434.449 -0.165 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381169 RRMAQVPBTPBQCL-SFHVURJKSA-N 444.408 -0.926 50 20 IBGD CCC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)COC1 1781644549 BFKZERYRPGDDPX-XMSQKQJNSA-N 430.310 -0.080 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1783582409 QEUXMQQWAFDLOI-NXOAAHMSSA-N 425.530 -0.746 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)[C@@H](O)CCl 1784093607 BSSMXGMSQUILKI-JURCDPSOSA-N 442.856 -0.664 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1791251930 YYUMSMJAHHGLJC-XSLAGTTESA-N 430.977 -0.143 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792534325 HVSWHADMJJKFBB-COFVYEFASA-N 446.508 -0.375 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792884632 UEALUCUHEFDSTJ-XVIXHAIJSA-N 435.905 -0.939 50 20 IBGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nn1 1798753159 XSBPTEKYAKZKSV-CCWDJLKJSA-N 440.265 -0.928 50 20 IBGD C[C@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800190962 SDJKFGCLETXPPY-KBMWQNTOSA-N 437.305 -0.157 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1COc3ccccc3O1)C2 1801010543 FKTFNUKUZQLKQL-QKSJRXBFSA-N 446.504 -0.211 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801376960 BEFNILPWFZBSQS-UPHUGPLXSA-N 440.309 -0.837 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803140029 BBJBAJOCUULHIU-WWGRRREGSA-N 432.868 -0.110 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362695 HJZNPIRPCUXORF-WIYYLYMNSA-N 433.277 -0.022 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374149 ITUKBMACNZGLIS-VQIMIIECSA-N 440.265 -0.563 50 20 IBGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1829758498 JZFFQWIWHDCELX-BZNIZROVSA-N 433.918 -0.096 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719552 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438.289 -0.307 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788738739 GHCZZWQCEQVCAY-CBVHJVASSA-N 445.325 -0.736 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1791293118 KTYOPAPITJCSQL-JYJNAYRXSA-N 434.497 -0.792 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccnc3c1)C2)c1ccc(B(O)O)cc1 1795734338 MYDBZBTXOOCDGG-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2)c1cccc(B(O)O)c1 1795738752 DTXAXNYCKZSAPZ-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(O)nc1O)C2 1798440484 WNLHLFBISSEWFH-JGPRNRPPSA-N 427.421 -0.548 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801362707 GJVTZWYWTWVLMJ-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1802336066 GCVTWJFAHHFWMH-QDMKHBRRSA-N 445.524 -0.359 50 20 IBGD 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CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 760438584 ZXZZBMHRJUOEJJ-RYUDHWBXSA-N 432.499 -0.916 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 763471306 GXPXQAHWVRXCSW-HNNXBMFYSA-N 427.373 -0.104 50 20 IBGD COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764226054 DWHJSQFIJNETEL-SNVBAGLBSA-N 428.467 -0.839 50 20 IBGD COc1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 784843093 GQRKIITWJGPVAI-UHFFFAOYSA-N 448.461 -0.708 50 20 IBGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 797537173 BIQMOPASEHYTKS-UHFFFAOYSA-N 429.433 -0.059 50 20 IBGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 916108650 HIPQJRXGMUDYJH-OAHLLOKOSA-N 435.414 -0.350 50 20 IBGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029771 YPIYRABKYZLIRC-NRFANRHFSA-N 446.508 -0.565 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779095586 IXTINTAAHZXMRE-YSVLISHTSA-N 434.331 -0.360 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779437618 WADAAQCXXAAIEM-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD O=C(O)c1cnncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779691898 UJQPEZQDXQZAJZ-HBUWYVDXSA-N 426.857 -0.098 50 20 IBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2)NC(=O)NCc1ccccc1 1780559220 CIHWOTLKUQQDOC-XMSQKQJNSA-N 446.552 -0.195 50 20 IBGD COCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969441 GRPLOEOEQIZLRE-OAQYLSRUSA-N 433.509 -0.191 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781047448 RPKQXOWSARHCHL-QRDCCXFBSA-N 449.932 -0.057 50 20 IBGD O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2 1781841246 UHYCZZBYEZQUQS-CXAGYDPISA-N 426.341 -0.409 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783534500 VIUCKQKRONXTHR-PIGZYNQJSA-N 440.298 -0.088 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986606 PPGHDLGRNOEPBB-IEZWGBDMSA-N 439.277 -0.819 50 20 IBGD COC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826502142 SAWMBLCROGDLHS-GFCCVEGCSA-N 432.267 -0.595 50 20 IBGD NC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)c1ccccc1 1830722896 IRIANUHVSOKIPP-ABSDTBQOSA-N 425.913 -0.215 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730510 AUMZRDJVDUTMFX-AUUYWEPGSA-N 442.900 -0.405 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccon3)CCO2)C1 1834486463 NJFWUEDOIVCUPM-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837457086 XHDORXPVZSVCDX-LAUBAEHRSA-N 447.492 -0.676 50 20 IBGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182314 GRVAFUGUGIULRO-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cccc1 1840351303 RXJAVUDOCUZIAU-VGOFRKELSA-N 441.293 -0.501 50 20 IBGD CON(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl 16786205 FOKBIXGICPFTAJ-JTQLQIEISA-N 439.899 -0.282 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCN1CCN(c2ccncc2)CC1 726250871 JIECEQMWNZMUHN-UHFFFAOYSA-N 429.481 -0.053 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 746124027 YCBJITGAVAJTKW-UHFFFAOYSA-N 444.491 -0.582 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 758036866 WGFYZKJDIZCOAD-ZMZPIMSZSA-N 437.478 -0.930 50 20 IBGD CNC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760148310 XKBWFJNEHFFIAB-SECBINFHSA-N 425.389 -0.422 50 20 IBGD Cc1cc(C)c(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 764379063 PQJKLRNKCKXDPN-UHFFFAOYSA-N 441.448 -0.855 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C 864001742 GDJPNODEBHBGFL-AWEZNQCLSA-N 436.490 -0.005 50 20 IBGD COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1783215637 OPCIVLYOVSFRBQ-LJQANCHMSA-N 431.449 -0.918 50 20 IBGD CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784529245 KZCVDVLGCOIGHM-JQFCIGGWSA-N 446.508 -0.807 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785465426 GOPNNXQWEXKGME-JHUKZBBPSA-N 442.480 -0.458 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(=O)O)ncn1 1794679492 GBRLKMZTGLDJFP-ZSBIGDGJSA-N 439.432 -0.261 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1813069018 RSVDUDFYFOLCIN-RLFYNMQTSA-N 432.481 -0.431 50 20 IBGD CC(C)(C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797807 IKFXTKWFRVZDSK-HXUWFJFHSA-N 445.369 -0.041 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1)c1cccc(B(O)O)c1 1834801352 AHEDFAFEBIBZPE-QGZVFWFLSA-N 429.326 -0.412 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933695 AKNRGVKVQWGHFB-XLIONFOSSA-N 438.717 -0.156 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457167 YMMHDMUMCMCZCO-YCRPNKLZSA-N 447.492 -0.654 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838246313 PQZNXTDOXJPKAC-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839700207 JFONKQGRMBNBCV-MKNHVETJSA-N 438.550 -0.309 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840548845 DQJWKUJBTPZOPG-OAHLLOKOSA-N 441.344 -0.338 50 20 IBGD O=C1COc2ccc(S(=O)(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2N1 14849820 KPEJWCAAWODLCS-UHFFFAOYSA-N 439.475 -0.066 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)c1cncc(C(=O)NNC(=O)Cc2ccccn2)c1 729535827 OQFUPITWJOBDKY-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNc3ccc(-n4cccn4)nn3)CC2)cn1 741424233 AJVTYBDGSDCBSH-UHFFFAOYSA-N 446.497 -0.125 50 20 IBGD CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 755268939 SPJYVGGPCHRGCU-UONOGXRCSA-N 425.530 -0.018 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Cl)cc1F 755976423 YNTKZIOQNNTRHD-LURJTMIESA-N 431.851 -0.487 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)n[nH]1 763153261 KTJSGSZGPSXXSJ-MRXNPFEDSA-N 428.449 -0.027 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC[C@H]2CCCO2)c1 764230405 HWIXHZMCTLVJFX-QWHCGFSZSA-N 442.494 -0.424 50 20 IBGD COc1ccc(C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc1Br 764326943 RGIDJCZBJDCRCH-ZETCQYMHSA-N 437.272 -0.988 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCCN3C(=O)CNC3=O)CC2)cc1 766647226 BNJHQLFTVMQRMQ-UHFFFAOYSA-N 430.509 -0.408 50 20 IBGD COc1cc(Br)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1C(=O)O 772857940 PREDLHJCUZVQEF-UHFFFAOYSA-N 438.256 -0.010 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](NC(=O)C3CC3)[C@@H](C)O)CC2)cc1 779531647 CSKLTLZLHFJZLY-OXQOHEQNSA-N 431.537 -0.464 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1CCOc1ccc(F)cc1 800690866 RHRAERWBHHPZPW-JTQLQIEISA-N 428.446 -0.497 50 20 IBGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNc1nccc(N2CCOCC2)n1 802560474 TZFNQYJPUIJKGY-UHFFFAOYSA-N 434.478 -0.235 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N[C@H]1CCS(=O)(=O)C1 919886210 RFMPTUZPZLRWIA-RYUDHWBXSA-N 438.462 -0.672 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029604 VHQNJIFXDUMHLN-OAQYLSRUSA-N 441.492 -0.207 50 20 IBGD Cc1noc(N)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031232 OLPQBTJZLUACCH-IBGZPJMESA-N 429.437 -0.679 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781268314 NCROZGJDEJWCKL-NRFANRHFSA-N 430.266 -0.681 50 20 IBGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979526 VMVHXQBODJSXHY-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc2nccn12 1790413289 AVEKNBVVHZSTQF-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1 1795189725 WKLCEEYLQYERQB-YVWYUNDQSA-N 439.472 -0.033 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1ccnc1 1801305631 IYZCQPMZTAZWAU-CCWDJLKJSA-N 441.492 -0.435 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803671871 NQFMNOAIXXAZHT-KKVAFCGZSA-N 432.525 -0.028 50 20 IBGD Cn1nc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)cc1O 1809969186 MEHGGJZCCSFUFN-UHFFFAOYSA-N 426.282 -0.036 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1813030449 HHCYHPPYLNTIIO-JKQORVJESA-N 425.917 -0.066 50 20 IBGD CS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817054477 LSYIZCXXEHLDNI-OAHLLOKOSA-N 434.283 -0.560 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312985 OPLRUHVANNNZBA-KXBFYZLASA-N 433.933 -0.227 50 20 IBGD CC(C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833346042 CURORJXTJWDSSA-LJQANCHMSA-N 446.552 -0.113 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390565 BYPSOSNJKYVRGB-LIRRHRJNSA-N 442.900 -0.289 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835707794 QOFJFBQZHOQCJH-ZSZQSSIHSA-N 426.901 -0.208 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836767482 LTMZMDAMOPFTKC-YLJYHZDGSA-N 444.960 -0.376 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837767855 NPSNBDYEQLGJJS-SCLBCKFNSA-N 449.838 -0.087 50 20 IBGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838218977 XZTAGXKVKOZGGL-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1 1840355413 TVBSWTNETBHECR-UWJYYQICSA-N 435.525 -0.122 50 20 IBGD Cc1c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cn2[nH]cnc(=O)c12 1843014287 UMQGTKCWNXHTMZ-UHFFFAOYSA-N 435.249 -0.858 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1845440238 YLVDMNZQZCVRCA-OAHLLOKOSA-N 427.502 -0.594 50 20 IBGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 732573736 XFIRFCGYBCCERZ-AWEZNQCLSA-N 435.448 -0.016 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 748544595 IRGXAVUMMITGSP-UHFFFAOYSA-N 436.446 -0.102 50 20 IBGD COC(=O)c1cn([C@@H]2CCN(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)C2)nn1 760887945 XPDRJQHLLYRELR-CYBMUJFWSA-N 432.437 -0.210 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2F)n1 761714890 UDQWKEOAIIGKPB-UHFFFAOYSA-N 430.439 -0.215 50 20 IBGD CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765125020 MJNJFUPBKOESCF-GFCCVEGCSA-N 448.505 -0.043 50 20 IBGD Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725476 SLZCMCOTKOWRIB-UHFFFAOYSA-N 441.404 -0.620 50 20 IBGD Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765728481 RRXYEFDBJKLLJO-UHFFFAOYSA-N 432.462 -0.386 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)cc3cccnc23)n(C)c1=O 767354531 RXZOPUYEEXBLOF-UHFFFAOYSA-N 425.380 -0.418 50 20 IBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 772883992 GVPVIGYRKAVIIY-AWEZNQCLSA-N 437.865 -0.166 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)c(C)c1OC 797005731 TWHOFEMAEISOBC-SECBINFHSA-N 432.455 -0.956 50 20 IBGD O=C(NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCOCC1 804023362 FXKCAVKEAUUEMO-UHFFFAOYSA-N 429.524 -0.049 50 20 IBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320119584 CWXDNEYZJDWSNW-LLVKDONJSA-N 432.528 -0.652 50 20 IBGD CCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031732 XDTUIZHFXBMJDV-HXUWFJFHSA-N 427.465 -0.341 50 20 IBGD CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034727 UCJYNWWEGAKFAA-KXBFYZLASA-N 437.522 -0.757 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781759402 QTSAOEYCYRJYSW-QFIPXVFZSA-N 437.261 -0.777 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744939 IMELOZWJOGBPFV-MEDUHNTESA-N 434.287 -0.610 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786984046 LQBVQFFHUQRECP-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984252 VFRRRQLXMFKUJR-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1787508837 LIKGXMGUVLQQSD-HMEDOYGISA-N 428.453 -0.468 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc3cnccc13)C2)c1ccc(B(O)O)cc1 1795735309 YCDQXKOYMSNDFR-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD CC(C)(C)n1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737383 XQVFKBCGMPMAMS-HGKCTWBKSA-N 440.309 -0.165 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1796439611 QWDCUEPLZCCLMP-SQXPGEILSA-N 432.481 -0.779 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2cncc12 1797525533 MCKQBWLKIZPPDJ-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)cn2[nH]cnc(=O)c12 1802336295 JGLUCMIAGBNWGG-QDMKHBRRSA-N 443.508 -0.044 50 20 IBGD COCCOCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371780 ZWDVNEMYRODKCI-RXVVDRJESA-N 441.293 -0.256 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CN1 1809967770 LLBOTEHMPXGWJN-QGZVFWFLSA-N 427.310 -0.263 50 20 IBGD O=C(Cn1ccnn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340378 LPXASXIUGILSLV-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD Cc1nnc(CC(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)o1 1815354632 OAFNQYMGLBFICP-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD Cn1nncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355035 LZMYLSAVUHONMZ-GFCCVEGCSA-N 426.267 -0.509 50 20 IBGD O=C(Cn1nccn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052350 GXLURCLILVKXOG-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=CCCS1)CCO2 1831560854 RRDNUHZJSVAKBX-IBGZPJMESA-N 426.539 -0.163 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837701839 XOBLNIPWPKCVTI-FFSVYQOJSA-N 436.278 -0.176 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838252349 RZHAXZTVHIYSMQ-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840185344 LRPGGERCQXDRLH-HXUWFJFHSA-N 438.481 -0.785 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cnnn1 1840477917 UOUAZXCUWHUQOX-RHSMWYFYSA-N 426.550 -0.458 50 20 IBGD Cn1c(=O)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)nc2ccccc21 1843743634 MHRKMNXMFXKEMF-UHFFFAOYSA-N 446.272 -0.256 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845022948 KZDSJUOLIURVMA-UHFFFAOYSA-N 448.549 -0.532 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056740 WGNFNXYFLXSDHI-UHFFFAOYSA-N 448.530 -0.638 50 20 IBGD O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 18882326 QMJTYEZRNIASRV-UHFFFAOYSA-N 425.224 -0.215 50 20 IBGD O=C(COC(=O)CNC(=O)c1ccc(O)cc1)NNC(=O)[C@H]1COc2ccccc2O1 728344756 ZLDCVQICVBBNCP-MRXNPFEDSA-N 429.385 -0.347 50 20 IBGD O=C(NNC(=O)c1ccoc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764162967 GLZTTWNSVATUTK-MRXNPFEDSA-N 428.401 -0.306 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)[C@H]1Cc3ccccc3O1)CC2 764165316 WCJJNFACNZNIPT-QGZVFWFLSA-N 444.469 -0.365 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 768499254 KFOXCFRJXXTBIX-ZCFIWIBFSA-N 445.273 -0.396 50 20 IBGD CN(NC(=O)CN1CCS(=O)(=O)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776210958 CPSIFKRAJGKYPY-UHFFFAOYSA-N 433.531 -0.648 50 20 IBGD COc1cc(F)c(F)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 810271314 QSLSYINIMJJJIL-UHFFFAOYSA-N 437.363 -0.427 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccc(F)cc3)c2)CCN1 906495599 BDZGQFNHLAGMFP-UHFFFAOYSA-N 434.449 -0.050 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC 912947189 ZTNMYYSSZIOVQG-KGLIPLIRSA-N 439.490 -0.110 50 20 IBGD COc1cccc(C[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 919886836 VOZGAGSWPDFBNK-HIFRSBDPSA-N 437.482 -0.709 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1ccccc1=O 1779265441 PPDBIMJERKNFJP-OPAMFIHVSA-N 439.277 -0.767 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nn1C 1786978689 LNBVMGDQWLZYAO-VDGAXYAQSA-N 440.309 -0.756 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1790964419 PTGKKRSKSUDNMF-RVMXOQNASA-N 448.314 -0.317 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396539 DSAUQIRCDNNSNM-CYDGBPFRSA-N 428.283 -0.326 50 20 IBGD Cc1ccn2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cnc2c1 1795740647 JORRXJZZPFGKJU-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1[nH]nc2ncccc12 1796217141 NTYAETZHNQVIHK-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1ccccc1=O 1801011420 KPXDZWGFRMHXOK-IHSNIMORSA-N 433.509 -0.628 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361612 BSAUUEMDCRRAKC-VQIMIIECSA-N 445.306 -0.874 50 20 IBGD O=C(Cn1nccn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343933 YAXQYSAQGWOBJB-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720125 TVNVAQWLQAEZDX-LPHOPBHVSA-N 428.869 -0.173 50 20 IBGD O=C(CSc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722666 GSHGVUZQGFQBEV-SUMWQHHRSA-N 430.914 -0.375 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830731600 MUFGKWIEYSPMLW-QMTMVMCOSA-N 426.901 -0.062 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312982 OPLRUHVANNNZBA-BEFAXECRSA-N 433.933 -0.227 50 20 IBGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1834621928 YZXJLPCENXPKSB-IBGZPJMESA-N 444.020 -0.205 50 20 IBGD Cc1nc[nH]c1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799948 HSLUAEFBUHGSOK-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836903430 JWDANZUOHJGNTF-INIZCTEOSA-N 439.513 -0.534 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1837711947 XOLHQWKDSSYQHO-SFHVURJKSA-N 427.578 -0.866 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714892 RAPAFWFMBVAIOJ-HNAYVOBHSA-N 427.574 -0.085 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838622694 LCHKHRHSANQKJQ-YJBOKZPZSA-N 439.557 -0.919 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCCN3C(=O)CCC3=O)cc2)CC1 728215967 NAWFIEHFQONTNW-UHFFFAOYSA-N 437.522 -0.005 50 20 IBGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)COc3ccccc3O)cc2)CCN1 730822437 GICAGELKZXYLDI-UHFFFAOYSA-N 441.444 -0.126 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 742617769 AKERCUVZOSLBMQ-SRABZTEZSA-N 434.474 -0.267 50 20 IBGD COC(=O)c1cn(CC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nn1 747394101 YLJXRYCVLVRKMW-UHFFFAOYSA-N 425.446 -0.205 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2N)n1 750410694 GYTAOFBKLMVHQY-UHFFFAOYSA-N 426.476 -0.016 50 20 IBGD COc1ccc(Cl)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756222182 CEWZDSWWWQAGNJ-UHFFFAOYSA-N 435.828 -0.051 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2O1 763569897 CUMHDVCNPYHRGP-DLBZAZTESA-N 440.412 -0.486 50 20 IBGD O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763733309 GBSYCPHCHDFTTN-UHFFFAOYSA-N 439.476 -0.300 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCn2cnc3ccccc32)n(C)c1=O 766635485 IMADKDILQLMMGU-UHFFFAOYSA-N 438.448 -0.589 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc[n+]3[O-])CC2)cc1 766635898 INSKDRZOMJSSPO-UHFFFAOYSA-N 433.490 -0.604 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2ccc(O)c(F)c2)n(C)c1=O 787125113 DCCUVUJZSRZAOL-UHFFFAOYSA-N 432.412 -0.551 50 20 IBGD C[C@@H]1CC(=O)C[C@H](C(=O)NNC(=O)c2cccn2C)[C@H]1C(=O)NNC(=O)c1cccn1C 791124683 SCSWHVCDSWEWKB-IFIJOSMWSA-N 442.476 -0.183 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 806787260 DWOZTJFBIXAEDX-SNVBAGLBSA-N 425.916 -0.021 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 825649580 XOVHCRNRZXWKAV-UHFFFAOYSA-N 426.227 -0.021 50 20 IBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Cn3nc(C)cc3C)cc2S1(=O)=O 917391790 JSTVKORTYWSBTH-UHFFFAOYSA-N 435.462 -0.248 50 20 IBGD Cc1nc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1C 1318157725 JEERVAVHZXMQLL-UHFFFAOYSA-N 443.507 -0.627 50 20 IBGD Cn1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030633 FAJANKHVVBESTD-HXUWFJFHSA-N 427.465 -0.895 50 20 IBGD COc1ccnc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1779533127 PRWHGTCOZJOWGZ-NRFANRHFSA-N 425.250 -0.473 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781542451 GGLVTCUVMDDYMK-VEVIJQCQSA-N 433.889 -0.703 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788778565 RLIOZXDUUJAFLF-BFYSQQLMSA-N 434.331 -0.099 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2ccnn2c1 1790443260 WMNKLUNCAUWEPD-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978605 IKMNKIXDONFXST-AICCOOGYSA-N 449.932 -0.549 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2n[nH]cc2c1 1796147561 CQFWVTSTNMJRMI-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)n1 1798071824 YUPHYYCENGYYTD-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194554 MJDNWBWCHYPTPP-JFILPPLUSA-N 427.299 -0.136 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1806634191 PGDOYUNNABZAOH-XKGZKEIXSA-N 436.277 -0.640 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807057210 YWYAZDURNJSKDZ-AESZEHBQSA-N 425.917 -0.066 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807358979 BNFXPTDNTBWPSO-CGTJXYLNSA-N 431.685 -0.319 50 20 IBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnn1 1815348400 MGGRQGLHYIXZFD-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1826088389 FKPIJSCZUHAMST-SNVBAGLBSA-N 433.494 -0.175 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216109 GGKKSZUFWUQTSS-OAQYLSRUSA-N 427.461 -0.832 50 20 IBGD CC(C)N(C)CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800573 ODOFVAOELMPUFC-UHFFFAOYSA-N 444.385 -0.108 50 20 IBGD O=C(CCC(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935509 ICXXHNFJEIXKTA-GOSISDBHSA-N 444.215 -0.221 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459383 FCAPMOLIPAMQMH-QVKFZJNVSA-N 448.524 -0.905 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1839967397 LCWIPRWAYQCXBV-WWGRRREGSA-N 445.318 -0.136 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1840184602 WQBRVEYOGOPBOV-HXUWFJFHSA-N 439.488 -0.393 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840185888 VJOTYFWDLGJQRS-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3sccn13)C2 1846385357 VSPAIDXLPAYHEH-UHFFFAOYSA-N 432.506 -0.054 50 20 IBGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 14870847 YAYKRCUGPJNZLG-JTQLQIEISA-N 434.448 -0.996 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 732263086 ZXGFEPJBSQIBBD-GJZGRUSLSA-N 442.538 -0.128 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756791839 XQWAZMYTGQYUOI-YPMHNXCESA-N 440.478 -0.045 50 20 IBGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cn1 763745397 DTRGMHDRSOWGFN-UHFFFAOYSA-N 427.465 -0.490 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764423883 DFCHMUJXIKUJMK-SFHVURJKSA-N 431.493 -0.280 50 20 IBGD Cc1nc(NC2CC2)sc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 771045391 NRTDAAITLVQSAU-UHFFFAOYSA-N 432.466 -0.766 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 771971897 RCBQTGBCSKRFOI-NEPJUHHUSA-N 442.494 -0.456 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778438114 KUSXXZSOVUSUDV-UHFFFAOYSA-N 430.483 -0.103 50 20 IBGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919888924 HUZZPHDZLFTWIG-JKGQDXBKSA-N 429.499 -0.605 50 20 IBGD CN(CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 920426634 QTQJGMWTKDHUBL-SFHVURJKSA-N 437.566 -0.535 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779030808 IKANWIIHVJAGGP-QGZVFWFLSA-N 440.298 -0.086 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779032379 PBZULMBMEOCZBS-SFHVURJKSA-N 444.408 -0.926 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779250747 DDFJEABTEACWOP-VFNWGFHPSA-N 431.298 -0.885 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1780096729 GKORJLKNBUVFBO-IBGZPJMESA-N 448.436 -0.553 50 20 IBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781200739 PVYMOVLIKPSELY-AUUYWEPGSA-N 449.932 -0.043 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nn1C 1784242747 HXIBCIUKYNYFCG-SZMVWBNQSA-N 434.541 -0.376 50 20 IBGD O=C(COc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785143027 MHDUGEXCDVAUEG-VDGAXYAQSA-N 439.277 -0.566 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nc2ccccn2n1 1787260862 AXMSVBNWORTWCI-SZMVWBNQSA-N 449.276 -0.684 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788573016 NFFFAWUASXUJOG-MGHWNKPDSA-N 445.520 -0.149 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610042 YMUVYVXMVNLSCI-USJZOSNVSA-N 432.525 -0.381 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21)[C@@H](F)Br 1789926029 LGGZGKFWYIEIEX-BAYHKCFCSA-N 438.294 -0.693 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293344 XTRULAZQHGTPGI-OWSLCNJRSA-N 434.541 -0.128 50 20 IBGD COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734182 ICDDUHGXYJHFEN-ZSBFGKGUSA-N 429.238 -0.982 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccc3[nH]1)C2)c1cccc(B(O)O)c1 1795740541 GJBCIOTXQFLNMN-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797753107 SXJNAPQJXPPLLW-FQPOAREZSA-N 444.261 -0.421 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1807869246 ICFRJMIFVFARFI-CZUORRHYSA-N 435.448 -0.168 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478745 ZKSDYJTULIWZQV-PXAZEXFGSA-N 444.282 -0.061 50 20 IBGD C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1839809604 BGJZPVXPNIPTLG-QFIPXVFZSA-N 443.504 -0.578 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840182327 HCVJXGZMWKYEIM-HXUWFJFHSA-N 436.465 -0.708 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056521 FPSZYSWGLYSCLZ-UHFFFAOYSA-N 433.320 -0.956 50 20 IBGD C[S@](=O)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 745845025 MRPYWQAZFPABGM-NDEPHWFRSA-N 446.551 -0.651 50 20 IBGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 750277001 RLJOPUYXSFRKQN-AWEZNQCLSA-N 425.515 -0.553 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)Cc2cc[nH]n2)o1 755283915 FSCYNLDGZBCQMT-LBPRGKRZSA-N 439.450 -0.277 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNc2nccc(N3CCOCC3)n2)c1=O 762866202 DMYOQBKFADLXRS-UHFFFAOYSA-N 425.449 -0.047 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 763029452 DQTKHARZUZTYIL-ZBEGNZNMSA-N 432.458 -0.397 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 763808085 UPLXBZNDQNBVKN-OAHLLOKOSA-N 449.423 -0.072 50 20 IBGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 769558987 FRQHEBMXLXAWGH-LBPRGKRZSA-N 448.448 -0.237 50 20 IBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN(CCS(N)(=O)=O)CC1 799983114 VLFOYZCJRMHMOH-GFCCVEGCSA-N 433.918 -0.246 50 20 IBGD NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nc1Cl 805574232 YYXPEUUBHASFLW-CYBMUJFWSA-N 434.792 -0.022 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 895714388 BGIJBSIEAJZJQS-GFCCVEGCSA-N 431.540 -0.137 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 915142142 UWQCFIRKWRKTLB-LBPRGKRZSA-N 447.535 -0.079 50 20 IBGD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889615 QAGAZSKGTHDFCL-JTQLQIEISA-N 426.476 -0.478 50 20 IBGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212319 BBCKZXPZJVPBBM-JOHMGYAOSA-N 430.508 -0.516 50 20 IBGD Cc1nc(Cn2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)nn2)no1 1116830035 QQZLXTZBHJBGOJ-UHFFFAOYSA-N 434.276 -0.542 50 20 IBGD COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934188 BWSVOUNAOMLOJV-HXUWFJFHSA-N 436.513 -0.654 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nccc2nc[nH]c12 1787354880 CYEFNVAEFTUBIT-ZVZYQTTQSA-N 449.276 -0.455 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792183719 TVXWKGDCWJJBPD-LEAZDLGRSA-N 445.325 -0.736 50 20 IBGD CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1796632658 VGURZUTWPWPRKE-YWVIFJGQSA-N 442.480 -0.626 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)no1 1798508416 YACTVYJLTIUVIL-BJWYYQGGSA-N 440.265 -0.655 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1801011713 XDELVCHWLZDRTK-CCWDJLKJSA-N 429.481 -0.695 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801117702 HMHBSMSBVQMDEV-OVZMXSCWSA-N 428.283 -0.468 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474844 HMJBPJQHWIKPRJ-YVEFUNNKSA-N 427.270 -0.080 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1833993438 VESZFSSFJRFKLW-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837384712 FWVQOXOYMALUDE-AHIWAGSCSA-N 449.346 -0.066 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839956213 IRWLVFSTXQZEQE-MBOZVWFJSA-N 426.897 -0.354 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840150817 QUWUVMBSWQUTOC-KUHUBIRLSA-N 440.884 -0.496 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1840151319 YJDGRBXXPXXINY-APWZRJJASA-N 428.917 -0.019 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccn3c(O)nnc13)C2 1844264150 MJCIYTOPVZHJFT-UHFFFAOYSA-N 436.432 -0.436 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)cc1 744571426 LQSCBKRFOCNKLV-UHFFFAOYSA-N 434.405 -0.020 50 20 IBGD COc1ccccc1NC(=S)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 761660805 YKHYVIAAZNUKJX-UHFFFAOYSA-N 431.478 -0.150 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F 764226449 ISMGUTXWNVUFHG-LURJTMIESA-N 428.801 -0.035 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)n(C)c1=O 765569079 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1830736375 SHJUOGGBAVYRNT-DNVCBOLYSA-N 426.901 -0.422 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216087 GGKKSZUFWUQTSS-NRFANRHFSA-N 427.461 -0.832 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834466919 REAGZXAHKKUZCW-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)cc21 1834564647 GBIGUFCAUCTARP-KRWDZBQOSA-N 446.291 -0.500 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1836516663 GVTZDHPCCBSSDA-HOCLYGCPSA-N 441.909 -0.597 50 20 IBGD O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)NC1CC1 1837254442 BWQYBINQYHSKGO-MXTKCAFNSA-N 448.289 -0.032 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839155227 ORSWAOOTMIXBKC-ROUUACIJSA-N 448.303 -0.396 50 20 IBGD O=C(c1cc(CO)on1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201687 FWLJEZAWHQPLGG-IUODEOHRSA-N 436.234 -0.073 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840156605 WPOYSMOBXNSLJZ-KSSFIOAISA-N 434.921 -0.930 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321924 RUPHQVMUNNMDSA-BLLLJJGKSA-N 436.303 -0.028 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843357522 OFCCLVYJBGETRY-FOKLQQMPSA-N 427.421 -0.161 50 20 IBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845441204 MLYMCOMFIDDIAK-UNOMPAQXSA-N 437.261 -0.046 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC(C)C 729275375 OHVYJJXEDRTECM-SNVBAGLBSA-N 436.512 -0.919 50 20 IBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C 749351479 CLWDAAXVZVNQID-MRXNPFEDSA-N 441.554 -0.022 50 20 IBGD CCOC(=O)CNC(=O)C1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 749464079 QFNXRZLDZYVNNG-UHFFFAOYSA-N 425.511 -0.467 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c2ccccc2O1 763674025 KBKXKUJNAVXDFK-KRWDZBQOSA-N 437.412 -0.375 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 763680721 BACZUSQKCLXQAE-UHFFFAOYSA-N 432.437 -0.465 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)NCCN(C)C)CC2)cc1 764514219 LJQHYVDWWOBTIJ-UHFFFAOYSA-N 442.611 -0.642 50 20 IBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@@H]1CN2CCCN1CC2 764753578 YHLLUYNZPLQVOC-IBGZPJMESA-N 434.972 -0.005 50 20 IBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 765408768 KNQLLMVITDPRHG-UHFFFAOYSA-N 427.483 -0.271 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 766898681 FKNQOIDDWPXSPW-UHFFFAOYSA-N 435.506 -0.179 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 789941965 OIRJAUSRHMWDAG-IFXJQAMLSA-N 432.433 -0.411 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 919888314 CBKKSYFSJZXTMZ-DZGCQCFKSA-N 444.535 -0.253 50 20 IBGD O=C1NCc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc21 1778724086 XLVHUTZMOXAFHO-HSZRJFAPSA-N 449.272 -0.633 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783876106 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COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798577084 WQBTZGQTFVADAX-RMFSNUHRSA-N 449.272 -0.236 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799289044 NCCFVTYUICLNGT-NASWQRNTSA-N 448.432 -0.142 50 20 IBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)c(=O)nc1O 1799349709 BWAMXIJYAKUTHJ-LFSVMHDDSA-N 447.261 -0.463 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1801011736 ZLIKPXAKOSCHJH-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369332 GZBBNOABXAFNQH-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1814523989 XBMCBKWNJZXYKZ-YOEHRIQHSA-N 439.281 -0.078 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1830546972 YDSOAPMGPLTMKO-XJKCOSOUSA-N 445.318 -0.279 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831330724 VGWHKZXFMUCJIS-JKIFEVAISA-N 439.962 -0.212 50 20 IBGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1834408524 CLKGLPVIBPKFHP-HXUWFJFHSA-N 436.513 -0.654 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185470 MOZNMMNHHLZBCZ-HXUWFJFHSA-N 436.513 -0.530 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840244799 RTNDJGPUYKHXDK-MNEFBYGVSA-N 440.664 -0.639 50 20 IBGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 746552965 BJIUFALGOMTEAB-UHFFFAOYSA-N 433.446 -0.048 50 20 IBGD Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229638 BKMRBUOPYWMYFM-NSHDSACASA-N 436.450 -0.399 50 20 IBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 765756668 NIDJUAJDAURRMV-HNNXBMFYSA-N 436.900 -0.407 50 20 IBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCc2ccccc2C1 766639107 MGXWMCICFSRJLO-CYBMUJFWSA-N 439.476 -0.972 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 783999435 ODYFCQIZMOVODU-UHFFFAOYSA-N 439.354 -0.006 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514527 GAFOWCPUMIVUCH-ADLMAVQZSA-N 427.479 -0.070 50 20 IBGD COCCN1C[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1=O 914458157 GLLOMHCUBLZKTM-CQSZACIVSA-N 426.495 -0.742 50 20 IBGD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779032164 DRERRJZYBDJDFD-FQEVSTJZSA-N 428.449 -0.007 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784631580 CWQAZBTWTCBQPD-SPLOXXLWSA-N 441.492 -0.105 50 20 IBGD N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CCC1 1788610796 APPBIQMROIGKOQ-JQFCIGGWSA-N 426.477 -0.028 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790589335 AVKGPIBDQOUGRK-XUXIUFHCSA-N 428.873 -0.206 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](N)c3cccnc3)C[C@@H]21 1791289039 DPUUVAJTELBXNK-OKYOBFRVSA-N 446.552 -0.176 50 20 IBGD CC(C)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C(C)C 1795717800 AKKORKUEEQMCDI-JSJNYSNDSA-N 425.574 -0.028 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2)c1cccc(B(O)O)c1 1795738726 BHMJTNDBPGFXDF-CCWDJLKJSA-N 438.293 -0.515 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797973452 IXKKHGJSUMGVBR-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2ccnn2c1 1800024152 STWLESTZXYMFJV-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808935095 MBEPLOGPLGCLGV-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833285608 MAVOPFMWNAOBQH-FQEVSTJZSA-N 445.369 -0.041 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833542487 ZBFRLBNMFJVBGO-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833827851 WHBAYJAFDDGGHU-ACJLOTCBSA-N 428.873 -0.064 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837118447 YEIQPQHWPPJWFH-CABCVRRESA-N 444.916 -0.163 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182471 JSKVNXHSXCRGRF-HKUYNNGSSA-N 430.571 -0.230 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1840183471 GLBCTZNJTLMVDR-QFIPXVFZSA-N 448.520 -0.105 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188287 AUUBLKRYXSYZJO-BDJLRTHQSA-N 425.313 -0.046 50 20 IBGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CCN1 1840232350 UWCQNOCPGVQEQI-PVXIVEMSSA-N 436.278 -0.341 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840244274 AEDUTISPDNGHNO-AYOQOUSVSA-N 440.664 -0.639 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 743821665 UPYNEZHJGAXOIH-SRABZTEZSA-N 428.445 -0.058 50 20 IBGD CCOCCCNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755957573 WTMVOXBETDVOBJ-GFCCVEGCSA-N 429.499 -0.067 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756833933 CCEDXPFBINPSLE-UHFFFAOYSA-N 427.421 -0.155 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)c(O)c1 761070498 ANNVIZUXOMBGRS-LURJTMIESA-N 427.220 -0.305 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c2ccccc2O1 763674031 KBKXKUJNAVXDFK-QGZVFWFLSA-N 437.412 -0.375 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3C[C@]34CCOC4)CC2)cc1 763765233 ZNFWHWLMUXMIGA-XLIONFOSSA-N 436.534 -0.125 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766660475 MQKUTTMHBUOHAL-ZDUSSCGKSA-N 431.946 -0.457 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(-c2cccs2)[nH]n1 768262643 LAMYTWCOIGCWDP-WDEREUQCSA-N 437.503 -0.065 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 771928443 MNOIONSUDJDBJP-LLVKDONJSA-N 429.451 -0.385 50 20 IBGD COCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 779899021 INWJYSJYXFUUTC-AWEZNQCLSA-N 429.495 -0.400 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)no1 1786986693 ZDEWIUQDDNSZTI-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cc2n(n1)CCNC2=O 1794971643 XSEXGZLBNBQXRU-QHBPRCKVSA-N 440.298 -0.385 50 20 IBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1C 1794983381 FFUUOJVSBUBMDT-IZZQQSIFSA-N 439.277 -0.405 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCCC1)C2 1797750578 MGZUZPBCIPPVJB-CWPLJXCYSA-N 444.536 -0.236 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805965535 IFQALDSXEQIAGC-UHFFFAOYSA-N 436.339 -0.354 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823046445 MTXLZLKUOOCUSI-ZFWWWQNUSA-N 442.306 -0.331 50 20 IBGD C[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551446 OGGVLHDAVHPEMG-CKFHNAJUSA-N 449.932 -0.044 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835735778 KYLWVBRIJDGFQT-IGCXYCKISA-N 449.346 -0.933 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835846423 KISGVUJZELTWLU-GOSISDBHSA-N 440.526 -0.832 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1837456112 CNRXZJQQEAGNTP-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837599586 RDZPKGABNGOKEA-QVKFZJNVSA-N 449.508 -0.431 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741804 CCOMUEBDLIKSDL-FQEVSTJZSA-N 432.481 -0.671 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839434946 IPPIQEDOMJURAD-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839700209 JFONKQGRMBNBCV-ZESCBINXSA-N 438.550 -0.309 50 20 IBGD Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1C 1840182626 OOMMFPYYLPCXQQ-HXUWFJFHSA-N 437.497 -0.266 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1840183750 XNENXKITEFUSEV-NRFANRHFSA-N 449.508 -0.005 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840234087 TYIQTAWYKULQER-AHIWAGSCSA-N 432.315 -0.248 50 20 IBGD COCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846248779 PEWXNDDXXZEOPD-UHFFFAOYSA-N 449.508 -0.428 50 20 IBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)c1cnn[nH]1 729456546 ROFYUUYMVWKNFR-OAHLLOKOSA-N 438.466 -0.270 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)COCc3ccccc3)cc2)CCN1 737629384 ONRQSKBRMGFFFK-UHFFFAOYSA-N 446.485 -0.215 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 756751261 PVLRDGGRIGHMDG-SNVBAGLBSA-N 443.869 -0.255 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)n3cccn3)CC2)cc1 766635633 BHUXCMZEMAUIEQ-INIZCTEOSA-N 434.522 -0.094 50 20 IBGD CC(C)(O)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 768247854 OCJYGIHKXUUHLE-FWLQQBITSA-N 447.535 -0.702 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc1C 778430677 YCAPXABVSIELJL-NEPJUHHUSA-N 425.467 -0.560 50 20 IBGD COCC(=O)N1CCc2cc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)ccc21 778707032 FZSWKGDLXFCBBM-UHFFFAOYSA-N 428.449 -0.178 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816887377 YIYGDTMUWVURRN-KBPBESRZSA-N 449.512 -0.106 50 20 IBGD O=C(COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)[C@@H]1COc2ccccc2O1 914816086 FFSFPUHDPKVMIE-GWCFXTLKSA-N 445.350 -0.072 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 915189222 FASCBLVSJCAFHH-ZIAGYGMSSA-N 447.517 -0.218 50 20 IBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 919886433 SSVGWTIMKADXPZ-ZDUSSCGKSA-N 432.524 -0.511 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331520 RDSXXWXREAUFMC-JQWIXIFHSA-N 432.183 -0.768 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782402238 CIJBCEUAEYNPHG-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784629481 FIFZLVPWFOEMIR-VFNWGFHPSA-N 426.282 -0.424 50 20 IBGD CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726778 UUJRNECNLRJWMM-FHWLQOOXSA-N 445.520 -0.099 50 20 IBGD CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791308279 HJUCMVNVFSRHCB-VGWMRTNUSA-N 430.571 -0.547 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(O)CC3)[C@H]2C1 1791409767 VAJRJHDJVPLZRB-XXABDTRGSA-N 445.520 -0.171 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793474395 YVCYMNPUGIURMY-JLVBRIDZSA-N 425.530 -0.889 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737056 ZBADBTVXEPABAR-UPHUGPLXSA-N 440.309 -0.837 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2)c1cccc(B(O)O)c1 1795737192 BTQGDYOFULJPAE-XOIINTDNSA-N 430.657 -0.673 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798385424 JGOJHMNIPWGHCO-YIYPIFLZSA-N 431.497 -0.356 50 20 IBGD CC(C)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C(C)C 1801012940 GPBABQISSKTAPH-WOUAJJJCSA-N 425.574 -0.028 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810817659 MDUGWNQQPYRLKN-QGZVFWFLSA-N 430.314 -0.342 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817475771 STWSJEJOAVTLLC-CJNGLKHVSA-N 425.254 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3ccnc3)CC2)CC1 1834267220 MUWRNCQFDQURKS-UHFFFAOYSA-N 433.557 -0.172 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835840056 AFCBDJJBSDWCEN-SJORKVTESA-N 432.949 -0.691 50 20 IBGD Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838394858 BSTNLWNQJDGGBG-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839655953 YZFVPZHOWHQPMR-CXAGYDPISA-N 436.962 -0.819 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840182812 VJIFIQCFKBVBJU-QFIPXVFZSA-N 447.536 -0.238 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 727098015 DSYKHALQXJKEEA-UHFFFAOYSA-N 437.258 -0.447 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n1 751619984 HKZFSMWAGPSPHK-UHFFFAOYSA-N 439.475 -0.818 50 20 IBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753947510 FPIXBESQXBLPPR-HUUCEWRRSA-N 442.542 -0.162 50 20 IBGD CCCCc1nnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 755420716 BLBFFPDZVDMFFW-UHFFFAOYSA-N 435.470 -0.519 50 20 IBGD CCc1ncc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 763734174 HGJCZNNFCXHFRZ-UHFFFAOYSA-N 434.478 -0.246 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)n1 763890648 DNKCBBZGVBHJDV-UHFFFAOYSA-N 440.457 -0.325 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=S)NCCS(C)(=O)=O)CC2)cc1 764519613 SGLKRRSKUBNAAF-UHFFFAOYSA-N 427.596 -0.347 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 793783387 MLGHPXVZVSLKEH-KRWDZBQOSA-N 427.458 -0.726 50 20 IBGD COCCNC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 915879329 VHPFKDBWSSEUEP-CQSZACIVSA-N 444.510 -0.071 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1780098979 MZWMFBNQNALCLX-LJQANCHMSA-N 449.420 -0.368 50 20 IBGD O=C(CCc1cc(F)ccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794025748 VHFVEKHTEXMBOL-VPTLXERWSA-N 441.268 -0.264 50 20 IBGD Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)c1cccc(B(O)O)c1)CCC2 1795741269 QMYIEXSSWXVPFG-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD O=C(COCCO)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808600076 JVAUMPRVDREGKG-PXNSSMCTSA-N 427.266 -0.910 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1830537787 ORWVPLFDKZXNOO-BLLLJJGKSA-N 430.303 -0.084 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831576766 QITHQHMFYSUVHB-BFQNTYOBSA-N 434.287 -0.275 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3)CCO2)C1 1834015520 FBXHKWKPSBKLBG-OAQYLSRUSA-N 440.460 -0.536 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834471344 WINHCIWGWVUDTB-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834653712 ARWCBHRSCLVCST-UHFFFAOYSA-N 447.370 -0.822 50 20 IBGD O=C1CC(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1834800254 AJIHFLKFJKPGFY-UHFFFAOYSA-N 427.310 -0.469 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1835935649 XCRCFBAEFDGYCS-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939741 ZFCSGRAWIWHJEP-HRAATJIYSA-N 447.297 -0.763 50 20 IBGD O=C([C@H](O)N1CCOCC1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717141 KEYMGYYOPLMDCN-LPHOPBHVSA-N 433.933 -0.765 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839155074 HUPKCDRGBIZZTM-MSOLQXFVSA-N 447.319 -0.064 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197986 ONXQFQMPRBGHMC-CZUORRHYSA-N 448.245 -0.154 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840132121 AHISFGHHIMIMFV-QRWLVFNGSA-N 426.514 -0.569 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840575737 PNPZYUSCYTUJPY-YLJYHZDGSA-N 434.323 -0.668 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1OC 108182940 ANCSRQVRNMZCCD-CYBMUJFWSA-N 428.511 -0.274 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Br 728510348 XJOVHAMAVCBGPU-SSDOTTSWSA-N 430.302 -0.295 50 20 IBGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)Nc1ccccn1 758835367 ZCTBYQVJIKASPA-ZDUSSCGKSA-N 425.401 -0.008 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763572275 QFQMMIHQCKRKCE-OAHLLOKOSA-N 434.430 -0.479 50 20 IBGD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 785990440 HCILGJCCDWHJFM-LLVKDONJSA-N 439.494 -0.842 50 20 IBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(=O)c1 790466126 KZHZUQLDRZZGRB-LJQANCHMSA-N 436.490 -0.381 50 20 IBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 792969917 DSSKQKCHIQAJTG-VLIAUNLRSA-N 446.464 -0.036 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786983642 YZRUIVOKPDVHRJ-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786986601 OWRZJXHEVWMPFX-HBWIIKTASA-N 436.277 -0.537 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1C[C@H]2CC[C@@H]1O2 1791088886 BUHGMCJXFBJPTL-CHZZJNJQSA-N 428.294 -0.473 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br)N1CCN(C)CC1 1800760099 ZYIIWSCYCFPCFC-DGADGQDISA-N 431.375 -0.005 50 20 IBGD CN[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C(=O)O 1809967099 UGBIFMVNGVGGTJ-KRWDZBQOSA-N 431.298 -0.726 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1813034460 MISHRXSBHJRTJX-LNLFQRSKSA-N 442.944 -0.372 50 20 IBGD O=C(CN1CCCC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814594578 YOAFPBBJBBLEQW-AWEZNQCLSA-N 442.306 -0.329 50 20 IBGD CN(C)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830725521 PDMVQHRRWYZNRQ-LPHOPBHVSA-N 426.901 -0.183 50 20 IBGD C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833464817 VSBZYYCXQUAGSG-QGZVFWFLSA-N 441.337 -0.410 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835592578 QLUDAHDNCLARAC-OXTHUFEASA-N 448.524 -0.872 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1835926546 RBPVUXFJJOXOLM-VGOFRKELSA-N 428.294 -0.207 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535968 FZIPVOOJQXMAJI-HNAYVOBHSA-N 427.885 -0.291 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839963364 INOOWTVSMMVXAK-XNJGSVPQSA-N 432.315 -0.105 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840322270 SEVNFFMQDKHCBI-SMDDNHRTSA-N 426.239 -0.511 50 20 IBGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 729053869 TXESACNGADSRQG-KRWDZBQOSA-N 446.556 -0.034 50 20 IBGD NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)c2)C1 731119173 YNHGWVYJYGMYQV-KRWDZBQOSA-N 430.509 -0.163 50 20 IBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686237 LIGZFTJUHIFROI-OAHLLOKOSA-N 436.469 -0.290 50 20 IBGD O=C(CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NNC(=O)c1ccccc1Cl 735493446 PXEREXXREJRAHW-CABCVRRESA-N 430.914 -0.812 50 20 IBGD CN(NC(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758781380 ACHMFMQGWGYZAH-UHFFFAOYSA-N 426.474 -0.046 50 20 IBGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 764199781 UVAFQCUJXZFZCR-UHFFFAOYSA-N 439.494 -0.671 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)/C=C/COC)c(=O)n2Cc1ccccc1 791310724 GZTXEOWSHGKRKV-JXMROGBWSA-N 440.460 -0.222 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 812726910 MFPRWGPTROQDRV-MUIFIZLQSA-N 436.490 -0.068 50 20 IBGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1OC 816881803 PMUUSESGVMHTFP-GFCCVEGCSA-N 437.478 -0.131 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 914605577 IVYSITHHTKEJRB-LBPRGKRZSA-N 433.483 -0.194 50 20 IBGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 917926411 XTHWDEXJDZLECA-UHFFFAOYSA-N 432.400 -0.305 50 20 IBGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034726 UCJYNWWEGAKFAA-HNAYVOBHSA-N 437.522 -0.757 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1781997242 MFIJPJLQOXCTMW-PSTGCABASA-N 445.314 -0.165 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783396301 LBRRFHVTVUREDS-NRFANRHFSA-N 447.297 -0.665 50 20 IBGD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784021643 RTTHDYVSPLSESC-OSMBCOQSSA-N 433.509 -0.315 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056018 LXPWGAUBFNJVMC-RCXZEQIESA-N 434.331 -0.099 50 20 IBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1795111306 BPHDEBJGHFFVRT-DPIQGUFMSA-N 428.283 -0.324 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2)c1ccc(B(O)O)cc1 1795732660 IGDRPROTBYRNRL-FAQVEIGNSA-N 448.288 -0.540 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1[C@H]3COC[C@H]31)CC2)c1cccc(B(O)O)c1 1815361376 BJFIDLPFBCLSAS-SZOQZIPDSA-N 427.291 -0.059 50 20 IBGD O=C(CN1CCOCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817147383 MWGNUPJCIKUWCB-SFHVURJKSA-N 441.297 -0.272 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1)[C@H](O)CCl 1833312216 LLQPXTDFORCYJD-CVEARBPZSA-N 435.974 -0.265 50 20 IBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835244843 GTKJNLOCCOOVLW-HIFRSBDPSA-N 427.267 -0.204 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1835927115 GMYQCRCBFQEVOI-FQEVSTJZSA-N 448.281 -0.049 50 20 IBGD Cc1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929495 RKCXTWGPLLYPRE-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD COC(OC)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1836790354 DXCLZFHOXKANMC-UHFFFAOYSA-N 449.508 -0.084 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)o1 1837448178 CQSJFGQHXFPJOP-SCLBCKFNSA-N 429.857 -0.092 50 20 IBGD CN(C)CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837687767 IKFBTUKCLFWOKL-UHFFFAOYSA-N 432.525 -0.141 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839151971 JPWWWQTVMLSLKV-LSDHHAIUSA-N 431.338 -0.276 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cncn1 1839203508 NIOMPICDIUBWIY-LALPHHSUSA-N 434.266 -0.014 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1840183665 SDFFOSNRGTYRDQ-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 749551836 QEBUWKHWVWSGLQ-XOUADPBQSA-N 434.405 -0.219 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(F)c(F)c2F)n(C)c1=O 755371922 NVEYISPGVMFAOE-UHFFFAOYSA-N 425.327 -0.296 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1N1CCCS1(=O)=O 756704230 ILXFDKSLYLIOCA-LLVKDONJSA-N 433.512 -0.375 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1C 763575194 QZZVFAMTNAXRNW-OAHLLOKOSA-N 448.457 -0.171 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cnn(C)c1 764360238 VNQPLMWAZNQNMB-UHFFFAOYSA-N 448.505 -0.199 50 20 IBGD Cc1cc(C)n2nc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nc2n1 794973375 HFZVSCAJHCHNIS-AWEZNQCLSA-N 426.389 -0.115 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779223788 YHRCZRRMXMZGQR-JLTOFOAXSA-N 442.480 -0.944 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780074028 AUOHENIZIMVCKC-NRFANRHFSA-N 427.266 -0.402 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783500568 ZHGOXNBPCIQHRY-ULQDDVLXSA-N 441.598 -0.612 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1783934873 IZUBZJPZVKWTAB-FQEVSTJZSA-N 435.529 -0.150 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785442447 DIEJORUXHLPCKS-GHTZIAJQSA-N 431.298 -0.885 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 1788610543 FDXXACWOCMVJAO-WBAXXEDZSA-N 431.493 -0.295 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801337284 SVMMADAOFPAALR-RMRDIRSESA-N 426.282 -0.664 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1ccc(B(O)O)cc1 1804333161 CIKIYEQEUZJJKW-QDMKHBRRSA-N 447.347 -0.522 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805965528 HQHQHPLEEFOOIJ-UHFFFAOYSA-N 436.339 -0.354 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1830537442 INHCIZYUOJXLRF-DCGLDWPTSA-N 449.346 -0.933 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccns1)CCO2 1833779239 RDKMGMBHZWIOIU-GOSISDBHSA-N 425.511 -0.414 50 20 IBGD Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1834288185 NIJWNMHJRWUHRY-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD O=C(c1ccnnc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838375536 CUZUBGKQIOZVIH-XHDPSFHLSA-N 433.234 -0.057 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839966221 YFRNHUHORBHJKB-AYMQEEERSA-N 434.331 -0.661 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840183956 JZKRJXODMOCHAN-FQEVSTJZSA-N 436.513 -0.585 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840185257 HTJQGSKYQPUGAK-XZEIMLRBSA-N 449.508 -0.472 50 20 IBGD N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1840812825 NGBAESIAGRRASO-NRFANRHFSA-N 427.266 -0.870 50 20 IBGD CCn1nc(C(=O)NNC(=O)NCCCN2CCCS2(=O)=O)c2ccccc2c1=O 726277158 XGKLYKSOOQBRNQ-UHFFFAOYSA-N 436.494 -0.214 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 763824644 QFLBQMJWTWDDBV-UHFFFAOYSA-N 436.428 -0.969 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1 763882876 XHMUXOQNMIBNOR-UHFFFAOYSA-N 436.494 -0.027 50 20 IBGD CCCn1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 766562485 DTLYLDBMVUOSCN-UHFFFAOYSA-N 449.537 -0.236 50 20 IBGD O=C(NNC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12)C(=O)NC1CC1 809969563 WABHZYILSDRWNA-NVTXSZTESA-N 448.479 -0.108 50 20 IBGD CN(C)C(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919923320 FSOKPLYSHMVCBH-UHFFFAOYSA-N 441.510 -0.480 50 20 IBGD CCn1c(S)nc2cc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c1=O 1317993403 DRWQAELGUZPBFL-JTQLQIEISA-N 425.492 -0.164 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374183 IXPAQJBWZYYFPF-KPFBPEDLSA-N 446.508 -0.663 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782170813 ZHWMRODWKQFFPB-MBOZVWFJSA-N 438.717 -0.252 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21 1788610604 KMPRWJDGHPAFOB-IWEFOYFVSA-N 441.444 -0.455 50 20 IBGD CC(C)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610804 VLOBAEHFELITSK-WBAXXEDZSA-N 432.525 -0.334 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccnc(Cl)n1 1788873869 BEHJEUNFPFKPGX-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1791289268 QZQXWWVWEOTMHX-PYWIUJKZSA-N 432.525 -0.566 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793085651 CJHYSGWHURZUTJ-AICCOOGYSA-N 449.932 -0.549 50 20 IBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835940 VUSPRNRBQOYRAP-IVSAIRAKSA-N 435.974 -0.286 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2ccccc12 1796840268 DHOIOLCHTQAPDV-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2 1797748549 HFGDVJNIQFFBGD-RXJUEWQTSA-N 445.520 -0.313 50 20 IBGD CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751867 WMKDLVSCUKEADT-CWXDICMYSA-N 437.522 -0.953 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803666807 ZLVZDCNKCOHFDJ-LIVBEALHSA-N 438.293 -0.408 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831014808 VWVCFRWWKQHQEZ-MRXNPFEDSA-N 434.287 -0.320 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1831416734 RVBAVURZHJQTRT-PKOBYXMFSA-N 427.310 -0.264 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1835929508 SBADMDJQEHZPBJ-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460535 HDGBXHBNICMKIG-BTYIYWSLSA-N 431.493 -0.033 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839228570 IIYJWUQTZUSROI-JXFKEZNVSA-N 441.529 -0.383 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359650 PSQJSSBDDDPXFX-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)C(=O)c1ccccc1 1847728161 ZNKHBWMDAKCGJM-PMACEKPBSA-N 435.289 -0.046 50 20 IBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 731902994 YAXGPPBLTGXOGZ-CQSZACIVSA-N 433.508 -0.549 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cnn(-c2ccccc2)c1 733171486 OKMNNRAVMUAIRK-BBRMVZONSA-N 431.474 -0.331 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)N2CCOCC2)o1 745986396 RNYCQWDVWIGWKR-LBPRGKRZSA-N 444.466 -0.318 50 20 IBGD CC[C@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)N1CCOCC1 753047219 PIAQUTFNBABILK-LBPRGKRZSA-N 426.499 -0.439 50 20 IBGD CCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 756143330 LSBDAOJSQHLUMF-UHFFFAOYSA-N 433.400 -0.176 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 762476030 XWTPECIDDZQWLB-ZCFIWIBFSA-N 444.285 -0.606 50 20 IBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766663796 OABFQJLCUITHNV-UHFFFAOYSA-N 435.872 -0.298 50 20 IBGD CSCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 769770040 YEGAFDMULSIZNG-UHFFFAOYSA-N 431.565 -0.721 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 772135406 KVYFILXTYJDVNV-QWRGUYRKSA-N 426.451 -0.824 50 20 IBGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCS1(=O)=O 773184000 IYJOOTVTHMAZNS-HNNXBMFYSA-N 442.450 -0.041 50 20 IBGD Cn1cnnc1COCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 815827519 CYLWDKOXGGZTRD-UHFFFAOYSA-N 435.916 -0.050 50 20 IBGD CC(=O)Nc1cccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 913931614 PTHNVMULYJKNGZ-UHFFFAOYSA-N 444.477 -0.590 50 20 IBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1cnn[nH]1)N(S(C)(=O)=O)CC2 918318885 AVJNPUXKUOTDGK-ZDUSSCGKSA-N 438.466 -0.468 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1777742486 RPNBZAIKJYPHGX-OXQOHEQNSA-N 427.270 -0.766 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1782172081 NLMCCYLETBQJTE-SNUQEOBHSA-N 430.889 -0.694 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784954410 SYAPFDLCGHXSOU-RHYQMDGZSA-N 431.287 -0.699 50 20 IBGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785867262 SUVBQUMERQBYQF-DZKIICNBSA-N 436.513 -0.605 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788630592 WBTGUZKGGSXCBM-QAETUUGQSA-N 447.540 -0.370 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796430509 YNAUQWURKWEZHE-PQCBQTOFSA-N 432.930 -0.368 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799352044 JKJJRRLTJIIEHF-IDVPMLIHSA-N 425.251 -0.118 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2 1801011594 PYOCTLMGYYJXLM-YVWYUNDQSA-N 432.525 -0.204 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831597904 MXZBWXCKIAQZLK-AHIWAGSCSA-N 434.331 -0.015 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537602 SIUPTVMSHINCGE-CJNGLKHVSA-N 441.849 -0.425 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835566064 UDIHURJUTQNXAM-VUCTXSBTSA-N 439.340 -0.728 50 20 IBGD O=C(Cc1cccs1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836086218 BTIYZPIBRDUMEQ-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD O=C(C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C1CC1 1836685785 HRVWKVCXKJXFIF-UHFFFAOYSA-N 428.294 -0.042 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839228573 IIYJWUQTZUSROI-UZLBHIALSA-N 441.529 -0.383 50 20 IBGD O=C(NCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1cccs1 1843010732 WRWVSJSQEUYRHP-UHFFFAOYSA-N 427.291 -0.325 50 20 IBGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 28810540 AYDGXHPXBUUKFU-VIFPVBQESA-N 434.448 -0.996 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742477794 TXYFRIQLUBMFHE-TWKYDXJASA-N 425.445 -0.092 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1 745354347 UMIBIEFIQHJMHR-SNVBAGLBSA-N 443.507 -0.230 50 20 IBGD Cn1ncnc1COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 746592145 VFKZFNHKFDHXAT-UHFFFAOYSA-N 434.434 -0.273 50 20 IBGD COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 758374240 PMSXSLZLIJXPQG-LLVKDONJSA-N 435.462 -0.338 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767462601 PSCUJRSYKLSTQO-WDEREUQCSA-N 439.487 -0.512 50 20 IBGD CC(C)(O)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 768247829 OCJYGIHKXUUHLE-BRADTZPFSA-N 447.535 -0.702 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 787857102 CEUULAIBPOXQFE-OLZOCXBDSA-N 435.485 -0.520 50 20 IBGD CC(=O)N1CC(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 788423629 MWLYJFZCDAWAOQ-UHFFFAOYSA-N 438.506 -0.734 50 20 IBGD Cn1ncc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1I 1326248501 OSNZTPNPCDTKTH-ZCFIWIBFSA-N 427.224 -0.844 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778691446 AWXOLLDWZUJALM-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782277434 KFFNLIXPUYVSLP-OAQYLSRUSA-N 440.265 -0.897 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785442052 AWDSHJWATIKBKG-NQIIRXRSSA-N 431.298 -0.885 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21)c1cccc(B(O)O)c1 1786982744 AFLMTDIWQFQGOO-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786984498 MSCXKDJRLFVXPE-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD CN(C)NC(=O)CCC(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791328773 MEJRQXAWDGWVOI-UHFFFAOYSA-N 449.552 -0.220 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnnc2ccccc12 1796888368 ROBVYYGFGHWGDQ-VPTLXERWSA-N 446.272 -0.173 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c[nH]c2cnccc12 1797564649 MQGVVJDZXZTXOU-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1cccnc1 1832728292 IKEGNWYILVOFIS-YJBOKZPZSA-N 428.848 -0.198 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cs1 1834455002 SVNKYBMDDHIQPZ-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1835940013 SOSHYZNONHQGPI-YLJYHZDGSA-N 434.323 -0.668 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1840184324 ZZVORVVQLGAJBL-QFIPXVFZSA-N 447.536 -0.156 50 20 IBGD COc1cc(C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 18994878 RTCDDLQAVSDZJK-UHFFFAOYSA-N 445.475 -0.017 50 20 IBGD COCCN1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 739035393 OAVKSCLMMGGBAQ-HNNXBMFYSA-N 441.558 -0.636 50 20 IBGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756257988 OWZBJOLRKYCPJE-NSHDSACASA-N 443.482 -0.742 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 758029049 ITIRFWFRLHEDBJ-LBPRGKRZSA-N 448.567 -0.262 50 20 IBGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)cc1 758055136 PQVTUBRVJTUIBR-GFCCVEGCSA-N 428.492 -0.268 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 763647947 SWHMQAMXQBHRTL-UHFFFAOYSA-N 440.416 -0.256 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764434427 QBSJDPZQPKKPGJ-CQSZACIVSA-N 428.467 -0.783 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cnc2n(C)c1=O 765311292 SKTYQMASVDDCMC-UHFFFAOYSA-N 434.453 -0.302 50 20 IBGD CN(C)N(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 766248074 JMSNOMKUFYPKTB-ZDUSSCGKSA-N 428.536 -0.002 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCc2ccccc2C1 766639109 MGXWMCICFSRJLO-ZDUSSCGKSA-N 439.476 -0.972 50 20 IBGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 782701852 DHKUZAARMZOAJJ-LJQANCHMSA-N 437.500 -0.035 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3COC(C)(C)O3)nc2)CC1 783274151 OGSSRTOUMFAZFW-CYBMUJFWSA-N 428.515 -0.205 50 20 IBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1nc2ccccn2n1 790176091 MNGILBNPTHYZQT-UHFFFAOYSA-N 445.509 -0.098 50 20 IBGD COc1nnccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 808904182 QIFKPRFZEBICBB-UHFFFAOYSA-N 436.450 -0.027 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccs2)c1 810308795 JXZVCEXHXSTWKY-UHFFFAOYSA-N 438.487 -0.194 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 873774011 BQGLIOKLVMPTGC-UHFFFAOYSA-N 431.430 -0.459 50 20 IBGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1780702473 ILBLLQVTEMAVOV-AEDCBLDQSA-N 437.888 -0.043 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783342979 LKKSDKAFIXVGJQ-BDJLRTHQSA-N 431.287 -0.458 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784610968 DMUCSNVFXCFNAI-NRFANRHFSA-N 440.460 -0.650 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784949146 RXXQYLIRTBENLL-CYDGBPFRSA-N 445.314 -0.451 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785629331 FYABVEVKKFKXMT-LJQANCHMSA-N 449.420 -0.368 50 20 IBGD Cc1onc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1C 1786980110 JZJUJRYJWHKBLX-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21)c1cccc(B(O)O)c1 1786983573 YDFUYTQMQVIRKZ-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1794294838 UFTXJRUULOXOFI-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795662065 TXHVHSSXMKVFQR-WDAIWFPHSA-N 431.478 -0.759 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804347624 GWPZPHBRWFSZPY-CTASWTNQSA-N 437.884 -0.061 50 20 IBGD C[C@H](CN)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302118 FWTBHZCOZFSYND-XUWXXGDYSA-N 425.493 -0.006 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335582 FXLUHDAONQMDIA-SMDDNHRTSA-N 444.322 -0.037 50 20 IBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1ccnn1 1815360117 MUHSZLCCLQOYHP-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD O=C(O)CSCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361904 TZQJPQMMNGNQPB-LBPRGKRZSA-N 449.319 -0.134 50 20 IBGD Cc1ncc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)[nH]1 1834799884 KTXPGHJFRCCQEP-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnsn3)CC2)CC1)c1cccc(B(O)O)c1 1834800021 QDPLHZYJJFWTIQ-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927888 ZRVHVHSIISKDEU-KKSFZXQISA-N 432.282 -0.973 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199876 XOAMHYKFXFLZNC-RWSFTLGLSA-N 439.282 -0.420 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840154805 HGTXZSNSYALQAV-GUYCJALGSA-N 436.962 -0.819 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1840444222 GVDDLJUCIPZEKB-OXQOHEQNSA-N 436.513 -0.727 50 20 IBGD Cn1nc(SCC(=O)N/N=C2/C(=O)Nc3cc4c(cc32)OCCCO4)c(=O)n(C)c1=O 18888646 DLWQYRCCEDUWJL-UHFFFAOYSA-N 446.445 -0.795 50 20 IBGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 23787534 UFFHBVMVVHTMJS-UHFFFAOYSA-N 431.434 -0.081 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2cnn(C)c2)o1 735446098 WISRKLQRSTVCLK-GFCCVEGCSA-N 439.450 -0.196 50 20 IBGD CN(C)N(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 737484452 UASWIFUKEMHSMY-ZDUSSCGKSA-N 434.496 -0.292 50 20 IBGD O=C(NCc1nnnn1C1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745909960 PASZBTWAURLPJR-UHFFFAOYSA-N 434.482 -0.063 50 20 IBGD CCCCn1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1CC 760450337 UCUUZUSVMKTFTD-UHFFFAOYSA-N 430.469 -0.546 50 20 IBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1C 763824233 LZWWUJNHLCURQC-UHFFFAOYSA-N 433.490 -0.056 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cc2)c1=O 763840643 VXYOAJCBVUQPLT-UHFFFAOYSA-N 428.380 -0.125 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 764225558 AADJFQJDFGKMGM-LLVKDONJSA-N 445.461 -0.556 50 20 IBGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)C3CC3)CC2)cc1 764514255 MNFDABZCIUDWOY-UHFFFAOYSA-N 438.506 -0.134 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CC2)cc1 766647286 CVOIOFRVLPZDBC-UHFFFAOYSA-N 438.492 -0.655 50 20 IBGD CSc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1[N+](=O)[O-] 777168397 YYMSZOGQTWOWJZ-UHFFFAOYSA-N 447.433 -0.475 50 20 IBGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806976653 JWSYBKNVIRHFIK-UONOGXRCSA-N 425.445 -0.178 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806979033 PZSAGKVISWBHGB-HZPDHXFCSA-N 437.456 -0.193 50 20 IBGD Nc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnn1-c1ccccn1 815307650 SYBXQHOGWCKEBK-OAHLLOKOSA-N 438.400 -0.006 50 20 IBGD O=C(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)[C@@H]1COc2ccccc2O1 914816090 FFSFPUHDPKVMIE-MFKMUULPSA-N 445.350 -0.072 50 20 IBGD CC(C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371106 DELKDRWSTJFTRS-CBGDNZLLSA-N 433.509 -0.171 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978617 DOIGRUNATYJFJR-CBVHJVASSA-N 428.250 -0.714 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nn1C 1786981022 MSYDIXOBHSOQTJ-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC=CO3)[C@H]2C1 1788581860 YIPVMEPIURBFRM-MGHWNKPDSA-N 429.477 -0.029 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1788764954 PQLDDEBSZIBBHI-IHRRRGAJSA-N 437.506 -0.458 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790589332 AVKGPIBDQOUGRK-FQUUOJAGSA-N 428.873 -0.206 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291028 HRTFXKZSUBMHSY-VGWMRTNUSA-N 440.545 -0.953 50 20 IBGD CO[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795734455 IKAHLILUGZPCNU-KOUHRCEDSA-N 438.289 -0.043 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cccc(B(O)O)c1 1795740208 FCEPWVFUGVLNMI-WSOVOLMPSA-N 425.250 -0.718 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C(C)(C)C)nn1)C2 1801011810 GYQWCYJERJNVHZ-ZSBFGKGUSA-N 435.529 -0.391 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807119967 XNEXUAXPTLPKPX-UZLBHIALSA-N 444.540 -0.700 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821969874 VFVRFPWJQTZSDL-PXAZEXFGSA-N 427.270 -0.080 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830728187 QCIHVNBERAKXTA-ACJLOTCBSA-N 444.872 -0.632 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834255554 PTIFBGMVFASSAI-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214559 RCFOJPDYRNXHKQ-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839962603 LJWUZTHLKLZHAK-MQIPJXDCSA-N 434.287 -0.275 50 20 IBGD CCn1c(CCC(=O)NNC(=O)c2cnn[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 729456571 TXIQUZQFEDICRD-UHFFFAOYSA-N 434.482 -0.182 50 20 IBGD COc1ccc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c(OC)c1 729963592 KTMDENVTLDVYEL-UHFFFAOYSA-N 435.418 -0.325 50 20 IBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 761122255 UHEHNBUACVSXKE-UHFFFAOYSA-N 446.551 -0.048 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2)c1=O 763674905 QFPVTMSWOYQZLR-UHFFFAOYSA-N 435.400 -0.392 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)n1 763890537 BKKJZWPOEJFYFI-UHFFFAOYSA-N 426.433 -0.065 50 20 IBGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1F 764423985 FBUZMKVDULKZRX-LBPRGKRZSA-N 446.457 -0.596 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)[C@H](C)O)cc1 779507941 APDWPBKJHDKTQU-LRDDRELGSA-N 438.462 -0.807 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)[C@H](C)O)cc1 779526456 AJUHRFMDBGTPSM-WFASDCNBSA-N 435.462 -0.796 50 20 IBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1Cl 788491078 JILOUZKWQAPXFW-ZCFIWIBFSA-N 433.917 -0.256 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1OC 790686891 QGFDVAJWOMHIRV-FQEVSTJZSA-N 433.417 -0.379 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1778109725 ZYJRYYDPIVQQPA-LUQKVYGDSA-N 439.557 -0.260 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1779030236 LEYXVRQCEWQKHQ-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782572460 XDHMMNJDGRLOSY-FQEVSTJZSA-N 447.471 -0.315 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCOC1 1783213915 RMDGEQLVHLAMDE-SFGWALBWSA-N 430.310 -0.080 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984809 LTFQHEMMXFWCBQ-QRFRQXIXSA-N 441.293 -0.252 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccn2ccnc2c1 1788356834 HIXCZNCNLMMRTH-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607833 MRLMHBKMHZKZHJ-OQUILHJVSA-N 446.508 -0.807 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439770 GHQDNGWETPAZQS-BNHNOLAQSA-N 426.477 -0.205 50 20 IBGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801009414 GSOMMGUVINVBDW-HBCWATKFSA-N 434.497 -0.549 50 20 IBGD C[C@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815295076 ZDPAQLBMNDUEAV-MLGOLLRUSA-N 427.270 -0.093 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732195 VXVLHHWVXDTGNS-QMTHXVAHSA-N 432.779 -0.852 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831987014 BLBRRFMTOGMVBX-KRWDZBQOSA-N 447.536 -0.096 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1835931324 MRGUJBHVGCNRFE-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1835934073 MBKUXSPHNXDBCU-RXVVDRJESA-N 432.282 -0.995 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837595718 WCZUBUJTYMWNBS-HRAATJIYSA-N 434.298 -0.750 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1ccc3ncnn3c1)C2 1844264844 OLFBHQATUZQGIK-UHFFFAOYSA-N 434.460 -0.213 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1844264971 FPLRIACQPMLIBS-UHFFFAOYSA-N 427.421 -0.923 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1846384499 ZYUMYWYYVDWQNX-UHFFFAOYSA-N 437.522 -0.325 50 20 IBGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 14290970 YAXVBJTUKIRJFS-KRWDZBQOSA-N 443.460 -0.165 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 16201393 RBKOUNKRAZBMGE-UHFFFAOYSA-N 444.448 -0.308 50 20 IBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 748689673 RPXYRZFGDDJNHZ-UHFFFAOYSA-N 446.532 -0.019 50 20 IBGD COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 749551834 QEBUWKHWVWSGLQ-RRCSTGOVSA-N 434.405 -0.219 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 751208439 CVRLCPGLDHEVQZ-UHFFFAOYSA-N 433.402 -0.041 50 20 IBGD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1ccc(-n2cnnn2)cc1 755088896 YEIZGYFCROCZRH-SDADXPQNSA-N 436.432 -0.587 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 763850663 PLTVPRYYJFWTFB-LBPRGKRZSA-N 444.423 -0.290 50 20 IBGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764229759 BZQQVTZJRRZYHI-HUYFXPKMSA-N 426.451 -0.714 50 20 IBGD COc1nccnc1NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 766261388 XAKYQXGPFZOOOU-UHFFFAOYSA-N 437.482 -0.117 50 20 IBGD O=C(COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccccc1 767553273 WRGXXAHEEISEEB-UHFFFAOYSA-N 440.460 -0.090 50 20 IBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3nccc(OC)n3)cc2)CC1 773727394 YYADLQCFFTYRED-UHFFFAOYSA-N 443.464 -0.138 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797730351 OTXIRUIWMMWUSO-IBGZPJMESA-N 440.522 -0.106 50 20 IBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 818835305 OBNPRCJHSZZWKB-ZDUSSCGKSA-N 441.535 -0.245 50 20 IBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)o1 917106269 SMEDAFSFPKRRCD-UHFFFAOYSA-N 435.462 -0.854 50 20 IBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ccc(-n2ccnc2)nn1 1346157626 YHLCQSVILFJXPY-UHFFFAOYSA-N 432.466 -0.221 50 20 IBGD Cc1cnc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)cnn2c1 1778524262 UKTULMHHBXFHPO-QFIPXVFZSA-N 449.276 -0.525 50 20 IBGD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cnn1C 1779031813 XWZKPJRVQACTNT-HXUWFJFHSA-N 427.465 -0.516 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781761510 HECWDIYLSZTTCY-NRFANRHFSA-N 431.493 -0.398 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784108916 DIGFJIMZQKWSQS-YVEFUNNKSA-N 428.283 -0.228 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21)[C@H](F)Br 1789926033 LGGZGKFWYIEIEX-CXOVXGEYSA-N 438.294 -0.693 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccnn13)C2)c1ccc(B(O)O)cc1 1795736312 YDASZMZQEPBYNS-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1796439657 VFEZOXGFADWFGN-MGRLTOJPSA-N 446.464 -0.838 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800223065 IBXGTFFLGPCDMC-GGXPGOJBSA-N 446.552 -0.134 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)N1 1807371062 OYUCZQRKGQHQDI-YVWKXTFCSA-N 436.277 -0.640 50 20 IBGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)n1cnnn1 1809972136 CBUVFYYBLFMKMM-OAHLLOKOSA-N 426.286 -0.541 50 20 IBGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1830727732 CREILTWOLSJJSS-LQWHRVPQSA-N 437.924 -0.243 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831424697 MGWLKQMNUMEQPF-IIBYNOLFSA-N 432.282 -0.973 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccno1)CCO2 1834149810 BZJZZKFCNOIWOR-BTVXTAIASA-N 444.448 -0.121 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1)c1cccc(B(O)O)c1 1834799933 GETRDEDIAMIDCA-HXUWFJFHSA-N 429.326 -0.269 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835557364 HHPIVQWTNLNZPC-IIYDPXPESA-N 449.346 -0.933 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839966224 YFRNHUHORBHJKB-WSMBLCCSSA-N 434.331 -0.661 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840180110 IHLSSFBCSGGBFI-OALUTQOASA-N 446.573 -0.090 50 20 IBGD CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1845163863 YGBYGZWQKCQONG-LBPRGKRZSA-N 436.900 -0.346 50 20 IBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)C1 728729673 SKPRCDUCOSPNHA-GFCCVEGCSA-N 432.524 -0.254 50 20 IBGD COc1cccc([C@@H]2[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC(=O)N2C2CC2)c1 758056737 SOOJYFOIAUUHHH-UXEPBGEESA-N 438.506 -0.168 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)c1 764024091 FQKFUSSOLCPNRS-UHFFFAOYSA-N 438.462 -0.134 50 20 IBGD COc1ccc(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765722380 VCKZIFWAWCBPJG-UHFFFAOYSA-N 430.421 -0.941 50 20 IBGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 768563006 VYQPHFLGAWFMIQ-PIGZYNQJSA-N 429.499 -0.605 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777821107 CSIUGEVSPMGSTF-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 1779371017 GSVJOBDKJHJMQD-DYESRHJHSA-N 439.476 -0.084 50 20 IBGD CCc1nc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)co1 1779702878 HPQSVMUQRVWYEF-FQEVSTJZSA-N 428.449 -0.007 50 20 IBGD O=C(Cc1ccc(O)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791709762 NPBBXTDWDXWRRQ-YSSFQJQWSA-N 439.277 -0.697 50 20 IBGD Cc1noc(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732820 LKSFBQBYFBTTFY-UPHUGPLXSA-N 441.293 -0.193 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2)c1cccc(B(O)O)c1 1795738954 MJPUCMZFGZFAND-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cn2ccccc2n1 1796826243 SNKNHYJWTRVTOQ-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2cccnc2n1 1797359072 OXTUJPBLLJEXTJ-XEMDLRDOSA-N 446.272 -0.173 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971358 SOVJWTQKHZNRDS-MRXNPFEDSA-N 444.341 -0.081 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1813072039 ZIOMSXHIKWCZIT-JXFKEZNVSA-N 428.497 -0.248 50 20 IBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814561675 SZTZLIUZMWRMRX-OAHLLOKOSA-N 444.322 -0.619 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1 1830732883 XSGYEPSVGRDYAU-RDTXWAMCSA-N 429.905 -0.297 50 20 IBGD CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835661239 OZFYBEFBEVXFHZ-KCOUNZPASA-N 448.524 -0.424 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718438 OLQQWKGPELIWOJ-AWEZNQCLSA-N 439.900 -0.213 50 20 IBGD O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc2N1 1836784695 NIQQGYPSQRRCJG-OXQOHEQNSA-N 437.880 -0.149 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1837270499 DNXNGFJJBDTMLO-MRXNPFEDSA-N 445.318 -0.439 50 20 IBGD CO/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837459013 HCFTUGHZQKYSSD-YNEJIKTKSA-N 433.465 -0.695 50 20 IBGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CN1 1837920136 MWEQGPWFRKACQT-MRXNPFEDSA-N 443.309 -0.885 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)C(=O)O 1839198870 DSGFAYPVYIPXIH-HCKVZZMMSA-N 440.266 -0.804 50 20 IBGD O=C(c1ccnnc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200876 RJRDKYMCTNGXSR-NHYWBVRUSA-N 433.234 -0.057 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840182811 VJIFIQCFKBVBJU-JOCHJYFZSA-N 447.536 -0.238 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 740850876 CRBSFEMIYWSWLH-UHFFFAOYSA-N 426.495 -0.227 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CCCCS2(=O)=O)cc1 753274839 SPWPTZVUIOFFOD-HNNXBMFYSA-N 446.551 -0.087 50 20 IBGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C[C@@H](C)O1 764210694 FTNTXATYOXPIOU-CHWSQXEVSA-N 441.510 -0.868 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(-c2ccc(F)cc2)n1 764234258 XBEMBGDZQBTDAN-JTQLQIEISA-N 426.430 -0.657 50 20 IBGD C[C@H](Oc1cccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1)C(=O)O 764816506 JWCUHWZXENQGHK-NSHDSACASA-N 428.405 -0.564 50 20 IBGD COC(=O)NCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765728537 LGGZGMBYYAUZSG-UHFFFAOYSA-N 441.510 -0.805 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCSCc2ccccn2)n(C)c1=O 766639077 LWJMGMLWSUHAQA-UHFFFAOYSA-N 431.478 -0.700 50 20 IBGD COCCn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1=O 766653847 UDRORUKGIDQVMH-UHFFFAOYSA-N 441.488 -0.286 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 767147693 GPCWVMPHRQDPRY-UHFFFAOYSA-N 432.437 -0.020 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)c1 786685875 AWZDMRFSBFKZEZ-UHFFFAOYSA-N 446.489 -0.657 50 20 IBGD CS(=O)(=O)C1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCOCC1 796399196 QDEJWRWUWOXQPQ-CQSZACIVSA-N 442.446 -0.889 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nc(N(C)C)no2)cc1 812220460 LRIHUCBNAYIIHS-UHFFFAOYSA-N 425.471 -0.405 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779258481 XGYORDOQXOXIGE-SZNDQCEHSA-N 446.508 -0.567 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371130 GWXJZHDXRVWCIH-CQURBHOASA-N 446.508 -0.676 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn(C)c3Cl)C2)C1 1779863320 MDDADBSJOQKEMA-GOSISDBHSA-N 426.905 -0.110 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1783974430 NUHDQFVGXUEISL-VOAKCMCISA-N 448.314 -0.460 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc(Cl)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980102 JIRNXFVBEFKYCU-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788510551 JVACZCUQSRJTCU-LYCGJJAPSA-N 441.337 -0.700 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794108658 ORBIEZGOCRQYHU-HFLGISGGSA-N 440.884 -0.818 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1CCCC3)C2)c1cccc(B(O)O)c1 1795738819 HAVNIIIPXFIQEF-CCWDJLKJSA-N 439.277 -0.250 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccn1)C2 1797749453 ACZWZYPHAVEKGH-YVWYUNDQSA-N 438.488 -0.084 50 20 IBGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)on1 1798717450 KCEQZWWAZKIDBE-CCWDJLKJSA-N 427.266 -0.005 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803142950 OZMMRDVMRYEQID-XOKHGSTOSA-N 446.895 -0.001 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1831651652 SFOAIZKIJSAYQH-KVSKMBFKSA-N 433.933 -0.499 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831908343 XIGIKUMEOHNCMO-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833134084 XTSICTFRDULVSP-QFIPXVFZSA-N 447.536 -0.238 50 20 IBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834675773 AQZYTOCEHHNRGT-DOMZBBRYSA-N 446.390 -0.066 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835840042 AFCBDJJBSDWCEN-DLBZAZTESA-N 432.949 -0.691 50 20 IBGD O=C(Cc1ccccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928307 JSWHWRCDQCUJLM-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839700856 FXDIMAVPYHEXPT-ACJLOTCBSA-N 433.889 -0.607 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1840183718 VRRYKFDWWAMXKB-GOSISDBHSA-N 425.511 -0.414 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840184104 RWRVZDGJFVKMHZ-OAQYLSRUSA-N 439.557 -0.698 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)n1cnnn1 1840479234 QAOXXWSHJBWQOY-WQVCFCJDSA-N 435.312 -0.073 50 20 IBGD Cc1cc(C)n2nc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)nc2n1 735117266 DXSBRTARTYFVAE-UHFFFAOYSA-N 445.509 -0.171 50 20 IBGD CN(C)N(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 737484449 UASWIFUKEMHSMY-CYBMUJFWSA-N 434.496 -0.292 50 20 IBGD O=C1C[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1 760302057 QGHAOMATLYOHHE-HNNXBMFYSA-N 438.506 -0.686 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCC(F)(F)F 764229791 CATUPANWNIMPKU-VIFPVBQESA-N 440.400 -0.040 50 20 IBGD Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n[nH]1 768277876 OZIBHOXOMUWCBO-UHFFFAOYSA-N 448.505 -0.208 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 768644835 HUNUPVHRGBXQMA-AWEZNQCLSA-N 440.522 -0.278 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCn4ccnc4C3)nc2)CC1 779666659 VGHJZODRNMQYRM-AWEZNQCLSA-N 434.526 -0.145 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 789735241 NIBXHDRXWVMTLX-MRVPVSSYSA-N 444.420 -0.611 50 20 IBGD Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(=O)c1 790686986 CPGGYBLXXGJBJN-IIBYNOLFSA-N 445.428 -0.562 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1C(F)(F)F 790951759 HAOVQNZDXQUVCG-SSDOTTSWSA-N 426.373 -0.262 50 20 IBGD CN(C)N(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 792856372 XUQFBNSTBYRLIE-UONOGXRCSA-N 432.543 -0.006 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1C 795102356 XGTYZWOCELOONG-UHFFFAOYSA-N 429.476 -0.003 50 20 IBGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)CNC(=O)OCc1ccccc1 811701436 WPWPAIILZUJCSQ-UHFFFAOYSA-N 436.512 -0.855 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781047435 RPKQXOWSARHCHL-DZDCQFRTSA-N 449.932 -0.057 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117185 BRDSFOYXMQNWPD-YVEFUNNKSA-N 428.283 -0.085 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984327 DRISTIOGIMRUMF-SZMVWBNQSA-N 449.276 -0.684 50 20 IBGD Cc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737204 DDKDHBZWSFGDFP-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNc3ccccc31)C2)c1cccc(B(O)O)c1 1795737586 YGLAEAKGYXNZQN-NNNWTRQLSA-N 435.289 -0.221 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1snnc1C1CC1 1796705190 AEZDOTAUWNDWDG-MIFYACCESA-N 442.306 -0.388 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829927673 HZGRNZYUXYJVQX-OXJNMPFZSA-N 426.514 -0.615 50 20 IBGD COCCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797749 BCSPWVHUGLFPDI-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840155705 GWDKDYDXFOVXTO-GRDNDAEWSA-N 438.930 -0.726 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1C 763678704 ARCWZYQOXDEDDQ-UHFFFAOYSA-N 437.478 -0.291 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)n(C)c1=O 765126420 QZYVEJNIBVHKNZ-UHFFFAOYSA-N 442.457 -0.403 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 769228336 VREHFICVLAFXMO-UHFFFAOYSA-N 439.454 -0.249 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)O)c(=O)n2Cc1ccccc1 776612325 GSSIEUBOYAMVOJ-UHFFFAOYSA-N 428.449 -0.654 50 20 IBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cn1 781986373 ZFQBUEGYBIFOCS-OCCSQVGLSA-N 427.870 -0.341 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H](O)c2ccc(Cl)cc2F)n(C)c1=O 813488562 YVYLDBGSXQCBSE-CYBMUJFWSA-N 438.803 -0.893 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 839291832 FSVRLIFNFVNIQH-HNNXBMFYSA-N 441.462 -0.811 50 20 IBGD Cn1c(CC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)nc2ccccc21 1322649274 XPUVSTSZUVZXKJ-UHFFFAOYSA-N 436.538 -0.045 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2)C1 1783872026 ZNRBQESACNLLOA-NJSLBKSFSA-N 449.932 -0.044 50 20 IBGD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788610605 KMWQDDQKDKGTIL-ZLIFDBKOSA-N 427.465 -0.674 50 20 IBGD O=C(CCn1cncn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813318493 VWQFKHVHZFPMJA-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD O=C1NC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)O1 1815278075 ZPRWMLQSKWXWQL-GJZGRUSLSA-N 427.226 -0.496 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cncn1 1826786883 SEDZHTNSXPKVRY-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)sc2C1)c1ccc(B(O)O)cc1 1827381313 CSTVHQXRFRZCEV-SZOQZIPDSA-N 427.291 -0.059 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831512767 WCIJKSGWBVMCQD-AVBTWRTFSA-N 449.508 -0.838 50 20 IBGD O=C1CCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835411820 NVKUBBHGKNCVHV-GOEBONIOSA-N 436.278 -0.244 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835566065 UDIHURJUTQNXAM-ZLIFDBKOSA-N 439.340 -0.728 50 20 IBGD Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457141 WUQIUWPJMXQCBP-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837460994 MLFFDMADCSISBI-LJQANCHMSA-N 435.456 -0.353 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1840185468 QNQZUIBDTHMYPI-DYESRHJHSA-N 440.541 -0.368 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1csc(N2CCOCC2)n1 742479130 VBYCBGQXRLHMOQ-QHSBEEBCSA-N 449.489 -0.707 50 20 IBGD CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)CO)CC2)cc1 753438551 NNTUUMKTYIEGPD-UHFFFAOYSA-N 440.522 -0.437 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(CC3(C)COC3)nn2)cc1 758998568 WORJVVDIRSWDCY-UHFFFAOYSA-N 436.494 -0.295 50 20 IBGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 760149999 SWUHBAAHBPXXAZ-HXPMCKFVSA-N 438.506 -0.421 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763431661 DIJCWTSLRDQKDI-SNVBAGLBSA-N 436.487 -0.691 50 20 IBGD CC(C)NC(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 767353169 BCVFEMUWLBCTRV-UHFFFAOYSA-N 441.448 -0.967 50 20 IBGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793216044 UUJPFRYRWPBHII-CQSZACIVSA-N 427.483 -0.333 50 20 IBGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 795312996 TZNIHSWPGQNJPC-UHFFFAOYSA-N 440.503 -0.136 50 20 IBGD CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 815102947 VIOUKCJPSLEBTO-BBRMVZONSA-N 426.495 -0.276 50 20 IBGD O=C(NNC(=O)c1cnn2ccncc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 1346316522 QAQKGCFPXGZEHA-UHFFFAOYSA-N 430.446 -0.175 50 20 IBGD Cc1nccnc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779778954 KRKPBHIAWAEEGW-HXUWFJFHSA-N 425.449 -0.459 50 20 IBGD CN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786978759 RALBWHMWHXDARS-IHPCNDPISA-N 429.326 -0.699 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980986 IMVSWKDACBAAED-QRTARXTBSA-N 442.237 -0.490 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1788778570 RLIOZXDUUJAFLF-PSWFKFNGSA-N 434.331 -0.099 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791540033 IQFLASQUAYHWSG-RDDKANTKSA-N 441.916 -0.964 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)(Cl)Cl)C2)c1ccc(B(O)O)cc1 1795737171 ZOYIEAZVWWFFEL-PTEHBNRSSA-N 435.500 -0.060 50 20 IBGD CN1CCN(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)CC1 1796186942 BCALPCBJKUENJA-ACDBMABISA-N 428.342 -0.744 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2cnccc2n1 1796891152 MEYMKMMECMLCCP-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)C(Cl)Cl 1801016213 MFCPSEMZYOUPFQ-AKZRSSKFSA-N 437.305 -0.155 50 20 IBGD N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801992294 BMLUJRFEOGQMSW-OPMZPASUSA-N 449.272 -0.480 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804096433 VIJXSEONNRUNND-GRDNDAEWSA-N 437.884 -0.107 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359380 IMXLTQNNNMCBGJ-LIVBEALHSA-N 438.293 -0.408 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808616298 ZMSOOSPQBZRGNK-BEFAXECRSA-N 442.476 -0.591 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832120736 PWPXOPSOXCEKAA-HYTUBDAOSA-N 435.456 -0.065 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838954772 YBERHQQAIJDKCH-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840292482 SXTUEVQBWIFPLH-JOCHJYFZSA-N 428.294 -0.370 50 20 IBGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1 728434657 OOZLBBXBGGUWHP-GFCCVEGCSA-N 432.524 -0.110 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)c1 732258183 HVKSZLJZQIPDRV-UHFFFAOYSA-N 425.467 -0.580 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 744686297 QFWCWZMKFFIWMF-HUUCEWRRSA-N 437.474 -0.665 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1N1CCSCC1 764230702 JWZLUYGMCVYLQD-GFCCVEGCSA-N 443.551 -0.428 50 20 IBGD CCC[C@](C)(O)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 771647117 DUPOYXQAHIGCKL-IBGZPJMESA-N 426.539 0.000 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778436716 NZCLXLHMGFXWHX-JTQLQIEISA-N 432.503 -0.624 50 20 IBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cn1C 808105116 XICUSVGJFVUPSM-UHFFFAOYSA-N 432.455 -0.395 50 20 IBGD Cc1nn(C)c2cc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc12 812988991 ASUJYHLUIIOMRK-UHFFFAOYSA-N 439.436 -0.518 50 20 IBGD C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916623494 VFEYCJPMEBYXCO-AWEZNQCLSA-N 436.494 -0.063 50 20 IBGD COC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 919885482 LPVOCNIWLLJLKJ-GFCCVEGCSA-N 434.515 -0.080 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 1328862528 DYWMBSWJISYORE-UHFFFAOYSA-N 430.483 -0.350 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1779030652 GGRSGUAPKTZZJB-FQEVSTJZSA-N 427.417 -0.604 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332372 XSGBYAVWFRCMGB-RISCZKNCSA-N 425.324 -0.009 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781603397 AEVJCGPZTYLQLH-NRFANRHFSA-N 428.225 -0.032 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092794 VYQVUDOQNPOYKT-CXOVXGEYSA-N 435.905 -0.591 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)c1n[nH]c2c1CS(=O)(=O)C2 1787151804 YYXJDTNGHXBTPY-COPCRZHJSA-N 434.877 -0.034 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2cn[nH]c2cn1 1788465960 NMFALWQTFLYWOY-VHFSOBRXSA-N 449.276 -0.455 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1F)C2)c1cccc(B(O)O)c1 1795739727 GUWCKLRYKXMYHD-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795852293 UNCUHSXYOLFSGQ-NDMOTNCASA-N 428.453 -0.998 50 20 IBGD Cc1nc2ccccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796836577 ACTKSKKXTDEFFI-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797062194 KOTLQFRLLORARK-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1807365203 SNCAHLALAKFHNZ-POAQFYNOSA-N 436.277 -0.640 50 20 IBGD Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830724662 AKLDFAWFGOYBGT-DYVFJYSZSA-N 432.930 -0.165 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139804 WVVDWNZKCQYODB-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836973553 VXNRCEMONBIWIO-AUUYWEPGSA-N 442.900 -0.011 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1837920249 LJBOCQAQYWOAFW-FQEVSTJZSA-N 427.310 -0.493 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202313 AIGOAWWSDVZJKU-ZBFHGGJFSA-N 448.245 -0.942 50 20 IBGD Cc1c(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)cn2[nH]cnc(=O)c12 1844657127 TUPJGNIKBJWMGH-UHFFFAOYSA-N 429.481 -0.479 50 20 IBGD COc1cc(OC)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 254606872 FLDMJJQUNNMOKO-UHFFFAOYSA-N 430.421 -0.390 50 20 IBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)ccc21 747694979 FDGHZXJMIZNJHH-UHFFFAOYSA-N 438.487 -0.096 50 20 IBGD COc1cc(C(=O)CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(OC)c1OC 758037983 BNJNIPWPNBMGPU-JTQLQIEISA-N 431.467 -0.240 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 758048778 WDIWZDHSKHTOPU-BXKDBHETSA-N 447.311 -0.113 50 20 IBGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 764329220 VGHGTJGGUMIHEP-CQSZACIVSA-N 438.444 -0.088 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 767307926 XRUJFLGMSGKDLY-UHFFFAOYSA-N 441.444 -0.569 50 20 IBGD COC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCO1 789332515 PUWQXMWWJPUCKB-JKSUJKDBSA-N 442.542 -0.162 50 20 IBGD Cn1cc(C(=O)NNC(=O)C[C@@H](CC(C)(C)C)C(=O)NNC(=O)c2cnn(C)c2)cn1 808426548 FGIVKFKYRPKAIW-LBPRGKRZSA-N 432.485 -0.182 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 915189220 FASCBLVSJCAFHH-KGLIPLIRSA-N 447.517 -0.218 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 916728497 XDBGHQKWRMRROB-CYBMUJFWSA-N 435.506 -0.314 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373140 FUBCXEMUYQZWGO-FOIQADDNSA-N 442.480 -0.447 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330850 HUGWQGIXMPURLM-ABAIWWIYSA-N 443.233 -0.448 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)[C@@H](O)N1CCOCC1 1788654701 CAWWJYHXKPRFTF-VGBQHSPPSA-N 438.294 -0.693 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1793313620 YZZRJLNHCFGFBL-HGTKMLMNSA-N 435.619 -0.245 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799417027 XNMOVWRAUYJUCC-HBCWATKFSA-N 441.492 -0.529 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1813072014 XPBDGRXQMRFHPT-YRNRMSPPSA-N 447.540 -0.947 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)CC2)c1cccc(B(O)O)c1 1815355140 OPLJXLJRYQHNPA-HNNXBMFYSA-N 438.274 -0.004 50 20 IBGD O=C1Cc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc2N1 1830731590 MORAYBGQNSFADP-UZLBHIALSA-N 437.880 -0.149 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835637356 AVTGUZHSZMTTAH-SJORKVTESA-N 436.340 -0.481 50 20 IBGD Cc1occc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456942 QFVYWITXXXVFOS-NRFANRHFSA-N 443.460 -0.030 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1837937514 FZDBFJFMDPUDQO-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838655056 RCPWSCDSCCAJSV-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccs1)C2 1844263660 CWPXLWQTPLXFOD-UHFFFAOYSA-N 442.501 -0.006 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 729276229 ZUCGYRSIFOMEEX-OCCSQVGLSA-N 432.524 -0.685 50 20 IBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)cc1 751206662 KUPQIIHDOOLCNB-HXUWFJFHSA-N 427.417 -0.068 50 20 IBGD CCOc1cc(F)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755964847 IQRPMPVTRSYYGX-UHFFFAOYSA-N 433.400 -0.176 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 764226287 HKMNIKLPFRZZQJ-ZDUSSCGKSA-N 425.511 -0.304 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 817053183 GZVRCASEVGWKMM-QWHCGFSZSA-N 444.535 -0.584 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1)c(=O)n2C 825370734 YSCXLJYUOBGUAR-UHFFFAOYSA-N 448.823 -0.909 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 869776001 XAKIDGUCZRCHIF-UHFFFAOYSA-N 430.421 -0.941 50 20 IBGD COCCN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 914458775 NHCZSTJOAGPGNY-HNNXBMFYSA-N 438.506 -0.273 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@]1(F)CCOC1 1346326992 MHJGPCSYLHHSBU-GOSISDBHSA-N 429.470 -0.084 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778560872 YFULFEHJIDZPNU-JOCHJYFZSA-N 438.293 -0.344 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781058904 DYXFSYKTJHKNAG-PNLZDCPESA-N 449.552 -0.410 50 20 IBGD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CCN1 1782269318 GZKVHFQUSPBPSJ-AQOAWAETSA-N 443.309 -0.980 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1783937407 KAVRJVQKLGVVAI-VFNWGFHPSA-N 432.525 -0.283 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786984707 ZHCCVAXQSBVAHN-VDGAXYAQSA-N 425.294 -0.079 50 20 IBGD Cc1ccn(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789385570 JERCVATXCDSSOG-WDSOQIARSA-N 425.294 -0.080 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789807400 DVZIBSFEPVBMOC-XSLAGTTESA-N 442.988 0.000 50 20 IBGD Cc1nc2ccccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734196 IWNYHCGVCSQOJA-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2cccnn2c1 1800007788 CTVXAAZEPOLESQ-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403834 IIDJROOYKXSBCD-ABAIWWIYSA-N 428.453 -0.151 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931182 IAMRAWVVKNHIFG-HRAATJIYSA-N 447.297 -0.763 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840152181 AMLIHCXJPXWRFM-SJKOYZFVSA-N 430.845 -0.788 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188484 MLZPCHLJRZEBOA-QGZVFWFLSA-N 446.291 -0.441 50 20 IBGD CC1(C)CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1840223611 GMOORDXLSWRJNS-JOCHJYFZSA-N 430.310 -0.127 50 20 IBGD O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)[C@H](O)CCl)C4)n2)CCCN1 1842304591 RBOGUZMWRKRQLZ-OAHLLOKOSA-N 435.912 -0.175 50 20 IBGD COc1cccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1O 743316835 ILURQIZPPHBNSI-JTQLQIEISA-N 425.467 -0.121 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(C#N)c2)s1 746219547 VMOOXHAQTBSADA-UHFFFAOYSA-N 435.487 -0.005 50 20 IBGD CCn1ncc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc21 756269273 NRWKDZBLUFDUGE-UHFFFAOYSA-N 439.436 -0.344 50 20 IBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)C(C)(C)O)c1OC 768255246 HORWRINFSLWYGP-UHFFFAOYSA-N 431.467 -0.743 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 816875823 IWOIEHIDKMVLST-AWEZNQCLSA-N 434.478 -0.441 50 20 IBGD C[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O 915807672 ABXXQRPWOILBCZ-CYBMUJFWSA-N 447.535 -0.779 50 20 IBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 1318651207 BKKNFEUMEQHPHI-UHFFFAOYSA-N 425.511 -0.413 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1779031823 ZDRZSFUYKPSFHI-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783174760 TUCYKVHFXNTMTC-MGHWTXBTSA-N 432.481 -0.525 50 20 IBGD CC(=O)O[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(C)C 1795734343 MSQIWJBNUJRLAD-UKBAYJJMSA-N 432.282 -0.843 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797044090 TXZAAUXDBPNNEP-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD O=C(CN1CCOCC1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976579 HYDSSZONMHNLOA-UHFFFAOYSA-N 429.326 -0.457 50 20 IBGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1810299484 QSRISIPYRWROFU-YOEHRIQHSA-N 449.475 -0.158 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732800 ASWYQPJUYCMFKK-QAPCUYQASA-N 443.840 -0.030 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833495875 DUTPEESNEKVFTM-SGTLLEGYSA-N 442.856 -0.501 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1837715872 OXEYZCJSPGUDER-MAUKXSAKSA-N 448.614 -0.129 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839663802 PCGOTYQWSRKQRD-LJQANCHMSA-N 438.557 -0.449 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840447316 BBTWGCKJAZGHEM-GOSISDBHSA-N 425.562 -0.024 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2)NC(=O)NCc1ccccc1 1845039456 QIDKSEWACQSNQV-UHFFFAOYSA-N 430.509 -0.199 50 20 IBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C1CC1 725905940 KBYWCYUSVGUGBE-CYBMUJFWSA-N 437.927 -0.021 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 729276616 ISSJCYXPLRXUOO-NSHDSACASA-N 432.524 -0.394 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 729619450 QIQBFVIKMOMJRS-CABCVRRESA-N 425.511 -0.256 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCN(C(C)C)C2=O)cc1 734216471 SZWPWVOIJPZKDP-HNNXBMFYSA-N 425.511 -0.045 50 20 IBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1 735444105 BLIIPKBYGLVMPZ-UHFFFAOYSA-N 439.494 -0.222 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 740851363 BDCLMZSGSMOGLH-UHFFFAOYSA-N 429.455 -0.333 50 20 IBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742491279 RJBYEOBYSDVXOA-GHMZBOCLSA-N 428.492 -0.914 50 20 IBGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746164591 YAWPAGFEEJQQNG-LUGWNYHVSA-N 431.492 -0.527 50 20 IBGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1OC 750272850 KOJKPFKVTHNSEA-UHFFFAOYSA-N 427.439 -0.245 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ncccc2C)s1 752229187 KHIIJXXQALTQNQ-UHFFFAOYSA-N 425.492 -0.173 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 760438582 ZXZZBMHRJUOEJJ-NEPJUHHUSA-N 432.499 -0.916 50 20 IBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763996262 NQXCUQIUNQDYFI-UHFFFAOYSA-N 436.494 -0.259 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 764230466 IWFPNWHRRFEHPT-VIFPVBQESA-N 428.858 -0.451 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cc(C(N)=O)co3)nc2)CC1 779671187 WIQSDQYNIIIVOE-UHFFFAOYSA-N 437.482 -0.464 50 20 IBGD CC(C)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)CC1 783999431 OBTSZOFPNBUWCD-UHFFFAOYSA-N 430.509 -0.075 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc(-n2cccn2)c1 792365963 YCGRQGZHAAWQRQ-UHFFFAOYSA-N 426.389 -0.010 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CO[C@H]1CCOC1 1319359827 FWVBWDDDYNZZSY-INIZCTEOSA-N 441.506 -0.407 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779061647 RBWKTEXLOHCYED-FOIQADDNSA-N 433.513 -0.520 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782282890 ZTUDWFPGCJMGQU-FQEVSTJZSA-N 434.497 -0.518 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784131585 ZNTIFRHMMBIWDS-VTJXTGGHSA-N 431.493 -0.320 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1786407846 XMSOKBVCKMIVMY-AVGNSLFASA-N 428.283 -0.324 50 20 IBGD CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983570 NWXGXAAYDWEHSD-OWLYRPNTSA-N 436.339 -0.926 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C[C@@H]21 1788607791 HSRAWQFDXRTTRB-RUGDWHBFSA-N 431.493 -0.153 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1791059376 XZAZWORHSUVTAG-BJDJZHNGSA-N 440.298 -0.048 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1791250037 XCIOCWMOQAOJOA-AJNGGQMLSA-N 427.885 -0.465 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCSCC1 1792540980 XSTSZPRDJPPCFE-QDMKHBRRSA-N 432.550 -0.014 50 20 IBGD Cc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1795306641 BLZYGAPMMZEFKA-OPMZPASUSA-N 438.289 -0.043 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1Cc3ccccc3C1)C2)c1ccc(B(O)O)cc1 1795736898 NOMTYTFCNSJYSG-VTYHHJSWSA-N 434.301 -0.015 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccc(O)c1)C2)c1cccc(B(O)O)c1 1795741262 QARPMCRNLJBCMS-IEMDBUEVSA-N 436.273 -0.011 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nccn2c1 1797079083 IWFLVPUNESARNR-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800264524 KWGYUEWCBYTKRG-LHGZKFJMSA-N 442.480 -0.437 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369234 CORYJINBLXFJEW-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cnnn1 1807373974 GWNIZGGNNOFHLS-LSBZLQRGSA-N 449.280 -0.671 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1813028235 LYPFBEKSJMUCFE-GRDNDAEWSA-N 437.884 -0.107 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1814523987 XBMCBKWNJZXYKZ-RHSMWYFYSA-N 439.281 -0.078 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347933 YBTBBKVHGZALIL-LSDHHAIUSA-N 444.322 -0.037 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829916178 VJJMZNNXDXSQQB-GHTZIAJQSA-N 432.282 -0.995 50 20 IBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830726120 VIUQOTPCTYWDRF-KSSFIOAISA-N 431.848 -0.101 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2nccn12 1830735312 GNZPJSUSFQRYAI-HNAYVOBHSA-N 437.884 -0.293 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1832549448 PQDIDJSAFZEBSJ-SCLBCKFNSA-N 434.921 -0.466 50 20 IBGD O=C(c1ccccc1-n1nccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839379262 WNBNKVSVLUXSFZ-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840065392 GSZIZNQFJQGADD-HXUWFJFHSA-N 431.229 -0.783 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840149876 CHFOZPZSXFZYNJ-ACJLOTCBSA-N 430.889 -0.248 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840153215 HOOLXQVAVUDPGF-SJKOYZFVSA-N 430.893 -0.970 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1)NC(=O)NCc1ccccc1 1842837224 FXLPZWXSXALDJV-UHFFFAOYSA-N 430.509 -0.376 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845070892 IUZIAZNWPVUHIS-SJLPKXTDSA-N 425.294 -0.416 50 20 IBGD COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1 728434666 OOZLBBXBGGUWHP-LBPRGKRZSA-N 432.524 -0.110 50 20 IBGD CCS(=O)(=O)N(C)C1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 731365959 TXZYDSDXALINME-UHFFFAOYSA-N 431.540 -0.035 50 20 IBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739411358 JFHDQUOFWXFUJJ-OAHLLOKOSA-N 444.535 -0.082 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cnc(C(C)(C)C)nc2)n(C)c1=O 756245303 KOVIVPOIMMYZCN-UHFFFAOYSA-N 429.441 -0.626 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 758054193 NZQPIAQGAYJCOB-LBPRGKRZSA-N 432.524 -0.440 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnc(N(C)C)nc2)cc1 763734293 JEELULXSSZWNDW-UHFFFAOYSA-N 449.493 -0.742 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 764225559 AADJFQJDFGKMGM-NSHDSACASA-N 445.461 -0.556 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1OCc1ccccc1 764229488 ALWHRNUZMMXJKA-GFCCVEGCSA-N 435.462 -0.316 50 20 IBGD C[C@@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772885091 VFBPOZHOMFASJR-XNHWVXRISA-N 448.863 -0.346 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)nc1C 778421902 IKCYNHWYPDLIBG-UHFFFAOYSA-N 427.421 -0.027 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 779520762 RIDWVDFWTMQQDM-IUODEOHRSA-N 428.511 -0.525 50 20 IBGD C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CS2 800347049 RSOQXXIANDKRNN-SZEPBZDZSA-N 435.458 -0.029 50 20 IBGD O=C(COC(=O)C[C@H]1CCCS(=O)(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 815282797 NRBGUSZISVBKNQ-IUODEOHRSA-N 426.447 -0.268 50 20 IBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 816886049 NXUJGEDNUDTTJX-CYBMUJFWSA-N 436.494 -0.465 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1777903910 TWZSYAOQLKETQC-OAQYLSRUSA-N 443.508 -0.146 50 20 IBGD Cc1noc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030641 FLIVJWYLZZJRSP-LJQANCHMSA-N 429.437 -0.937 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3(O)CCC3)[C@H]2C1 1791821930 ZMQLQZNLNHOBQY-JQFCIGGWSA-N 431.493 -0.417 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793763821 CCYFEVXUSCKMTL-MIJXAVMKSA-N 431.287 -0.699 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797389539 ZBYFNGDWNCZOEO-ZSBFGKGUSA-N 429.481 -0.695 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C1(O)CCC1 1797748040 DHCLALUKDGWIAP-ZJOBFFGXSA-N 431.493 -0.561 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc2c1OCO2 1798470650 LXWJQEZVUPQANW-XOIINTDNSA-N 439.233 -0.993 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812642768 JGWPRIZRDOJILV-QINHECLXSA-N 430.509 -0.404 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817299320 SSVNSGLCRPAKEX-ABAIWWIYSA-N 444.322 -0.085 50 20 IBGD NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833308506 UQICGPYFQVATQN-INIZCTEOSA-N 437.928 -0.035 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833498344 XIQHAIWPOATXGM-KKSFZXQISA-N 445.369 -0.041 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235427 UTLZJQYWIVRZKB-CZUORRHYSA-N 430.303 -0.235 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 729274787 CVZBIQDVXYSWAT-ZDUSSCGKSA-N 426.495 -0.611 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)n(C)c2n(C)c1=O 734241333 NAAMAOSJCDONHU-UHFFFAOYSA-N 437.457 -0.956 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1 750642935 DITOINKGWKBAJX-CQSZACIVSA-N 425.511 -0.045 50 20 IBGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 755954602 DRUPUVOKMDUQGO-UHFFFAOYSA-N 448.504 -0.197 50 20 IBGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756785352 SDRRDNVUYUQEHM-NSHDSACASA-N 434.496 -0.801 50 20 IBGD COC(=O)c1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C 756846616 VZIDLMYXDHGVJP-UHFFFAOYSA-N 443.420 -0.618 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 763548610 NUXDSCGOVABIAX-INIZCTEOSA-N 426.385 -0.284 50 20 IBGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 763932731 SABPHFYJIYQUDT-UHFFFAOYSA-N 448.867 -0.276 50 20 IBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@H]1CN2CCCN1CC2 764753579 YHLLUYNZPLQVOC-LJQANCHMSA-N 434.972 -0.005 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc[n+]([O-])cc1 863949952 BRVPGOSLQOZQOI-UHFFFAOYSA-N 434.474 -0.265 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 915477347 WXHCWICTYKVGPT-UHFFFAOYSA-N 435.458 -0.083 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 1319518706 NQEJRWURXJPWPP-ZDUSSCGKSA-N 443.507 -0.282 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc[nH]1)C2 1779371216 SLSGSMSRZQXSAW-FOIQADDNSA-N 427.465 -0.151 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H](O)c1ccco1 1783561009 PUQPYELQXUEIGJ-CBVHJVASSA-N 428.250 -0.714 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1796441445 JDTNZFICXWKBKV-NNGSTNBRSA-N 441.448 -0.481 50 20 IBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803478724 CPJFUMVDIHQWMF-AUUYWEPGSA-N 439.476 -0.464 50 20 IBGD Cn1nncc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360361 AQWGLXCNFHBRDP-VQIMIIECSA-N 434.265 -0.477 50 20 IBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)CC1 1818890300 ODVHUEJXAXUUHZ-OCCSQVGLSA-N 443.957 -0.181 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1831870945 IZKUTDQBRYVGCN-IRXDYDNUSA-N 438.573 -0.428 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1833717476 JLLYMZVXGGJELH-LSCMLXDISA-N 443.464 -0.386 50 20 IBGD CN(C)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801261 WVHQCDHXJAPHRY-UHFFFAOYSA-N 430.358 -0.497 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682615 MXCNDMUTRNCZGO-BEFAXECRSA-N 430.933 -0.022 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840153769 ZCNAFPQLBVUBGO-KDOFPFPSSA-N 433.889 -0.461 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1840185469 QNQZUIBDTHMYPI-LAUBAEHRSA-N 440.541 -0.368 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)c1ccccc1 1841522032 KGQCQGONJAFENN-UHFFFAOYSA-N 435.289 -0.044 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844384946 RXGBVCMBLWJLKN-OHHQFBAHSA-N 432.481 -0.525 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)o1 725889914 HAUXQWADBHVTNY-UHFFFAOYSA-N 426.499 -0.097 50 20 IBGD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728959607 NUJBTCXICDUQLC-MRXNPFEDSA-N 446.556 -0.034 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 735118529 WHPZJZQNUNUHHN-UHFFFAOYSA-N 444.473 -0.342 50 20 IBGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 793222569 CGUZTTTUGFYQIL-CQSZACIVSA-N 427.483 -0.333 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ncccc2Br)n(C)c1=O 793677357 VTBFZNGYGSJBTD-UHFFFAOYSA-N 436.226 -0.948 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nccn2-c2ccccc2)n(C)c1=O 801758752 TUPBSMFCTHTSRJ-UHFFFAOYSA-N 437.420 -0.528 50 20 IBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[nH]1 814194172 AXANYTGNVJGDKX-UHFFFAOYSA-N 436.446 -0.103 50 20 IBGD CNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 919877945 QFLDGQQQJGGAEW-UHFFFAOYSA-N 431.902 -0.087 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1779030605 DHQLDUYNTRAIGA-IBGZPJMESA-N 447.883 -0.321 50 20 IBGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)n1 1780270893 WJOBLGWMXOSTAS-NRFANRHFSA-N 425.250 -0.467 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnnc(Cl)c1 1785445413 GZUZOFPPMYTWPU-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788644923 KECLWQSUBAKQER-ZVZLPEGASA-N 448.358 -0.352 50 20 IBGD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1794697104 FBSXMVYVPAOSQL-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccccc13)C2)c1cccc(B(O)O)c1 1795738748 DOKPKAOPTNCYQY-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(Cl)cn1 1795763001 RTYBFUXNPFNCKP-IVWMJMPLSA-N 426.905 -0.501 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798473146 XAMOTFYQCWVJKN-RDGPPVDQSA-N 446.265 -0.887 50 20 IBGD O=C1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)N1 1815354665 PHHVPPAJFROXAI-TZMCWYRMSA-N 428.279 -0.673 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820140687 MNENBRDKLDUCCA-RISCZKNCSA-N 442.306 -0.261 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1)[C@@H](O)CCl 1833312754 BNLTVTDGRVIYFI-HNNXBMFYSA-N 426.901 -0.917 50 20 IBGD Cc1ccoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937428 VVHBHIALZYVJMM-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214561 RCFOJPDYRNXHKQ-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD O=C(/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)NC1CC1 1839200883 RLXPYTUHPIRIQU-MXTKCAFNSA-N 448.289 -0.032 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839963700 SNKSBARYOYDJOB-IUODEOHRSA-N 441.344 -0.339 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)n1 1843011400 YYRGNYLNMFQPTE-UHFFFAOYSA-N 440.221 -0.191 50 20 IBGD COCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846248342 PZLYVKVEOMRJJT-UHFFFAOYSA-N 434.298 -0.747 50 20 IBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 728383655 CSIVBILVHAFCAF-RYUDHWBXSA-N 425.463 -0.361 50 20 IBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)CC1 728952687 AARGIAQDCUOOKJ-UHFFFAOYSA-N 435.510 -0.978 50 20 IBGD CCOCCCN1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@@H](C)C1 735227377 SGGRERAHFBQOQO-ZDUSSCGKSA-N 426.543 -0.188 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 742062493 PRDIOVADJYWHOH-JTQLQIEISA-N 442.523 -0.657 50 20 IBGD CNC(=O)Cn1cc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 757867859 XZISFXSKTBHUSJ-UHFFFAOYSA-N 449.493 -0.120 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc2c1OCC2 758151749 VRPGARWLPLCFNR-ZETCQYMHSA-N 442.313 -0.369 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)COCc1ccccc1 763052547 PENCTFDBKHZRGY-CYBMUJFWSA-N 434.474 -0.184 50 20 IBGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 764229725 BVHMHHPETLULIL-ZETCQYMHSA-N 437.272 -0.988 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(N3CCOCC3)cc2)n(C)c1=O 764812998 TZUCALURPQTIDY-UHFFFAOYSA-N 425.449 -0.579 50 20 IBGD COc1cncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 790139098 LFUSHKHMAAQCBJ-UHFFFAOYSA-N 449.489 -0.100 50 20 IBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 792084944 QSYGPPISUPVEQM-IINYFYTJSA-N 440.400 -0.864 50 20 IBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)c2ccccc2c1=O 913572971 ADLNWFXVXQPRQH-UHFFFAOYSA-N 433.421 -0.188 50 20 IBGD Cn1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1784574840 XUIBNHZVUGXTSY-HXUWFJFHSA-N 427.465 -0.895 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785378617 LGQOWOPFMHQIPL-HSZRJFAPSA-N 449.272 -0.239 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792889359 OHJVEMLUANIUIB-ZQNQSHIBSA-N 449.932 -0.285 50 20 IBGD CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)N(CC)CC 1793457090 DRSPEWYQHVQFPO-HNJRGHQBSA-N 431.342 -0.310 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)cn1 1794920356 YHDNCXDIZPXPFZ-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808217970 OAMKVVKZCBQGHS-ZYSHUDEJSA-N 435.488 -0.072 50 20 IBGD N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809743942 ROVWUNNOWJSIPF-UHFFFAOYSA-N 427.314 -0.949 50 20 IBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1812640359 BTJMWGVVSMABDE-ABSDTBQOSA-N 436.277 -0.783 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880248 HVAPIGUEFUNTJE-KUHUBIRLSA-N 436.428 -0.512 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071591 UNNJQRPYOSCZTK-TXPKVOOTSA-N 447.540 -0.093 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCS(C)(=O)=O)sc2C1 1827215260 QSWDTRLGYOQIIA-LLVKDONJSA-N 445.567 -0.137 50 20 IBGD C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833464800 UVNPSUHWUFZJOI-KRWDZBQOSA-N 441.337 -0.410 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840422905 NXMDYBSPBARAQB-KHYOSLBOSA-N 427.885 -0.095 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840458862 DHJOJYCLCIMKLY-NRFANRHFSA-N 448.524 -0.761 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1cnnn1 1840479190 OSFRQVXVKNWXML-JTNHKYCSSA-N 435.254 -0.619 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c(=O)nc1O 1840809449 YPBDVGIOTHXXHW-QGZVFWFLSA-N 449.291 -0.483 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845216320 JYUNDYJVUMCOGH-LBPRGKRZSA-N 426.308 -0.389 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1cnn(C)c1)n2C 735450365 YDIWVWBITJPUFP-UHFFFAOYSA-N 433.494 -0.049 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O 745736341 ALTHVESAYKAWCM-PSLIRLAXSA-N 427.841 -0.072 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2C#N)c2ccccc2O1 763807463 CEYOXTOKNPUGJS-KRWDZBQOSA-N 437.412 -0.375 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 813033641 CYRUZMLGLGVORS-UHFFFAOYSA-N 430.450 -0.006 50 20 IBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 813487901 NEFYJJXBJCPURI-KRWDZBQOSA-N 439.944 -0.262 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 915189219 FASCBLVSJCAFHH-KBPBESRZSA-N 447.517 -0.218 50 20 IBGD O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212361 GDZZXCFMJBQNNG-NSHDSACASA-N 433.284 -0.304 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778671021 ZPFAWOOQRCQXJK-OAQYLSRUSA-N 439.476 -0.415 50 20 IBGD CSCC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213960 CLPNTARLUQSELE-RZQQEMMASA-N 444.598 -0.013 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783532479 OKTYCZIXQUGVSH-GTNSWQLSSA-N 440.298 -0.147 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1784444836 GUCJKELDZBKNCG-IIBYNOLFSA-N 426.282 -0.424 50 20 IBGD CC[C@@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784548883 FVDFHYIKWWJFKY-PXZKYJSBSA-N 433.509 -0.315 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H](O)c1ccccc1 1786667692 KIMMTZGVXHVTQC-VMXMFDLUSA-N 438.289 -0.307 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981986 VBZJJVJKZMAVBH-CBVHJVASSA-N 431.298 -0.239 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccn3)C[C@@H]21 1788610510 WUYHDRLWGLYQSM-JVPBZIDWSA-N 438.488 -0.084 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1791063132 AZWWFMYMEKCVQE-AJNGGQMLSA-N 436.347 -0.964 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c(F)ccc(O)c1F 1799725840 AMYHSJFXTOBZJR-DBWKPXFBSA-N 446.215 -0.133 50 20 IBGD CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cc2C1 1800126180 UCPGMOUTZAXLDV-DLTLXFJOSA-N 425.917 -0.479 50 20 IBGD O=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)=NN1 1828861882 NVLTXYREWHLLJF-SFHVURJKSA-N 426.282 -0.524 50 20 IBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(=O)OC(C)(C)C 1830723911 UJGDJMQFJDEHTR-LIRRHRJNSA-N 449.932 -0.091 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835645235 AJGSHKQUAPRSSY-DOTOQJQBSA-N 448.948 -0.124 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840322268 SEVNFFMQDKHCBI-FZMZJTMJSA-N 426.239 -0.511 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCCN1CCN(c2ncccn2)CC1 729229222 WSVRKFQCMCWDJS-UHFFFAOYSA-N 444.496 -0.268 50 20 IBGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c2ccccc2c1=O 742473536 CLCUQXFDDDVGCB-VDERGJSUSA-N 439.428 -0.660 50 20 IBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 751361997 NARLRWGAWSUKPY-ZDUSSCGKSA-N 440.478 -0.708 50 20 IBGD C[C@]1(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC(=O)N1 753378973 MSFGYHHVEQTJSQ-LJQANCHMSA-N 438.506 -0.083 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 758043734 JRLXOSBOCNVMEB-NSHDSACASA-N 432.524 -0.855 50 20 IBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 758158749 PHYVETXPFFNIED-UHFFFAOYSA-N 435.528 -0.995 50 20 IBGD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764227384 NQYDJHUVSSINAD-QWRGUYRKSA-N 427.483 -0.762 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764428459 IEQNVNIDBNADDL-OAHLLOKOSA-N 440.478 -0.638 50 20 IBGD CCN(C)[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766635943 KDUCPEAZVLFWBR-HNNXBMFYSA-N 427.465 -0.726 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])n(C)c1=O 766645388 TZHMGWCCSVOYRE-UHFFFAOYSA-N 447.433 -0.718 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 807003846 AIIULHSNVHWDPU-UHFFFAOYSA-N 435.780 -0.220 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 815473741 HCLVTEAQMABCAK-OKILXGFUSA-N 445.428 -0.041 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784034643 KOBFEARLZKZIPI-IADYETIUSA-N 444.492 -0.524 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n(C)n1 1786028147 XODAHPCTEWEBJR-OWQGQXMQSA-N 441.492 -0.366 50 20 IBGD CN1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)C1 1788609970 HRQDWVWUBRJLRJ-LNMJFAINSA-N 444.536 -0.380 50 20 IBGD Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1F 1788611454 COZHOGJIPGJZGB-CQDKDKBSSA-N 445.455 -0.237 50 20 IBGD CC1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795732864 NWXBXBHWUCSULL-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1797586696 FAJIERYNQRYZNT-QIJJUMSOSA-N 426.297 -0.123 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1801011710 WWUAFJMNDAAVBV-QHBPRCKVSA-N 438.403 -0.946 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371663 WZHHHZBNFYCVMP-VQIMIIECSA-N 434.265 -0.179 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1813031362 QTSCDNUEXZNTDG-QBYUYEEZSA-N 425.917 -0.066 50 20 IBGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1829949131 SJSQNRZWXVWDDP-GUYCJALGSA-N 432.315 -0.246 50 20 IBGD O=C(c1cc(O)ncn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831739453 ZSLKSXIQRSNRNL-DOMZBBRYSA-N 433.234 -0.057 50 20 IBGD O=C(/C=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833072844 SJJVUYCGCYSTJM-VQKOGROQSA-N 440.261 -0.257 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564798 UYRGOHTYFUWGRF-DCGLDWPTSA-N 449.346 -0.791 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933598 CZAMPCKZHYGVSN-VGOFRKELSA-N 446.309 -0.747 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839744225 VSIMLJNSQNSINL-OXGZWMJISA-N 449.458 -0.386 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840032243 SFQQZGAIHKNBAN-QAPCUYQASA-N 448.358 -0.052 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1840183666 SLFRDTKBWMVONW-JOCHJYFZSA-N 447.536 -0.156 50 20 IBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 728596134 HCJCOCWGGOYGBU-UHFFFAOYSA-N 435.453 -0.191 50 20 IBGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746164592 YAWPAGFEEJQQNG-RNUGCUGFSA-N 431.492 -0.527 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 764225581 APWCHJXCXGUETP-BXUZGUMPSA-N 428.467 -0.732 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 764230451 INCWDNUQUSUOTM-SECBINFHSA-N 446.457 -0.195 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](O)C(C)(C)C)CC2)cc1 765176867 OUNSTISRVFNKEY-QGZVFWFLSA-N 426.539 -0.144 50 20 IBGD COC(=O)c1c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)n[nH]c1C 767851251 PUZGXHSJRUCTMO-UHFFFAOYSA-N 445.317 -0.507 50 20 IBGD O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)NNC(=O)C(=O)N1CCCC1 776246511 UDRSTJOUUUGOER-UHFFFAOYSA-N 427.458 -0.182 50 20 IBGD Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 783415231 ZOHSSJWNQQDRAI-UHFFFAOYSA-N 425.405 -0.268 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 789941971 OIRJAUSRHMWDAG-KUHUBIRLSA-N 432.433 -0.411 50 20 IBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 792020529 DTBFNZFTMYYRTH-QGZVFWFLSA-N 442.881 -0.330 50 20 IBGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)C(F)(F)F 805044742 ZMSSHVSLJSKRIU-SECBINFHSA-N 445.445 -0.369 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 810345415 HBJAOZMOCVMJAD-ZETCQYMHSA-N 447.322 -0.643 50 20 IBGD CC(C)n1nccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779602321 NXBALJCXYPRFLO-NRFANRHFSA-N 426.282 -0.099 50 20 IBGD CN1CCC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1783654159 YTRMWBRORAUBAF-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783876324 OJGXRCYBMDNIQV-KPZWWZAWSA-N 425.873 -0.676 50 20 IBGD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1793281808 XGQUSVBMYRRLPS-ZWUHOBOKSA-N 446.932 -0.156 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793312892 TVMJMSKLMMQXAA-NRWUCQMLSA-N 440.360 -0.311 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891639 BZOGDSWAOFUNEC-DGLSCOJTSA-N 446.508 -0.090 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797930358 OUFIYQOZPVXJAD-ZTENYAIWSA-N 425.530 -0.746 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)n[nH]1 1807282370 BQLMKKVNWXKCKS-BEFAXECRSA-N 435.249 -0.177 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312866 JFRMLLLQIDNZBE-INIZCTEOSA-N 431.965 -0.469 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833334349 SPEBBDZYUVSFHZ-BEFAXECRSA-N 440.884 -0.290 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1835526057 UXMBZAKVSNUMJK-VDHRVHIISA-N 434.497 -0.828 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1835927170 JWBPPGCQLHRJLG-QGZVFWFLSA-N 448.178 -0.663 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839386755 MVUQADNFUOKARN-XWCIJXRUSA-N 439.868 -0.180 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846384650 QVPVEKUIKVXPOS-UHFFFAOYSA-N 438.510 -0.972 50 20 IBGD CN(C)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 727761533 MHDWVLVJHCCFQG-UHFFFAOYSA-N 426.495 -0.433 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@@H](C)O1 732264674 WGBDNHCLKOSBBN-IAGOWNOFSA-N 443.504 -0.295 50 20 IBGD Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C 737487550 KSQRVQKPNWPXJT-UHFFFAOYSA-N 425.401 -0.213 50 20 IBGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744398267 DLSPTUXDEWSAFW-MRXNPFEDSA-N 430.509 -0.522 50 20 IBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C(=O)N1c1cnn(C)c1 745918375 NXPABBOEWVDCFA-XHDPSFHLSA-N 438.448 -0.195 50 20 IBGD O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 749176394 SXAYLYKHFZRENW-OAHLLOKOSA-N 433.490 -0.072 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N(CC)CC 764203007 DLZBUNANAGDNHT-UHFFFAOYSA-N 443.526 -0.237 50 20 IBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNC(=O)C1CC1 764512499 CTVGQELKTQCGFN-UHFFFAOYSA-N 426.470 -0.004 50 20 IBGD N#Cc1ccc(C(=O)NCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765735008 GPKMAZILRLFGCJ-UHFFFAOYSA-N 448.483 -0.107 50 20 IBGD CCCN(CCC)C(=O)CCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766635335 BMOXOOWMVAZARS-UHFFFAOYSA-N 435.485 -0.990 50 20 IBGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783429088 ZUAIPYCBVQQRPJ-KRWDZBQOSA-N 446.551 -0.099 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 801109040 UCPCPWJIFBSWEI-KRWDZBQOSA-N 431.493 -0.206 50 20 IBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CSCC(=O)N2CCOCC2)cc1 802067127 MKWTYORPEFGZNX-UHFFFAOYSA-N 430.508 -0.165 50 20 IBGD O=C(NNC(=O)C1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1338978631 BUMKLJNPOGHEPH-UHFFFAOYSA-N 445.519 -0.707 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1778787554 NVUXCLOQDYPVKA-GPCCPHFNSA-N 426.239 -0.429 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330852 HUGWQGIXMPURLM-NHYWBVRUSA-N 443.233 -0.448 50 20 IBGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982139 PBASWJYNDRZULX-QEJZJMRPSA-N 445.310 -0.833 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984346 HBSBLTFKFLZNFX-IHPCNDPISA-N 438.293 -0.618 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1792964301 SYSCBFGTJAHZMA-ZQOJQMTGSA-N 444.293 -0.841 50 20 IBGD CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793259237 HUZOQUCDZIEMRZ-YVWYUNDQSA-N 425.530 -0.745 50 20 IBGD Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810300408 YHSPPYSRLGIDDF-KBXCAEBGSA-N 449.475 -0.158 50 20 IBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1830922569 KIVJYGNLCKUGRQ-JOCHJYFZSA-N 447.536 -0.238 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831340153 BMHLQSRFUUCFLG-GXTWGEPZSA-N 445.307 -0.432 50 20 IBGD Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831829474 JJLDWBVKQFOAQS-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832451422 BFUDNASLQOEFHN-HXUWFJFHSA-N 434.323 -0.644 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc21 1836779720 WMQWQOKBYPNQJK-KBXCAEBGSA-N 443.863 -0.379 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837462789 RESUPHYEDOYAIS-VFNWGFHPSA-N 447.492 -0.818 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CSC(=N)N)CC2)CC1 1837831360 LQFVNTTWKCKWRL-UHFFFAOYSA-N 442.586 -0.015 50 20 IBGD Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838204707 ZKNKCISVSYESQI-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840149093 DPXNRCIXLXAIAV-DAFSOKFYSA-N 429.901 -0.445 50 20 IBGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)[nH]1 725741029 MBMUZZKQMZCWBW-UHFFFAOYSA-N 441.400 -0.335 50 20 IBGD NC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 730449265 KXRKMAHHXLJDGV-MRXNPFEDSA-N 429.385 -0.305 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CN1CCCC1=O 751618449 PJPLXHGUOVGLMV-UHFFFAOYSA-N 440.478 -0.901 50 20 IBGD O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1 758014677 BODWBWHXJSXGRZ-CYBMUJFWSA-N 434.409 -0.865 50 20 IBGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764226244 HBDLTEDUHUCUAQ-JTQLQIEISA-N 444.466 -0.716 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 764398166 DQQTZLUVUYULEY-GFCCVEGCSA-N 442.494 -0.427 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 764425703 RAFVECOKLVKKCO-CYBMUJFWSA-N 446.869 -0.619 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 764425704 RAFVECOKLVKKCO-ZDUSSCGKSA-N 446.869 -0.619 50 20 IBGD C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)C(=O)NC2CC2)C1=O 770223005 QSYXZYBZRKYOFB-KRWDZBQOSA-N 425.804 -0.328 50 20 IBGD O=C(NNC(=O)c1cnn(CCF)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 806306444 NEPPYRQBOOVVMK-UHFFFAOYSA-N 425.442 -0.052 50 20 IBGD O=C(NCCC1(O)CCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807266200 UBWITYIFLAZVBK-UHFFFAOYSA-N 426.495 -0.043 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1779032524 RJFNRLSNNVBPCI-DYESRHJHSA-N 447.492 -0.284 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783156056 ABNOHFHLOKZKHN-NVOBUESUSA-N 430.465 -0.914 50 20 IBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nn1 1786983899 DWULQWITQQWLRY-ZVZYQTTQSA-N 440.265 -0.928 50 20 IBGD CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1787668138 OWUUDHUXYZYBOV-SZMVWBNQSA-N 441.297 -0.554 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ncccc1F 1789052634 YQXCMTGBDPYZML-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789801828 YMDIBAFUWXNLKY-ICUGJSFKSA-N 430.977 -0.144 50 20 IBGD CCc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)co1 1798221545 IMQMOJWUEZPGLR-DPIQGUFMSA-N 428.449 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)OC(C)(C)C)C2 1801010594 KHBOCZAQBOOZMW-HBCWATKFSA-N 426.514 -0.319 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360366 KMADHQWHAMCMIR-APWZRJJASA-N 447.260 -0.110 50 20 IBGD CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812660041 XWQFPWSFFKEJHT-WIYYLYMNSA-N 438.293 -0.393 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817812773 KQWUASHBZOZNCV-MNOVXSKESA-N 435.832 -0.559 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830365535 XUDZUZFBUDPAIQ-LJQANCHMSA-N 439.900 -0.090 50 20 IBGD O=C(C1=CCCS1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831548598 NDECMZOYAJEPKW-HXUWFJFHSA-N 432.307 -0.543 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1832064470 UYMHSPFRSBPKCV-SFHVURJKSA-N 431.298 -0.044 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1834222767 UVTNWEGFIGZUEX-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1)c1ccc(B(O)O)cc1 1834797898 JKRHRHZVCUGPGT-HXUWFJFHSA-N 429.326 -0.269 50 20 IBGD Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1C 1835933750 CDEBDPXNBPUAOD-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1835935613 VRICMLJWMSPXMJ-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)COC1 1837460357 CNRCHKIFRRSGIC-NRFANRHFSA-N 447.492 -0.818 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839700859 FXDIMAVPYHEXPT-UGSOOPFHSA-N 433.889 -0.607 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2ccc3ncnn3c2)C1 1845028349 GRFVKRPGBRXQGB-UHFFFAOYSA-N 434.460 -0.213 50 20 IBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729629376 BEHRRHHSLCFKQW-ZDUSSCGKSA-N 427.512 -0.516 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl 731339708 APWZXYZZFWEXDN-RXMQYKEDSA-N 434.279 -0.061 50 20 IBGD C[C@]1(NNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCS(=O)(=O)C1 732703575 XZBDRUAUVBDIQV-LBPRGKRZSA-N 436.478 -0.071 50 20 IBGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@@H]1COCCO1 745999892 POUKQUHLFHPCKU-ZDUSSCGKSA-N 438.466 -0.975 50 20 IBGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1=O 757781204 PPOHFTHCGNJLSO-HNNXBMFYSA-N 436.446 -0.114 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 758034532 GZIOEPUHFUHXJC-VIFPVBQESA-N 438.915 -0.567 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(C#N)CCOCC3)CC2)cc1 766636092 JICCMBLFDJWJOC-UHFFFAOYSA-N 449.533 -0.231 50 20 IBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766642868 NWBDWWBOOBOADP-GOSISDBHSA-N 444.536 -0.998 50 20 IBGD CCOC(=O)CON=C(C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1cc[nH]n1 772223813 LASQAYMCUXZRJH-UHFFFAOYSA-N 444.452 -0.453 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 773069131 CSVQPCSIVXSEGP-UHFFFAOYSA-N 436.428 -0.127 50 20 IBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cn(C)c2ccccc12 773389924 IKCJQXYLPFZWHP-LBPRGKRZSA-N 437.460 -0.124 50 20 IBGD C[C@H](CNC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)S(N)(=O)=O 783408900 NUVRIUHNUMIEGR-SSDOTTSWSA-N 432.402 -0.784 50 20 IBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 793381041 JZYWWBNNHILVOD-ZDUSSCGKSA-N 449.507 -0.311 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCCC(N)=O)CC2)cc1 802561279 VTMXTJDPAKRICM-UHFFFAOYSA-N 439.538 -0.506 50 20 IBGD O=C(NNC(=O)[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 814521010 AUWVHELCHUPUNR-GXTWGEPZSA-N 446.507 -0.516 50 20 IBGD O=C1NCCc2ccc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc21 1318546409 KKXUHCSESJLATE-UHFFFAOYSA-N 430.490 -0.011 50 20 IBGD COCCn1nnc2c1CCN(C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)C2 1324443046 DTFJUSASHPKPAG-UHFFFAOYSA-N 429.485 -0.270 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779417786 NXPSOXJMWNMPBD-IHETXDGRSA-N 448.358 -0.066 50 20 IBGD CC(=O)N/C(C)=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781461532 HAKUPLPWRSODQB-DJBLJDHKSA-N 443.309 -0.466 50 20 IBGD Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C1)CCC2 1782435959 FBGZRIISJOIKHO-QFIPXVFZSA-N 438.293 -0.654 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782582052 RYWJIAJAIUNEFW-OAQYLSRUSA-N 435.249 -0.605 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984653 UYACMUWFHLXMJK-WBAXXEDZSA-N 426.234 -0.773 50 20 IBGD O=C1CSc2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cc2N1 1792983727 MFZPSDSJGZRBLM-WJNVRWDZSA-N 440.909 -0.071 50 20 IBGD CC(C)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795732701 BNQKNEYRONYAFF-CEQLMSFQSA-N 443.353 -0.310 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1cccc1C=O 1795752356 PXPLJANHADTFMD-IHSNIMORSA-N 433.509 -0.176 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)(Cl)Cl 1800584640 WIYWSFPQIPRWRU-PTEHBNRSSA-N 435.500 -0.060 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810304892 HBBYEXRPVGPHQY-IFXJQAMLSA-N 436.428 -0.512 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1)c1cccc(B(O)O)c1 1821698137 ZUZWZXQHGAWKHB-LBPRGKRZSA-N 442.262 -0.157 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1825999749 CHEXKSBIBPBHMZ-MMPTUQATSA-N 432.930 -0.041 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364381 HWRPOWNUKLJPQE-DNVCBOLYSA-N 433.933 -0.141 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1832285586 RFEQMURAUVNLRK-KXBFYZLASA-N 440.313 -0.153 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cnc(O)nc1O 1835069626 QXGKQOBPDZRFLG-CQSZACIVSA-N 427.889 -0.327 50 20 IBGD NC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840645772 LPPJAZQLGFWZQZ-HNAYVOBHSA-N 425.869 -0.545 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)cc2)n1 728732025 BLNHCOJBUZLHHS-UHFFFAOYSA-N 426.476 -0.425 50 20 IBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619075 GYRBOKTYBOQQTR-UHFFFAOYSA-N 441.510 -0.817 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 751203657 RCQHEORTXCXQIE-UHFFFAOYSA-N 432.414 -0.223 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 763662645 YLZYKVDWRDHPDC-UHFFFAOYSA-N 436.446 -0.184 50 20 IBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763823095 AHMZODJVHZQAAT-UHFFFAOYSA-N 449.489 -0.494 50 20 IBGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 764363340 NDEVRTFJOIYFIO-UHFFFAOYSA-N 430.465 -0.482 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2cncc3ccccc23)n(C)c1=O 765337830 VNEVWEKOKJFXTD-UHFFFAOYSA-N 435.444 -0.238 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3cnnn3C)CC2)cc1 816771149 ACIPTPSDMHTSPB-UHFFFAOYSA-N 435.510 -0.120 50 20 IBGD Cc1nc2ccccn2c1C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 914603948 DESCQWAUEVOEKV-UHFFFAOYSA-N 444.429 -0.341 50 20 IBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 915141086 BWHGPKWZHWSSMD-DOMZBBRYSA-N 439.490 -0.110 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)[C@H](F)Cl 1778025532 BTCONZSZJQZLCK-RSAASHCRSA-N 427.824 -0.526 50 20 IBGD CCOC(CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)OCC 1779034995 ZAAXDQGBHCSALO-NRFANRHFSA-N 449.508 -0.082 50 20 IBGD C/C(=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1)C(=O)O 1779375622 QIISBOPTQWAPNH-IVOIJLBOSA-N 445.476 -0.157 50 20 IBGD COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933633 SRVPEROTDQMCFJ-GOSISDBHSA-N 430.527 -0.905 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783939938 OFKWBGVOOYAHQH-FQEVSTJZSA-N 426.514 -0.221 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21)c1cccc(B(O)O)c1 1786982320 XHRKGMJXWQUCMB-OYSPMZIOSA-N 428.250 -0.714 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832381117 UACQKJHOGXNKPO-SJCJKPOMSA-N 445.314 -0.166 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797806 IKFXTKWFRVZDSK-FQEVSTJZSA-N 445.369 -0.041 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312241 RUFOATGFQMCDOQ-AHIWAGSCSA-N 432.315 -0.105 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836150756 WWRNTPUIWCQNQY-WFASDCNBSA-N 431.291 -0.697 50 20 IBGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1838134881 IYFOKWHQLPXTCE-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840033099 UCDONUIKUGCSHB-HWPZZCPQSA-N 445.270 -0.259 50 20 IBGD O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840193547 LBHANSSZVHABFC-GXTWGEPZSA-N 443.291 -0.049 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c(=O)nc1O 1840807782 YWDZPBVQIMOSEE-GUYCJALGSA-N 432.836 -0.752 50 20 IBGD O=C(COCC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NCc1cccnc1 727765021 ZJKSXBUETOUTQR-UHFFFAOYSA-N 434.478 -0.531 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 729276230 ZUCGYRSIFOMEEX-TZMCWYRMSA-N 432.524 -0.685 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)C1=O 748545342 WGTFTBAUXGAOKY-UHFFFAOYSA-N 426.389 -0.846 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)N2CCOCC2)cc1C 760213332 NMSTYNSQVBBOQN-OAHLLOKOSA-N 441.510 -0.711 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1C(=O)OC(C)(C)C 764226390 IBFWMTLZFVNIBP-LLVKDONJSA-N 442.494 -0.026 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 766796222 IHCJMGZXSWCORA-UHFFFAOYSA-N 428.467 -0.508 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H](Br)C(C)(C)C)n(C)c1=O 768275001 IHMDKFLLHURDHJ-JTQLQIEISA-N 429.275 -0.609 50 20 IBGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 771605124 PINSDTUNYGYUNG-UHFFFAOYSA-N 446.894 -0.387 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 792802320 XVLQHCBOPVVZKX-IBGZPJMESA-N 429.433 -0.300 50 20 IBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(F)cc1C 793027797 ZKKXOUODONOBLZ-VIFPVBQESA-N 432.430 -0.666 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 914613510 DDAWWMQFGAKNKC-UHFFFAOYSA-N 443.489 -0.019 50 20 IBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916126692 FBWJDEDLHCEVON-UHFFFAOYSA-N 430.508 -0.732 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778416218 IHVPACZGRPDLMN-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C1(O)CCC1 1779028266 BBOGTDNTGPQVBB-VLIAUNLRSA-N 431.493 -0.320 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1779033699 BPGGIJKGOFMLPK-BTYIYWSLSA-N 431.493 -0.055 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1779373153 IAGAVLDZHRIMRJ-OXQOHEQNSA-N 442.480 -0.896 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783344078 YIFNOBVOZZTYHM-SMDDNHRTSA-N 442.247 -0.285 50 20 IBGD CCN1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1785642183 LABYXZLFRNPYHB-QFIPXVFZSA-N 429.326 -0.458 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791292253 LIOZQHZCXYJNCX-JYJNAYRXSA-N 440.541 -0.072 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1Cl 1792359760 UUSFWNNCORSHIX-XOIINTDNSA-N 429.669 -0.068 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1792868852 RZAKRFZBYVAYOS-DYNIEEOBSA-N 431.287 -0.841 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795732915 SIWUIVRWRKCLLP-KMOPNRPKSA-N 444.293 -0.841 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)o1 1795734223 KABWXYFOQRRYAT-CCWDJLKJSA-N 441.249 -0.565 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3N1)C2)c1ccc(B(O)O)cc1 1795736904 PWFXIAWUOOURBD-JWWGGVBKSA-N 435.289 -0.394 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)COC3)C2)c1cccc(B(O)O)c1 1795738784 FXTSEUZXAHODIQ-CEQLMSFQSA-N 436.273 -0.086 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)o1 1795739224 SBODMMIPZXAGGP-CCWDJLKJSA-N 441.249 -0.565 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797973554 ODTAMIVJIRESIY-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439481 BREXSWOLULPUMQ-YIYPIFLZSA-N 437.522 -0.382 50 20 IBGD COC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348149 FJPUJOLKHQSOPL-LBPRGKRZSA-N 432.267 -0.595 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479867 VTSWBANISBIEAC-MRXNPFEDSA-N 448.310 -0.170 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085160 HQWMSRDAPXWXBL-WDEREUQCSA-N 439.542 -0.125 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1831871058 LOGSOONSGQOGLA-IRXDYDNUSA-N 438.573 -0.428 50 20 IBGD C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932007 KIDXPEYVQUATDH-LJQANCHMSA-N 438.236 -0.352 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836013038 JPILPCMOQZTVKF-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1837456099 CKMWWQQKOLTHFE-IBGZPJMESA-N 446.489 -0.475 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459381 FCAPMOLIPAMQMH-BTYIYWSLSA-N 448.524 -0.905 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)n1 1844354975 QIYCIEHSISVTPK-UHFFFAOYSA-N 432.525 -0.137 50 20 IBGD Cc1cc(NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 11076296 WZOSFBOYTPZYJU-UHFFFAOYSA-N 445.436 -0.091 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1c(C)nc2nc(N)nn2c1C 12702267 WTOVMOHLKDXHEU-UHFFFAOYSA-N 445.509 -0.071 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 725872295 DEXFMPUPBLCENG-UHFFFAOYSA-N 446.537 -0.189 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 729274781 CUZAOUMWNBHSHN-NSHDSACASA-N 444.491 -0.543 50 20 IBGD O=C(CSc1nnnn1CC(F)(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1 729966847 ULRUNLWEKWUCMV-UHFFFAOYSA-N 428.360 -0.236 50 20 IBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743831379 VZJUTWHYJGYHFX-GBOPCIDUSA-N 436.446 -0.595 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc2c1=O 748552832 LXCHAGVWKUCNQO-UHFFFAOYSA-N 433.450 -0.718 50 20 IBGD CCc1sc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1C 756453492 XLXZUKVIJURADB-UHFFFAOYSA-N 443.507 -0.365 50 20 IBGD CS(=O)(=O)CCNC(=S)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 764519620 SRGAQRQIVDNWBL-UHFFFAOYSA-N 448.014 -0.003 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(C#N)cn2C(C)(C)C)n(C)c1=O 765313846 VXFYRXIEERVKDT-UHFFFAOYSA-N 441.452 -0.285 50 20 IBGD Cn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O 765753192 XIACVPQEPJLHFY-UHFFFAOYSA-N 448.911 -0.684 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCc4n[nH]cc4C3)nc2)CC1 767115223 FZJGVURCMPXSIA-CQSZACIVSA-N 434.526 -0.076 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1 807581115 PFVDRUWREMVVRZ-AWEZNQCLSA-N 446.551 -0.229 50 20 IBGD COC(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 810592212 LFPWUEOXZYRTAF-UHFFFAOYSA-N 448.823 -0.665 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@H](B(O)O)C3)CC2)cc1 864234914 YUAKPTMJPXWWBQ-INIZCTEOSA-N 437.327 -0.317 50 20 IBGD O=C(COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1cccs1 1115836790 BKKPWYPXIKDJKF-QWRGUYRKSA-N 429.476 -0.912 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779056158 WHUCBGWUEQUVEQ-QVKFZJNVSA-N 439.281 -0.900 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779940213 GEBQLRFTYMCBAZ-VLXJIEOASA-N 439.900 -0.043 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783619668 QPHJAWLTPWPOTO-FQEVSTJZSA-N 426.433 -0.457 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783874568 IZDHHGOVPAOVJO-LPHOPBHVSA-N 430.933 -0.766 50 20 IBGD C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784485452 MJANHPBXWOXYGO-USJZOSNVSA-N 429.477 -0.683 50 20 IBGD C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(F)(F)F 1786983352 OBXAHSQTUZKXSU-OWCBBSPXSA-N 444.215 -0.727 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnc(Cl)c1 1794214351 CNUXVZDHBGMNSJ-DRXBFXEBSA-N 445.867 -0.355 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798267614 RREYHEXKJMPRPO-UZTWBRENSA-N 434.453 -0.999 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1Cl)C2 1801011801 GEXWEEACOSHMGE-DRXBFXEBSA-N 426.905 -0.350 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811458450 PUUPYJSPJSOOSN-FOIQADDNSA-N 441.492 -0.143 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1813068634 PHEXGOSPLSGUIO-OXQOHEQNSA-N 446.508 -0.087 50 20 IBGD O=C(CCn1ccnn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813430004 BMBTXNUZMTWXJC-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1819799421 BZGZVYKDRCFMKD-VIFPVBQESA-N 428.430 -0.545 50 20 IBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828954589 ORFZXIXMIWMVTC-OXQOHEQNSA-N 438.912 -0.003 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736853 WWHNVYUQGNEALO-ACJLOTCBSA-N 441.847 -0.462 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc[nH]n3)CC2)CC1)c1cccc(B(O)O)c1 1834800192 YOBMPRILHAVTEY-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(=O)OC(C)(C)C 1835209100 XSPLKVUHMVHQAP-IFXJQAMLSA-N 449.932 -0.091 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)O1 1836901527 PVXZICRJSMYVSK-SFHVURJKSA-N 445.281 -0.913 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837320177 SGKSBCWUJYSVBR-ABAIWWIYSA-N 446.806 -0.198 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)O1 1837459466 QVNJDHPWTOLWNX-ZVGUJKQYSA-N 447.492 -0.677 50 20 IBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843808595 QCGYPJQBUVNEID-CYBMUJFWSA-N 430.852 -0.013 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732474662 SGSHQRLCTAASJI-MRXNPFEDSA-N 444.510 -0.107 50 20 IBGD Cn1c(N)c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(C)c1=O 749808013 SDQOJNNBLAEVFE-UHFFFAOYSA-N 448.505 -0.395 50 20 IBGD O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1 758014681 BODWBWHXJSXGRZ-ZDUSSCGKSA-N 434.409 -0.865 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 758046331 HKMDPWLCCFTRTG-BDAKNGLRSA-N 433.468 -0.654 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 763864675 FJMHEVKXBLWUTG-NSHDSACASA-N 445.407 -0.406 50 20 IBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 784916333 WZZKQRKLCYQANL-UHFFFAOYSA-N 427.483 -0.353 50 20 IBGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)s1 793450935 PQQCQHXIBHXHNR-SNVBAGLBSA-N 428.496 -0.190 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 810106051 IKUBMVCYYVUODF-UHFFFAOYSA-N 436.471 -0.299 50 20 IBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCc2nncn2C1)NS(=O)(=O)c1cccnc1Cl 816873564 JZAGSQBISLRSKD-QWRGUYRKSA-N 441.901 -0.207 50 20 IBGD Nc1nccnc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 821877196 FYJHPSXQAFEAKM-UHFFFAOYSA-N 434.478 -0.527 50 20 IBGD O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)NNC(=O)c1ccc(Cl)cc1 844202568 ZAYNLPKIQGPVDS-UHFFFAOYSA-N 439.837 -0.386 50 20 IBGD CN1C[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 914711308 UUTRGRDKYCQQOE-OAHLLOKOSA-N 438.506 -0.734 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 919961228 XYBXRHBJQSEGQK-SECBINFHSA-N 444.413 -0.133 50 20 IBGD O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317977259 CQBPQTSUOJWBAY-AWEZNQCLSA-N 430.527 -0.297 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 1321173425 GJPFLNUFYISEHM-UHFFFAOYSA-N 431.474 -0.049 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790636395 JHUJGTAKWHYZEI-RHYQMDGZSA-N 434.287 -0.708 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1ccnn1 1790640712 RBRFIAMIWNRCEM-OQUILHJVSA-N 442.480 -0.869 50 20 IBGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cnn2c1 1795734392 NPPSUCONZUYGCR-HGKCTWBKSA-N 449.276 -0.765 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2)c1cccc(B(O)O)c1 1795737702 LBYDMQALYXUWHP-FAQVEIGNSA-N 448.288 -0.540 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ncn1)C2)c1cccc(B(O)O)c1 1795740271 MQHCJLJXDBLFRJ-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798155009 CXBIVOKRBPOKKY-HGKCTWBKSA-N 426.282 -0.339 50 20 IBGD CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)CCC(=O)NN(C)C)CC2)CC1 1802338546 NDKQERCZTSJUJV-BCDXTJNWSA-N 434.585 -0.222 50 20 IBGD COC(OC)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803346241 YDYFHSANCJYNFN-AEFFLSMTSA-N 427.266 -0.300 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375389 OHBQROGIHPPUPF-OXQOHEQNSA-N 447.260 -0.522 50 20 IBGD COC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833116156 HJNNBRFBIJGBQW-UHFFFAOYSA-N 431.342 -0.023 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833498339 XIQHAIWPOATXGM-HRAATJIYSA-N 445.369 -0.041 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C(=O)C3CC3)CC2)CC1)c1cccc(B(O)O)c1 1834800620 SVBLYUZCYYXFBD-UHFFFAOYSA-N 427.310 -0.469 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)no1 1837547382 BUWYNKAWFYBMIX-WMLDXEAASA-N 432.836 -0.296 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839145505 JXNDFAOJENTFRL-TXPKVOOTSA-N 448.900 -0.045 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842879852 ZNFWHVBNVNTOEN-STQMWFEESA-N 445.948 -0.085 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 9930647 ATPSZQYXKAFSFN-QMMMGPOBSA-N 444.318 -0.146 50 20 IBGD Cn1c(=O)c2nc(Br)n(CC(=O)NNC(=O)c3cccs3)c2n(C)c1=O 23058051 OZSMHHMJYRVIDC-UHFFFAOYSA-N 441.267 -0.281 50 20 IBGD C[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)NC2(CCCC2)C1=O 726523225 GRBPEPDXFVILRC-LLVKDONJSA-N 426.433 -0.052 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COCC(=O)NCc2cccnc2)c1 727765214 NSQCCOWILKNPGT-UHFFFAOYSA-N 449.489 -0.574 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 729275129 LPBCQZHKHSHBNM-ZYHUDNBSSA-N 438.462 -0.840 50 20 IBGD COc1cc(C)nc(NNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)n1 746625273 JIOYWWCMITXUDX-UHFFFAOYSA-N 428.496 -0.087 50 20 IBGD O=C(NCCNS(=O)(=O)c1cccs1)NNC(=O)c1ccc(-n2cnnn2)cc1 746701813 JKEPLLFLEXXNAF-UHFFFAOYSA-N 436.479 -0.354 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cn2cc(Br)cn2)on1 758054805 OAWVSLUOKSKBTK-ZETCQYMHSA-N 435.260 -0.619 50 20 IBGD CN(C)C(=O)NNC(=O)COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)N(C)C 762964876 LDEYLBFQSLXQSL-UHFFFAOYSA-N 432.441 -0.531 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1cccc(F)c1 764229792 CDUKLSGDGFLWEG-JTQLQIEISA-N 426.430 -0.657 50 20 IBGD COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C(=O)NNC(=O)CO)cc32)c1 764421934 SWLYMCHQAJLHID-UHFFFAOYSA-N 426.429 -0.095 50 20 IBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 771607310 LSWAPACYEVEAQD-UHFFFAOYSA-N 447.901 -0.404 50 20 IBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@H]3CCc4nncn4C3)cn2)C[C@@H](C)O1 814655088 SHFGBGBKHUAIAL-MCIONIFRSA-N 445.484 -0.474 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1337790011 CPEAXEWFMQYEPX-LLVKDONJSA-N 435.553 -0.375 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1779032655 PWZVPKSZFHHSGD-FQEVSTJZSA-N 426.433 -0.457 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1779033974 GZVBXLBGBBLLDI-RAWFVAKBSA-N 429.477 -0.304 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787185671 LKLRIDZQJYVIAX-CQDKDKBSSA-N 428.453 -0.981 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)C[C@@H]21 1788610865 YDMOBKRNLDJEQM-ZLIFDBKOSA-N 441.444 -0.455 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788637833 FKTHXNABJKNHHF-ARKGTOAJSA-N 434.873 -0.939 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791057755 GOAQKVPQJLHXHE-XTBFLFJDSA-N 439.115 -0.257 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1792870379 FWNKNHGUVPEUHW-NJBDSQKTSA-N 429.319 -0.060 50 20 IBGD Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1794495506 PBEXNLTWWHMSFR-DRXBFXEBSA-N 445.455 -0.617 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800229277 ASSCMVPSNGXIHN-JJAZEVLHSA-N 434.254 -0.869 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800975193 LEJGSLRMPSYBJP-SRGQWWCUSA-N 439.900 -0.036 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806824227 ZFJHBTPELQIMRK-RZQQEMMASA-N 430.509 -0.261 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830734018 ZBZFKUOZNMOURN-DNVCBOLYSA-N 437.884 -0.672 50 20 IBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1831955610 MSIATIANMMBPQM-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1833679181 QOKXGORRAPEORP-UHFFFAOYSA-N 434.324 -0.087 50 20 IBGD C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461107 OEVFNMGOTTYHBR-QFIPXVFZSA-N 443.504 -0.051 50 20 IBGD O=C([C@H]1CC(c2ccccc2)=NN1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012176 MAFCRSJDVANPTJ-HXUWFJFHSA-N 432.289 -0.050 50 20 IBGD CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844266619 KLKDVLJNMNDQEC-YDZHTSKRSA-N 433.538 -0.192 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(I)c1 739668363 LSEWHJKFHRDJAQ-SSDOTTSWSA-N 447.276 -0.462 50 20 IBGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1COCCO1 746003175 OFUNIPFEIWWUFY-CQSZACIVSA-N 443.438 -0.943 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCCN3C(=O)CNC3=O)cc2)CC1 748618298 BJELOXGJDMARQS-UHFFFAOYSA-N 438.510 -0.602 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(S(N)(=O)=O)o3)cc2)CC1 748621253 YZPBAHIXOHAFOK-UHFFFAOYSA-N 443.507 -0.380 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 756279385 AYCRXTIRWUKANA-LBPRGKRZSA-N 443.551 -0.105 50 20 IBGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758049368 ZAZPIFCSQFNAKG-TZMCWYRMSA-N 426.495 -0.225 50 20 IBGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763679420 MNYAKBIFXCYQAL-UHFFFAOYSA-N 445.457 -0.228 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)cnc2n(C)c1=O 763782501 DWNWWJAVEUNRRV-UHFFFAOYSA-N 442.457 -0.418 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 773074153 LWBNHGVLWQIFMS-UHFFFAOYSA-N 437.434 -0.271 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 786376453 RLFGWDLPAYEAEP-DTTOXWODSA-N 429.429 -0.148 50 20 IBGD COCCONC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 789339653 SSVIZFVACFLTPT-UHFFFAOYSA-N 430.483 -0.452 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797537295 HMPPEAKVYXNQDD-UHFFFAOYSA-N 437.884 -0.120 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC)NC(C)=O)C2 1782175030 AVNCDTFZRPZPAB-YKTARERQSA-N 433.933 -0.095 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782785611 PCYJLYYLOHJFTC-DYVFJYSZSA-N 428.829 -0.814 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21)c1ccc(B(O)O)cc1 1786981137 USEUFLIEUMNXKA-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787436646 RWTUHGXZWHJZRF-AVGNSLFASA-N 434.440 -0.551 50 20 IBGD N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1792558087 STRREEKXTYDOOE-HATOLVCRSA-N 433.273 -0.316 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ncc(Cl)cn1 1794538884 MMICCTILKQGKQA-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1800973554 FJPFZBZPTWGDKQ-OCVGTWLNSA-N 445.925 -0.058 50 20 IBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1807209216 LKQZRKHQOKYCRB-JXXFODFXSA-N 448.524 -0.477 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)[nH]n1 1819401929 XKNXQEHFNPLDHS-KGLIPLIRSA-N 442.436 -0.178 50 20 IBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1O 1830720161 UQYBJSAIHKFMSR-JXFKEZNVSA-N 442.896 -0.001 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1cccc1C=O 1830724579 YGWXQLNXCCFBII-SIXWZSSISA-N 427.885 -0.082 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930609 PPLVEDOGYGQNOR-GCJKJVERSA-N 446.309 -0.991 50 20 IBGD Cc1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935245 JZVSIDDEDAFZGR-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839105241 VKPAAFHVXHMVGD-ZWOKBUDYSA-N 446.976 -0.668 50 20 IBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733660396 GXKJXQVQHOOYCB-LBPRGKRZSA-N 432.524 -0.152 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 764213098 TUIAPKRDUJTRKX-UHFFFAOYSA-N 428.287 -0.067 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 764233399 WNRMTDKDUNZSRE-RMSCKQAGSA-N 444.413 -0.662 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1C 772747560 ONCZDPWQCFUIKP-UHFFFAOYSA-N 449.533 -0.327 50 20 IBGD CNC(=O)CCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 780925548 GTNLNGZYIBWTQH-UHFFFAOYSA-N 439.538 -0.635 50 20 IBGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)CCOc1ccccc1 812881626 WAVAETZOUFIECV-CQSZACIVSA-N 426.495 -0.179 50 20 IBGD O=C(NNC(=S)NCCc1cccs1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 819427785 UECMAFFHNRXKGI-CQSZACIVSA-N 425.580 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778469366 SOGWEHHYRVRKNM-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1779030454 ANDKZHCZUVLZED-HXUWFJFHSA-N 427.417 -0.604 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779103742 ADZVJXAQZYYFGM-UZWDYZERSA-N 445.281 -0.661 50 20 IBGD CCn1nc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1C 1779716290 FQYMQPOOACCONX-OAQYLSRUSA-N 441.492 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc[n+]([O-])cc2)C1 1779946022 NTEMSQGRRDRIBM-DYESRHJHSA-N 433.509 -0.180 50 20 IBGD Cc1cc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)no1 1788673167 VCPCNDAOFPEGKR-WMBCKCKVSA-N 439.277 -0.030 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1S 1792501046 KQQSCTPOAVBKAX-DRXBFXEBSA-N 442.501 -0.114 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)F)no1)C2)c1ccc(B(O)O)cc1 1795734466 IXLJEPNSWNBFNZ-DRXBFXEBSA-N 435.192 -0.191 50 20 IBGD COCCn1nccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189304 VXURHBLZMBMXBS-BCDXTJNWSA-N 426.282 -0.225 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)n[nH]1 1807283861 JLDAQHBUTYYSQY-HNAYVOBHSA-N 435.249 -0.177 50 20 IBGD N=C(N)SCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362717 HOVUQPYUDZZTLQ-QAPCUYQASA-N 441.322 -0.292 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813074824 TZFQWLDYWDAWNA-HZUJVAHNSA-N 444.536 -0.013 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]n1)CC2 1819797653 WOGCEQYVBHDLSF-QMMMGPOBSA-N 427.450 -0.201 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835922641 VIFKKYBTGZARPF-MLGOLLRUSA-N 428.808 -0.978 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937462 YDFSMAGBSZCQPN-PERKRYKHSA-N 430.310 -0.127 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840181569 DGLZWUYFTYUUJX-MORSLUCNSA-N 436.889 -0.688 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21 742034615 QWCSCEFOYRTRLH-GFCCVEGCSA-N 433.494 -0.099 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771270775 UPQVEKOISJYVSO-HXUWFJFHSA-N 433.465 -0.086 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCOCC1 790390380 PJZDFWHZKGTCFX-UHFFFAOYSA-N 443.507 -0.627 50 20 IBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)c1C 796989236 BHACBBHODSGAQA-UHFFFAOYSA-N 428.449 -0.097 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cccc[n+]1[O-] 916093012 WERIHMNJPDBVLH-UHFFFAOYSA-N 434.474 -0.265 50 20 IBGD O=C(NCCS(=O)(=O)NCc1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 916645200 IUSNVMFLFKNWNH-UHFFFAOYSA-N 444.477 -0.274 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(=O)(=O)C1CCOCC1 1322617802 QSKJWLCTEQUHJK-NSHDSACASA-N 432.524 -0.277 50 20 IBGD CCOc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783936410 MTJJMGSZGDWQIZ-HXUWFJFHSA-N 434.497 -0.308 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980207 VRTNTJGCYQQIEI-YYWHXJBOSA-N 437.305 -0.013 50 20 IBGD O=C(CCc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787106134 YXADCQMRWGFJJG-JBACZVJFSA-N 437.305 -0.013 50 20 IBGD CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291457 VOMZHPPIRJLYRR-ZSZGWDQASA-N 430.571 -0.502 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccoc3C1)C2)c1ccc(B(O)O)cc1 1795732934 RILXVNHOXWIYRC-DCXXXQMHSA-N 438.289 -0.032 50 20 IBGD CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nn1 1798754393 YVBMDMCOZGQTBF-HBCWATKFSA-N 434.497 -0.549 50 20 IBGD CC(=O)NCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475981 YEPHVUKXBXPJRR-KRWDZBQOSA-N 427.270 -0.078 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CCN1 1822479059 NVEAGTYICJSYHE-PBHICJAKSA-N 439.281 -0.078 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834527410 IFACXRUNZOPBGN-KRWDZBQOSA-N 436.557 -0.790 50 20 IBGD Cc1ccoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937427 VVHBHIALZYVJMM-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1835941539 NNZGEDINFVCTEI-UWJYYQICSA-N 448.350 -0.420 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c[nH]1 1837457916 WAJABMLELGTXJM-NRFANRHFSA-N 442.476 -0.295 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CCC1=O 1837710277 SFHQSAOQDILOEU-IBGZPJMESA-N 440.573 -0.098 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc21 1843733807 ZZCAEKVGSOVPBU-UHFFFAOYSA-N 448.288 -0.312 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(CS(N)(=O)=O)c2)n1 728733879 TZCDJSVTBLXIBA-UHFFFAOYSA-N 426.476 -0.213 50 20 IBGD Cn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c2ccccc2c1=O 742473569 DSVQNIGLBGOREW-UHFFFAOYSA-N 443.441 -0.733 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 748436356 UQHMWFNIBSUJBB-UHFFFAOYSA-N 439.428 -0.133 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCC(=O)N3C)CC2)cc1 752580094 WJPWFBLCGBIHSX-INIZCTEOSA-N 437.522 -0.930 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 763661860 QDXJXPKBCVIHKB-UHFFFAOYSA-N 440.409 -0.353 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1F 764210338 ASLUDHRWDXKMNX-JTQLQIEISA-N 425.417 -0.845 50 20 IBGD COc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1OC 764432012 HZFHIOOTRAKHST-AWEZNQCLSA-N 433.421 -0.550 50 20 IBGD Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730580 MBENRORGSMNJQF-UHFFFAOYSA-N 439.407 -0.109 50 20 IBGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919886500 RYNSDNYSEINABW-CYBMUJFWSA-N 432.524 -0.248 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778859425 LYIGJEDDYRBPQG-LUDNOHBGSA-N 442.520 -0.531 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1779031303 QZNYCCIPVURVAS-SFHVURJKSA-N 431.478 -0.519 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)nc1 1784086801 OBPSJKMAAAXRFB-YUDUHTQSSA-N 445.925 -0.322 50 20 IBGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c(O)n1 1786980985 IICZDMGHPUNZSP-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1788610387 PEOVBHJZBKCJEM-ZLIFDBKOSA-N 427.465 -0.756 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)on1 1788611744 YBBQAJDUQLYYNX-KKXDTOCCSA-N 442.476 -0.182 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n[nH]1 1788689149 IVQVTMIZJQZKJZ-SNRMKQJTSA-N 426.282 -0.766 50 20 IBGD CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)N(CC)CC 1793457602 JQTYDXVQFOHEOD-PIKOESSRSA-N 431.342 -0.310 50 20 IBGD COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794727741 ALVACEVWPSNANN-JLVBRIDZSA-N 425.250 -0.713 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccccc1 1795385083 OGRPTICBUQZTLY-WTLGNFPFSA-N 439.472 -0.378 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740962 SNWKDOZULUWJPM-VYCZESIESA-N 426.282 -0.664 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCC2 1797514786 KXGZWIPZNTXDPD-IVWMJMPLSA-N 439.476 -0.655 50 20 IBGD Cc1nnsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750465 APHZREAVJQKAIA-GNXNZQSNSA-N 431.478 -0.638 50 20 IBGD CN1CCN(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798439406 YZAOTYYQFFTGMG-BJWYYQGGSA-N 443.552 -0.426 50 20 IBGD CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359805 GOHVEQBPKGDVIE-YGRLFVJLSA-N 430.295 -0.427 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cnnn1 1826987034 OBJDUODKAXJCBE-WDEREUQCSA-N 435.514 -0.324 50 20 IBGD COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1831383739 TUZMAECHFAQXTF-HXUWFJFHSA-N 426.514 -0.758 50 20 IBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cnn2c1 1836945051 YSUDWFWIOMAZLJ-BEFAXECRSA-N 437.884 -0.293 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839142314 MBHSPEZBKBFURT-AUUYWEPGSA-N 427.885 -0.225 50 20 IBGD Cc1ccccc1OCCCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765722173 UODBBUXPNWCFRC-UHFFFAOYSA-N 428.449 -0.251 50 20 IBGD COCc1noc(CN2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 781958855 YOUJXAVTRFAQAV-UHFFFAOYSA-N 433.425 -0.297 50 20 IBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c2ccccc2c1=O 913573001 DKOMHKOYPUCGIT-UHFFFAOYSA-N 440.441 -0.455 50 20 IBGD Cc1cnn(C)c1C=NNC(=O)C[C@H](C(=O)NN=Cc1c(C)cnn1C)N1CCOCC1 1257405713 ULHYMZTVZGXQQP-MRXNPFEDSA-N 443.512 -0.538 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1779030585 CXKNICQXTZGYCA-NRFANRHFSA-N 431.493 -0.055 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783879712 ADXRYYDAIPOPLZ-QFBILLFUSA-N 428.961 -0.150 50 20 IBGD Cc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980139 MTAMFCDCQMEVNY-SNRMKQJTSA-N 426.282 -0.685 50 20 IBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nc1 1786982985 JNTUTMYHADVYNZ-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610073 BEXMMZFRGOJFSI-GLFJAGTFSA-N 446.508 -0.855 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790910988 KTJDDXAYTFMNEB-ULQDDVLXSA-N 431.606 -0.896 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1791289063 HDZMZVBBMNRZQU-IHRRRGAJSA-N 428.559 -0.644 50 20 IBGD Cc1ncc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795740891 MBNHBFCZOKBQKE-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccccc1)C2 1797749715 LEFGXYNEPNFKOQ-JLVBRIDZSA-N 437.456 -0.229 50 20 IBGD O=C(CN1CCOCC1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809546485 IRHYGZOMPJYODA-UHFFFAOYSA-N 429.326 -0.457 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825181805 WCCXEHXDQRNXJN-SECBINFHSA-N 431.478 -0.367 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1830046722 IELVZEJVLUQQOV-SJORKVTESA-N 439.340 -0.050 50 20 IBGD O=C(CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)N1CCCC1 1832419669 NNDKSAJKIVZLQI-DNVCBOLYSA-N 431.917 -0.555 50 20 IBGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)cc1O 1833410127 WJNRXZUEKOQOJS-WFASDCNBSA-N 435.250 -0.114 50 20 IBGD CC1=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CCO1 1837457778 QSEKHLFNGKLFBG-NRFANRHFSA-N 445.476 -0.551 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840358006 QBYWFWUGWKYBEU-GOSISDBHSA-N 425.562 -0.024 50 20 IBGD Cc1nc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c(=O)[nH]c1C 1842182951 AMAQDPLOMPIOCE-UHFFFAOYSA-N 425.449 -0.484 50 20 IBGD O=C1Nc2c(cccc2C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1=O 1843013954 HYSHNWCVIPCTQO-UHFFFAOYSA-N 433.229 -0.368 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014933 RPGSZERBXZBVHJ-HNNXBMFYSA-N 436.277 -0.603 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1OC 28752133 AKLYFWCLLSFTFL-CQSZACIVSA-N 433.509 -0.251 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 728178553 CLXCJVWVVSVGIQ-HNNXBMFYSA-N 446.551 -0.194 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 728370017 PAYYERQGSSQDGU-UKRRQHHQSA-N 429.520 -0.188 50 20 IBGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742239879 HFTLZQGUJDXDAX-KVRLPLMBSA-N 449.489 -0.708 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 755937779 MQSFJKYVKMNNCS-GFCCVEGCSA-N 447.477 -0.365 50 20 IBGD COc1ccc(C(=O)NNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(OC)c1 786117406 JNNQWCRPCBEXCE-UHFFFAOYSA-N 447.452 -0.980 50 20 IBGD Cc1cnc(COCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 794742629 URKGBHJESDCNBV-UHFFFAOYSA-N 438.462 -0.018 50 20 IBGD Cc1c(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C 795169761 WUMIUIURULZJNX-UHFFFAOYSA-N 446.489 -0.052 50 20 IBGD COC(=O)N(C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 804125561 HDLXYPGJZAWMRE-LLVKDONJSA-N 430.439 -0.900 50 20 IBGD O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779016932 VKLKCLADZSUYSB-KURUZVKSSA-N 428.298 -0.718 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782691095 IPOTXAXBHZGLPH-VGSWGCGISA-N 431.342 -0.212 50 20 IBGD CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979645 GZULUZIMDDDDOE-NGODJESCSA-N 436.339 -0.882 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21 1788607733 CGCZCOPDWVZHCS-OYYDLILQSA-N 443.460 -0.395 50 20 IBGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607881 RXDSASLPBCXSTQ-OSMBCOQSSA-N 433.509 -0.315 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc(Cl)nc1 1792368470 VANOOCKGVRQFRF-MIFYACCESA-N 430.657 -0.673 50 20 IBGD Cc1ncccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793917922 BEDFMURJYNBFNS-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnoc1C1CC1 1795005889 CDHNTWYQOYWKQV-JLVBRIDZSA-N 425.250 -0.251 50 20 IBGD O=C(CCN1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795292506 QNPKRXYHPMRIDW-RMFSNUHRSA-N 429.326 -0.554 50 20 IBGD COCCn1nccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191101 ZKMRMEPUKGUEME-BCDXTJNWSA-N 426.282 -0.225 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)N1CCN(C)CC1 1799348755 OTHPBQMNXBDFCV-RMEBNNNOSA-N 435.338 -0.098 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1807366861 PEPNQBSUVHVSMX-ZWOKBUDYSA-N 436.277 -0.783 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835922634 VIFKKYBTGZARPF-BLLLJJGKSA-N 428.808 -0.978 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076465 PHKVRNPLGVGWEH-XJIUQZFPSA-N 434.331 -0.803 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199875 XOAMHYKFXFLZNC-PGUXBMHVSA-N 439.282 -0.420 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 16236904 BWDYSPOSXYEQMC-ZDUSSCGKSA-N 442.453 -0.125 50 20 IBGD COc1cc(OC)c(OC)cc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 254392150 QMPYKTITCMLIFZ-UHFFFAOYSA-N 430.421 -0.390 50 20 IBGD CCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c2ccccc2c1=O 733885202 UNAZJWLHWNXHFH-CQSZACIVSA-N 428.493 -0.022 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N3CCOCC3)c2)CC1 745992934 OBVNGWPWSYWZJM-UHFFFAOYSA-N 439.494 -0.774 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)oc1C 754182197 MXSPWHQXDHTQES-UHFFFAOYSA-N 429.480 -0.088 50 20 IBGD CCc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1CCC(C)C 756863979 ZFRXWUPNHLFWSV-UHFFFAOYSA-N 444.496 -0.300 50 20 IBGD COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764204592 PXODDHUEZGJFLG-UHFFFAOYSA-N 429.499 -0.581 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 764429873 PDMAOWNPEKITRJ-INIZCTEOSA-N 438.396 -0.012 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(N2CCOC2=O)c1 764818817 WFJIKEZMCGXXRQ-UHFFFAOYSA-N 439.432 -0.069 50 20 IBGD COCCN1C[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)CC1=O 766641826 NEZMOWJIXURWHS-IBGZPJMESA-N 431.537 -0.245 50 20 IBGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cn2)C[C@@H](C)O1 784004197 KHHQZJRIFNLXQI-CHWSQXEVSA-N 444.448 -0.196 50 20 IBGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1S(N)(=O)=O 785066547 DNMUSMMMMLFCBS-UHFFFAOYSA-N 444.473 -0.127 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)c2ccccc2c1=O 786690024 QMTLVIFWMLKQCB-UHFFFAOYSA-N 435.444 -0.178 50 20 IBGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)nc1 916519626 NQPFCKPAZNOQFY-UHFFFAOYSA-N 436.436 -0.667 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1784444250 JLEZSECUDQYBEE-FQKPHLNHSA-N 439.962 -0.452 50 20 IBGD Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1Cl 1786983986 JDRWTPPHMMAXCL-JQFCIGGWSA-N 446.700 -0.340 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3)C[C@@H]21 1788610557 GEKJAGRVGLOIDE-SNRMKQJTSA-N 444.536 -0.236 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911496 AKRUIQYNOZNPEP-QPSCCSFWSA-N 436.347 -0.964 50 20 IBGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288547 CNQHSPZDCSCACR-DZKIICNBSA-N 434.497 -0.549 50 20 IBGD CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1C(=O)O 1794432141 PHIZIWICKKGAJX-BAESOJJISA-N 428.873 -0.035 50 20 IBGD COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794727775 FOTHTZYAQSGJBJ-JLVBRIDZSA-N 425.250 -0.713 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccccc3n1)C2 1797750859 SQJMNFOXTMNYNA-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798473699 NNVYEFYVMLMUGC-FVCICTRLSA-N 433.465 -0.614 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803138797 FCRCIFXUVNSTHA-WHOFXGATSA-N 446.855 -0.873 50 20 IBGD Cn1ncnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805276196 UTSDKFOJQSESIC-WMZOPIPTSA-N 434.265 -0.477 50 20 IBGD O=C1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)N1 1814401141 NBIVUJDIMZXLMQ-TZMCWYRMSA-N 428.279 -0.673 50 20 IBGD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n1 1815560738 OZKQPRDFBRGJBR-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817089355 BPKLDOHINWGJNV-SECBINFHSA-N 449.493 -0.057 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310338 QRKXBQZRJYZGFO-ZBFHGGJFSA-N 434.921 -0.778 50 20 IBGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CC1 1835404731 LTQQOOVQIPFCAJ-SFHVURJKSA-N 437.368 -0.116 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937463 YDFSMAGBSZCQPN-WVBUVRCRSA-N 430.310 -0.127 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132203 OCZBJNXOSKNDBM-CZUORRHYSA-N 430.303 -0.235 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ncnn3C)CC2)CC1 1837371761 GBPIYMRDXAHZFE-UHFFFAOYSA-N 435.529 -0.200 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670455 JCXDQXOHQIHCGO-ACJLOTCBSA-N 444.872 -0.729 50 20 IBGD O=C([C@H]1ON=C(c2ccccc2)O1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014348 ZNMAAZFKVXDYQT-OAQYLSRUSA-N 435.245 -0.082 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)ccc1OC 732260270 BXWCHXUBUHTBGC-STQMWFEESA-N 428.511 -0.136 50 20 IBGD O=C(CN1CCN(c2cc(N3CCOCC3)ncn2)CC1)NNC(=O)c1cccs1 738343532 OMQJQZYNLVPKNV-UHFFFAOYSA-N 431.522 -0.042 50 20 IBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739675 ZXYNWEQWWRERTL-UHFFFAOYSA-N 439.472 -0.273 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)NC(C)C)cc1OCC 798149839 RSBPBMUMPVHEJT-UHFFFAOYSA-N 430.483 -0.566 50 20 IBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 807378422 BSYOAQPBWKGCFU-UHFFFAOYSA-N 433.918 -0.134 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)CNC3=O)n1 814522039 STUOPBYAWHINMS-UHFFFAOYSA-N 431.430 -0.320 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 816879902 YLEAQDZBLGYXCF-AWEZNQCLSA-N 434.478 -0.441 50 20 IBGD CC1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 912642998 ZTPRSXAUAVBXRV-UHFFFAOYSA-N 437.478 -0.438 50 20 IBGD CNC(=O)COc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 919690733 IUFJMIXRTZEZBM-UHFFFAOYSA-N 425.405 -0.130 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777821106 CSIUGEVSPMGSTF-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778490051 VFCXEAZEZUTUAF-QFIPXVFZSA-N 434.261 0.000 50 20 IBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1O 1780748822 NCHZYLWTJLSGEZ-JOCHJYFZSA-N 440.261 -0.162 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547344 XZTVPOHSUWAUCX-ZBEGNZNMSA-N 435.955 -0.070 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1790961069 GESUVTIORMVRLW-YHQUGGNUSA-N 433.347 -0.268 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2)c1cccc(B(O)O)c1 1795737628 CXGIMYOCBSMELL-VPTLXERWSA-N 440.261 -0.646 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1796443824 MFUGPQSACANWKO-LHGZKFJMSA-N 442.480 -0.437 50 20 IBGD CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cc2C1 1800126181 UCPGMOUTZAXLDV-RMHZUWNSSA-N 425.917 -0.479 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806771700 LKSVIQFMGLOBKZ-DNVCBOLYSA-N 439.538 -0.495 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1813072171 CRCCZPXGPWDZIQ-NHAYFPRASA-N 432.525 -0.817 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830737255 FWGQPHKMGLLMRT-TYILLQQXSA-N 449.932 -0.044 50 20 IBGD O=C(c1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835930796 ZYAITYVKRHGSLL-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)on1 1835935199 GXRHCCIIRWSFDB-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(c1ccsc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935591 UVMPJXKOWZXNMD-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1835938491 WITOGCUOANZOPO-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717076 GUWBUUWENZRYRK-HUUCEWRRSA-N 435.905 -0.351 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203308 HVMFSAAWQWMRAN-JSGCOSHPSA-N 445.307 -0.432 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840150473 LMEMBNUHOGEOLX-GUYCJALGSA-N 438.930 -0.397 50 20 IBGD O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)NNC(=O)[C@H]1COCCO1 745637433 AHXYJRWNOUQKTJ-GDBMZVCRSA-N 442.494 -0.610 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Br)c[nH]2)cn1C 750663963 SPPBOQORQPXDHA-UHFFFAOYSA-N 433.288 -0.051 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 754748323 AMAWLOMMIUZBMR-ZCFIWIBFSA-N 433.386 -0.349 50 20 IBGD CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755064470 QYMIKHHXVXTTMS-IHRRRGAJSA-N 446.570 -0.206 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 758036817 VXVOZMDPBCFUDZ-SJCJKPOMSA-N 430.458 -0.178 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCc4c[nH]nc4C3)nc2)CC1 758905815 LBHSIHVZIDHSQH-AWEZNQCLSA-N 434.526 -0.076 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1CC(=O)C1)c(=O)n2Cc1ccccc1 765471802 CTVLTPDBRRQJDB-UHFFFAOYSA-N 438.444 -0.446 50 20 IBGD C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731354 RHFRPAAHBWRGIY-GFCCVEGCSA-N 440.460 -0.463 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 784005052 XZZQUTZRLZKWDG-UHFFFAOYSA-N 448.823 -0.022 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccncc2C(F)(F)F)n(C)c1=O 800693587 WESQNYIHCZWRDV-UHFFFAOYSA-N 425.327 -0.691 50 20 IBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O 914748486 HVZTYGGPLZNLSJ-UHFFFAOYSA-N 432.524 -0.486 50 20 IBGD O=C1CC[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1 915808438 QLPJMGZFSKUIAR-OAHLLOKOSA-N 438.506 -0.686 50 20 IBGD CC[S@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1778821730 UCWULUSBGWKFQG-ADSBAMQRSA-N 437.522 -0.713 50 20 IBGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029233 PEXBJEQVZDWKCF-FQEVSTJZSA-N 427.465 -0.516 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779076789 QAWGGTFBBJMAKG-RLFYNMQTSA-N 434.873 -0.435 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783354513 BWZMIIPBBXLWKD-MEDUHNTESA-N 434.287 -0.467 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786886288 SCKXNMFXGRUNOX-PEDHHIEDSA-N 433.347 -0.410 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n(C)n1 1786979542 WJZITZHFRZTCCL-IEZWGBDMSA-N 426.282 -0.685 50 20 IBGD Cc1onc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1C 1793582439 XSHJZVMRJLVAMI-FVCICTRLSA-N 428.449 -0.193 50 20 IBGD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795734606 UQQUBIRQPPJKQA-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1nc[nH]n1 1802861427 MFKCNQAXEVIPMG-ZSBIGDGJSA-N 430.494 -0.153 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1806634188 PGDOYUNNABZAOH-IMFGXOCKSA-N 436.277 -0.640 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)O1 1817470337 PGYPKWZOFIXQRD-CABCVRRESA-N 427.226 -0.496 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(N)=O)[nH]n1 1819403950 PDLWRKOZQQGBCE-AWEZNQCLSA-N 428.453 -0.020 50 20 IBGD O=C1Cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc2N1 1830731589 MORAYBGQNSFADP-OXQOHEQNSA-N 437.880 -0.149 50 20 IBGD COC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800413 GJOYRSUYJXTSKH-UHFFFAOYSA-N 431.342 -0.023 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834898167 PESAEGCGZWIAMA-UHFFFAOYSA-N 434.545 -0.777 50 20 IBGD O=C(c1cncc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935396 QKWKJNIAEJZDEP-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935802 SBLDCTDFIJVNDR-XMMPIXPASA-N 448.284 -0.512 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839349339 POFKCFCRZUCLGM-DNVCBOLYSA-N 425.869 -0.545 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccs2)C1 1842064155 NDNMRDRJSUNIJX-UHFFFAOYSA-N 442.501 -0.006 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842943907 OINGGBAENFGDOC-OLZOCXBDSA-N 445.948 -0.085 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)C2=O)cc1 728178912 MHHZBCWPIJTVRM-LIRRHRJNSA-N 438.506 -0.046 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2C(=O)CCC2=O)cc1 730068514 NZPYICQKKVBRAJ-UHFFFAOYSA-N 439.494 -0.515 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 741853703 GYLCVHPMSBQMPB-UHFFFAOYSA-N 429.458 -0.034 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 743294006 PCFPDOIPSYFKNY-GFCCVEGCSA-N 438.510 -0.028 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COCCO1 744646339 CLHULVXMSCSLPQ-CABCVRRESA-N 442.450 -0.299 50 20 IBGD CCOC(=O)NCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 751538485 IKDDSNULGDPSFA-UHFFFAOYSA-N 442.494 -0.005 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nnc(C(C)(C)C)s2)n(C)c1=O 756155147 PAEWKHNWVUJJSI-UHFFFAOYSA-N 435.470 -0.564 50 20 IBGD CCO[C@H]1COCC[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760133196 URWHQAIRUBPRMI-HOTGVXAUSA-N 442.542 -0.162 50 20 IBGD CC(C)c1ccccc1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725007 NWNPYMLUSJQZJT-UHFFFAOYSA-N 428.449 -0.217 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n(C)c1=O 769302676 UTVHIXPWMPMQEQ-UHFFFAOYSA-N 439.432 -0.875 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 772082570 PXGUPZZDLAOCJL-SSDOTTSWSA-N 429.231 -0.618 50 20 IBGD COc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1C 775912935 ZULJXUJHJVPRFH-UHFFFAOYSA-N 438.466 -0.084 50 20 IBGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783426730 NYWUFHOVVISDAR-KRWDZBQOSA-N 446.551 -0.100 50 20 IBGD Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002448 PBLYZHVGEZLBSD-UHFFFAOYSA-N 427.417 -0.004 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC2CC(NS(C)(=O)=O)C2)nc1 802419682 WBDZHIZDQPPIEN-UHFFFAOYSA-N 434.544 -0.182 50 20 IBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cn1C 808087164 NZKHVKJXMKJMGO-UHFFFAOYSA-N 426.407 -0.897 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 906478340 RBPGTMZMPOEJMG-UHFFFAOYSA-N 446.485 -0.044 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880117 ZYMRDZLHVRREHL-MGPLVRAMSA-N 426.271 -0.198 50 20 IBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cs1 1794908575 FOWCOULRDJDJTL-DRXBFXEBSA-N 430.490 -0.033 50 20 IBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2)NC(=O)NCc1ccccc1 1799094669 DAHDMSILCQTHMD-XEMDLRDOSA-N 428.493 -0.164 50 20 IBGD C[C@@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801225892 ZRKFCGNFVFBZMO-JWVYWZTKSA-N 437.305 -0.157 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1813069296 WOTQDYQOBKBKRN-UZLBHIALSA-N 447.540 -0.268 50 20 IBGD O=C(CCn1ccnn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361698 NFVHTQLDDACUPQ-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD Cc1nn[nH]c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815936393 UYAQJYFUGZDEKB-LBPRGKRZSA-N 426.267 -0.211 50 20 IBGD O=C(CCn1cncn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826605853 PSLHRGSHSIJBMV-AWEZNQCLSA-N 440.294 -0.270 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738088 LPILSPXUOFNNGS-GMBSWORKSA-N 427.885 -0.095 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832340919 OBAILJZHLAGHEX-DENIHFKCSA-N 446.309 -0.604 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707793 QOFJFBQZHOQCJH-URLQWDBASA-N 426.901 -0.208 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837486573 JVCUPYWJVMJISF-OXJNMPFZSA-N 428.913 -0.259 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838246057 GYPIUUCJDMIECL-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1840184723 CHDQMCDGIIYHRM-JOCHJYFZSA-N 448.520 -0.236 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1nc[nH]n1)c(=O)n2Cc1ccccc1 772778590 DLIANJJFDDCOPL-UHFFFAOYSA-N 437.420 -0.993 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)cc1 916580394 VAAOGMMXLBSIFN-UHFFFAOYSA-N 449.555 -0.773 50 20 IBGD C#CCN1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 919963155 HZPYRXSILDJDNN-UHFFFAOYSA-N 434.518 -0.186 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778630698 YSZGCVAMKHCGOE-FQEVSTJZSA-N 440.290 -0.167 50 20 IBGD CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)CC1 1778907997 CXWSTBJKPVMKAL-MBOZVWFJSA-N 444.960 -0.736 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1784444840 GUCJKELDZBKNCG-KKSFZXQISA-N 426.282 -0.424 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784499868 ZAXZDAMLNFIZNL-KKSFZXQISA-N 426.282 -0.657 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788452390 DEMNOPIIAZDNRD-ULQDDVLXSA-N 443.508 -0.304 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CO)o3)[C@H]2C1 1788901339 KRLQKLMQODYFNZ-IWEFOYFVSA-N 443.460 -0.323 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793612865 IFIJBWYZZDZXKF-OWLDWWDNSA-N 432.246 -0.418 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2)c1cccc(B(O)O)c1 1795739078 UJRQNDZDSFPWJB-ZSBFGKGUSA-N 435.249 -0.845 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cccc(B(O)O)c1 1795739785 MBUYOCIJTHWSAD-ZMJPVWNMSA-N 429.051 -0.740 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797926822 NOKMJAAUGHZBHO-ZUMXRPEOSA-N 446.508 -0.807 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)nn1 1801267492 IYXQHTXWULXNEF-CLLJXQQHSA-N 441.448 -0.489 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1Cc2ccccc2C1 1802193833 BWKQCGQFMKHFJR-VTYHHJSWSA-N 434.301 -0.015 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1810301992 FKRBIBFKBSZRIK-MNEFBYGVSA-N 435.488 -0.072 50 20 IBGD CN[C@@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)C(=O)O 1817369853 UMFRQCLUZQIPLV-UONOGXRCSA-N 437.501 -0.163 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827055334 XSLKVQKSYLZAEK-RBUKOAKNSA-N 427.310 -0.122 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830358515 WVNFERAJTZCHFX-HXUWFJFHSA-N 438.717 -0.299 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730525 AUMZRDJVDUTMFX-LIRRHRJNSA-N 442.900 -0.405 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832319917 FIENSOLYMMPCKW-ACJLOTCBSA-N 430.889 -0.598 50 20 IBGD Cc1nscc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833749485 OPVSAJLKPWLVQM-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834334642 DREGYUHQMQHSJX-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835747219 JITHCTJXCIZJGV-OAUYIBNBSA-N 439.340 -0.728 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1837456784 NDRRUSGQBXENML-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839516383 OMICLMYOINLMPJ-RDTXWAMCSA-N 428.873 -0.665 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1840151133 VXJVVNNPHFZJPA-HNAYVOBHSA-N 433.933 -0.141 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840474149 JPYZBNOWPVZWRO-DVOMOZLQSA-N 445.318 -0.279 50 20 IBGD CS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(F)c1 751281082 AQQIHEDMCLCYJO-UHFFFAOYSA-N 434.427 -0.470 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 756751255 PVLRDGGRIGHMDG-JTQLQIEISA-N 443.869 -0.255 50 20 IBGD NC(=O)c1nccnc1C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766670318 XEJHFKKEOVPQGL-UHFFFAOYSA-N 431.884 -0.192 50 20 IBGD CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NNC(=O)c1cc(C)c(CC)s1 781908503 MHMJOAQPXSJXHZ-CYBMUJFWSA-N 440.522 -0.240 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 913148932 HAEGKTZKPBEWCU-ZDUSSCGKSA-N 425.467 -0.534 50 20 IBGD C[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969002 RTRDGFZIWZVKFT-IIBYNOLFSA-N 433.509 -0.457 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782214189 HIAAAPHXOUGZPO-GCKMJXCFSA-N 437.541 -0.436 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782791763 WQKOQQYXXPXFDR-RXULLKCLSA-N 427.465 -0.084 50 20 IBGD Cn1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610418 QRVKFCSYRHDGAN-KKXDTOCCSA-N 441.492 -0.745 50 20 IBGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189988 PJIVANYKGBZHRI-MUJYYYPQSA-N 427.226 -0.577 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796454175 ZAXYYJRGINIDOK-SYUVJTQPSA-N 446.508 -0.423 50 20 IBGD CCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797749482 BBGVPLKJBKPXSY-FVCICTRLSA-N 427.465 -0.582 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821969253 PRPDIVLFXXPFFF-YVEFUNNKSA-N 427.270 -0.080 50 20 IBGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399441 KTJJQXILWUKFBM-UONOGXRCSA-N 437.888 -0.354 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725513 JFEJWFOXJMGIEO-VQIMIIECSA-N 437.884 -0.513 50 20 IBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1cccs1 1833027307 JJBIAGLBBOOFCO-SCLBCKFNSA-N 445.925 -0.466 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)c1cc(=O)n2[nH]nnc2n1 1834972924 LJJQLZRSSYAXMD-CQSZACIVSA-N 440.867 -0.468 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835526052 UXMBZAKVSNUMJK-CIWYCDCNSA-N 434.497 -0.828 50 20 IBGD O=C(/C=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935277 MIEKRLOXTMSHPM-WMWRJIBUSA-N 440.261 -0.257 50 20 IBGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)Cc2cccnc2)C1=O 757630157 SPNPKKUJJJVKSP-UHFFFAOYSA-N 439.432 -0.030 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc([N+](=O)[O-])cnc1O 768290177 DIBCCYCKXMZCKX-UHFFFAOYSA-N 428.405 -0.086 50 20 IBGD Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 772391980 XWNCPNNLNIALOT-UHFFFAOYSA-N 449.811 -0.235 50 20 IBGD CN(NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705408 YCSXDBLCALHAQQ-UHFFFAOYSA-N 426.430 -0.957 50 20 IBGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 784853725 NGMRYTFMOJLXAT-UHFFFAOYSA-N 426.389 -0.499 50 20 IBGD NC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 912984518 JDIQVMLUMPYEHM-UHFFFAOYSA-N 432.458 -0.119 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1779030587 CXKNICQXTZGYCA-OAQYLSRUSA-N 431.493 -0.055 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036873 HSELOYMWYILNQV-CWUFLNSKSA-N 430.465 -0.832 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1783937504 SNPQTPZQEKWUTG-HXUWFJFHSA-N 447.471 -0.315 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21 1788607732 CGCZCOPDWVZHCS-FRJURHEUSA-N 443.460 -0.395 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793313942 UOGGACZRQMRRRN-ZIQFBCGOSA-N 444.323 -0.406 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800759548 UZHLYFYATUZUGU-NBUQLFNLSA-N 449.298 -0.146 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1826089402 BXLOQIJOSIGTNO-NWDGAFQWSA-N 436.538 -0.046 50 20 IBGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834653959 NTEXKSROZDWJAE-UHFFFAOYSA-N 447.370 -0.822 50 20 IBGD CC(C)NCCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834780862 LVNUVABCHHFTOJ-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1)c1ccc(B(O)O)cc1 1834797331 DIPUIFCSFWXZQY-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397516 PJNIKCTUKAKDBQ-PBHICJAKSA-N 434.331 -0.442 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(C)c(S(N)(=O)=O)c2)n1 728720554 IGGPDBCSJJVZPN-UHFFFAOYSA-N 426.476 -0.046 50 20 IBGD NC(=O)COc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 730449264 KXRKMAHHXLJDGV-INIZCTEOSA-N 429.385 -0.305 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)Cc1cn2ccccc2n1 746642438 YDRZOUXIVFCTND-UHFFFAOYSA-N 444.429 -0.720 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O 757662200 DYGNNAPDBUQNFR-UHFFFAOYSA-N 449.431 -0.256 50 20 IBGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)[C@H]3COCCO3)ccc21 761164700 AVWJHUADYSHXTB-CYBMUJFWSA-N 434.453 -0.481 50 20 IBGD CSc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763879943 ACIQREWRRVQOCN-UHFFFAOYSA-N 429.466 -0.016 50 20 IBGD Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CO2 770247267 RWCQTOYAYJQNEM-ZDUSSCGKSA-N 426.433 -0.626 50 20 IBGD O=C(CSCC(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCOCC1 777836145 FXNXLBUEJHVQJB-UHFFFAOYSA-N 444.373 -0.595 50 20 IBGD COc1ccnc(NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 916516674 NOAGBOQTBHNQTM-UHFFFAOYSA-N 436.498 -0.342 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781058902 DYXFSYKTJHKNAG-GSHUGGBRSA-N 449.552 -0.410 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1783934629 JTELZLJXSQSYAG-INIZCTEOSA-N 438.403 -0.705 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786817966 LEAHSXAPDQYPJX-MZDBXJLNSA-N 432.525 -0.348 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4[nH]ncc4c3)[C@H]2C1 1788276745 RRGQKSUMLSSRGL-JQFCIGGWSA-N 443.508 -0.076 50 20 IBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1F 1794353873 SAEUIYDZEHSDPV-CCWDJLKJSA-N 427.241 -0.274 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)on1)C2)c1cccc(B(O)O)c1 1795737733 NZEWHBGZJPEDCA-CCWDJLKJSA-N 425.250 -0.251 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nn1C 1795740329 UGUFRILXWYSNBK-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3nccc13)C2)c1cccc(B(O)O)c1 1795741247 OHYWQWSKFAEDSU-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799344218 COGPYOPPIZHQGC-HHHUOAJASA-N 444.323 -0.406 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811458451 PUUPYJSPJSOOSN-MGPUTAFESA-N 441.492 -0.143 50 20 IBGD O=C(Cn1nccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823112988 SBIKANQVAZBEPV-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181766 LUZPPQNZJHHIIN-UONOGXRCSA-N 425.850 -0.069 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825216424 PKBFPRFJTFVQIM-HZMBPMFUSA-N 430.295 -0.427 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834874106 XXWMCBABEKNHTH-UHFFFAOYSA-N 434.545 -0.777 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1835941536 NNZGEDINFVCTEI-DYESRHJHSA-N 448.350 -0.420 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871536 KZGVJCLKXAHNIT-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD Cc1nn2cc(CC(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)nc2s1 1841786588 QXSQYLINHHXNNH-UHFFFAOYSA-N 439.306 -0.161 50 20 IBGD O=C(c1cnc2c(c1)CCNCC2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012285 ZBLOBEFBKHNTRU-UHFFFAOYSA-N 434.305 -0.420 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 746301885 VLXAHOPEXDNFLA-SNVBAGLBSA-N 437.482 -0.482 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 756205578 ISDKUIYYJSHUBP-NSHDSACASA-N 433.512 -0.988 50 20 IBGD Cn1nc(C(=O)NNC(=O)Nc2cnn(CCN3CCOCC3)c2)c2ccccc2c1=O 756827468 VERGWKOQQJDVSC-UHFFFAOYSA-N 440.464 -0.071 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccccn1 758837398 AXQYFYKZBBKVCR-GFCCVEGCSA-N 425.401 -0.008 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806979074 MFNAQRGQEQERHU-HZPDHXFCSA-N 437.456 -0.193 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cnc2n(C)c1=O 842755577 VAKNSCZBOBVGJM-UHFFFAOYSA-N 435.400 -0.402 50 20 IBGD CN(CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1339222089 YAYDMJOREXGNDG-CQSZACIVSA-N 432.543 -0.100 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785152938 QQZYZHVXBBZBLU-XUXIUFHCSA-N 426.546 -0.584 50 20 IBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786983740 YDNQOIYKKWRSGE-WDSOQIARSA-N 439.277 -0.323 50 20 IBGD CC(C)N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(C)C 1786984508 NJOUDOQAIBDSMQ-VMXMFDLUSA-N 445.369 -0.018 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1ccco1)c1ccc(B(O)O)cc1 1796284390 KAMUZPAZOJAWRG-BJWYYQGGSA-N 425.250 -0.359 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1799275145 OVEQCUUAWNGBFW-HKZUFNSLSA-N 444.279 -0.748 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799486751 QVAUQRAMYFYFKB-HBCWATKFSA-N 449.464 -0.123 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806824228 ZFJHBTPELQIMRK-YRNRMSPPSA-N 430.509 -0.261 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370425 DQWGUWGCFSLFAL-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811458453 PUUPYJSPJSOOSN-YWZLYKJASA-N 441.492 -0.143 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657119 JIZCRLHBYSRQNJ-AYZHRIAMSA-N 435.289 -0.027 50 20 IBGD CNC(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815142872 JBYXTYXVUPOTLE-AWEZNQCLSA-N 428.453 -0.150 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840156364 REYNTFWPBNDUGD-VHSSKADRSA-N 436.889 -0.688 50 20 IBGD Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 27229234 UDQVQCYWDDNXAG-UHFFFAOYSA-N 449.489 -0.450 50 20 IBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728328611 WPTMVRMHVAANPH-SWLSCSKDSA-N 441.462 -0.669 50 20 IBGD C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 756047531 NZVFRCOYWJDAMH-OAHLLOKOSA-N 432.481 -0.016 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 756275411 XNWOHMQWTCIFPP-NSHDSACASA-N 429.524 -0.034 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 756840539 WMGQNMPWKYVQGS-UHFFFAOYSA-N 445.484 -0.495 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 758047311 LGASKYWMEQWRJX-QWRGUYRKSA-N 438.553 -0.705 50 20 IBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1F 760336234 ZKGRLQBNTASWNZ-UHFFFAOYSA-N 440.438 -0.172 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)n[nH]1 763153750 MNCASKLLLXZCKT-UHFFFAOYSA-N 433.450 -0.442 50 20 IBGD COCCn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763532321 UWKOZGVIYWPTMM-UHFFFAOYSA-N 443.508 -0.172 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 764426964 WXRPKSRPKQIAFP-OAHLLOKOSA-N 425.463 -0.096 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783999418 NZLOYLQSKOOFRB-LBPRGKRZSA-N 439.494 -0.528 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCN1CCCS1(=O)=O 792890036 IJTFUSAHTHMUHT-UHFFFAOYSA-N 427.483 -0.331 50 20 IBGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H]3CCc4nncn4C3)ccc2O1 793448515 TXAQRTZGYVFODU-ABAIWWIYSA-N 435.462 -0.283 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)ccc1F 806977622 RGNSBVFXCVTZNJ-CQSZACIVSA-N 436.421 -0.177 50 20 IBGD Cn1nc(C(=O)NNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c2ccccc2c1=O 807528507 PXBBFPDPJAXETP-GFCCVEGCSA-N 436.494 -0.308 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)C[C@@H](C)O1 912918880 FYNXKDKNXNBUDM-TXEJJXNPSA-N 434.465 -0.110 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 912919901 SXHGQPBSQMVCHP-KBPBESRZSA-N 440.522 -0.186 50 20 IBGD COCC(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1333507942 KIBXZNXBGXKIBB-UHFFFAOYSA-N 425.917 -0.242 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1782172082 NLMCCYLETBQJTE-VEVIJQCQSA-N 430.889 -0.694 50 20 IBGD Cc1cnn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1787116608 IFYRFSFMSVKVLV-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(O)c3)C[C@@H]21 1788610033 XDXJHYJLMMXZBA-IGNZVWTISA-N 440.460 -0.307 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1790957932 FINSQQORDHELFJ-VLJOUNFMSA-N 445.314 -0.262 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1794332246 SEDYBJAMFAXXKG-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797749488 BEYOWUJSYUWLDH-CCWDJLKJSA-N 441.492 -0.598 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(O)n[nH]1 1807282415 BQLMKKVNWXKCKS-HNAYVOBHSA-N 435.249 -0.177 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817297316 DAWRVDMBQHOPEV-NHYWBVRUSA-N 444.322 -0.085 50 20 IBGD O=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)=NN1 1827057966 OPXYUBYYPOZIGJ-GOSISDBHSA-N 426.282 -0.524 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829714157 ZPZVOCQITQGWPD-LJQANCHMSA-N 438.293 -0.003 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934393 YHMJWOFMMQBSTM-HRAATJIYSA-N 432.282 -0.973 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139803 WVVDWNZKCQYODB-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840152305 FCCGQHBILLHVCA-GTNSWQLSSA-N 430.845 -0.788 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840153841 BXSJGOOOYCKCLZ-ACJLOTCBSA-N 428.873 -0.191 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 725741341 PEYCKYFHZOFBRU-UHFFFAOYSA-N 441.491 -0.464 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1Cl 729275120 LNWHPWDUFRUFMX-SECBINFHSA-N 426.904 -0.907 50 20 IBGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 735039685 CJFWTKXHAKULQE-VXGBXAGGSA-N 433.508 -0.378 50 20 IBGD CNC(=O)c1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 735117922 JEWQXPAJNWSBGZ-UHFFFAOYSA-N 433.494 -0.471 50 20 IBGD CCc1c(C(=O)OCC(=O)NNC(=O)c2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 754348805 WEZVDKBTQYFYKL-UHFFFAOYSA-N 445.457 -0.126 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)n1 763880043 AUZBREUXJOMXLT-UHFFFAOYSA-N 447.883 -0.124 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 764397567 AFVJBDSPKKAGRJ-GFCCVEGCSA-N 430.483 -0.489 50 20 IBGD COCCS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766659889 HXXTZQIKKAEVQZ-UHFFFAOYSA-N 446.957 -0.334 50 20 IBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNc1nccc(N2CCOCC2)n1 768245055 ZFZIBMBPYIAOCS-ZDUSSCGKSA-N 431.478 -0.005 50 20 IBGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789059543 DAPQBXPZMKDFAO-UHFFFAOYSA-N 435.198 -0.852 50 20 IBGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793446351 FSLMZEGSLQKECH-SNVBAGLBSA-N 437.434 -0.577 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 794069498 HWTMJFKZOLHBDE-UHFFFAOYSA-N 433.446 -0.442 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 795079463 AZRUUNBDBZEDQU-JKOKRWQUSA-N 428.515 -0.807 50 20 IBGD Cc1cc(I)cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 806993802 JEUSHQDYULCBPM-UHFFFAOYSA-N 430.202 -0.036 50 20 IBGD C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 817052990 YHWNEHRDOUEIQX-MQWZGVGHSA-N 436.490 -0.069 50 20 IBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 916526411 JXZXTCGPBTYVQR-XOBRGWDASA-N 446.416 -0.763 50 20 IBGD C[C@H](Cn1ccnc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916623495 VFEYCJPMEBYXCO-CQSZACIVSA-N 436.494 -0.063 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779502704 NUYFXAXVEFUXKI-CSODHUTKSA-N 449.556 -0.199 50 20 IBGD CC(C)(C)OC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784778537 XOHONSCSGPNYNG-SZMVWBNQSA-N 446.309 -0.309 50 20 IBGD O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786791126 ISKANNQVWXBXLM-QFOLPQNPSA-N 446.210 -0.619 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1797750978 YNBFBDUPEINJSB-UPHUGPLXSA-N 433.468 -0.060 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799352047 JKJJRRLTJIIEHF-UZXQKNFXSA-N 425.251 -0.118 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799394461 HJVNZLKNWYLUIK-ZJOBFFGXSA-N 432.481 -0.311 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCC1 1802191550 HHDFRGFSQSDQSN-CCWDJLKJSA-N 430.509 -0.626 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1813069293 WOTQDYQOBKBKRN-OXQOHEQNSA-N 447.540 -0.268 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CNC(=O)O2)n[nH]1 1815280854 SDGBLRPWGJDXMY-KGLIPLIRSA-N 442.436 -0.178 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C=CCN1)CC2 1819796969 KIJGQOGXQIQBKM-YGRLFVJLSA-N 427.490 -0.105 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736721 WHQVTNNYSNPPTP-KBXCAEBGSA-N 428.873 -0.665 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831345664 LNRDXJMVVSFFFQ-WFASDCNBSA-N 441.344 -0.339 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cocn1 1834308406 OMACZUIIMVFNBY-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839152422 YXDKOIPQMPSUAD-AFAVFJNCSA-N 439.340 -0.728 50 20 IBGD C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(F)(F)F 1840185318 OHZGXYLIYDLMMV-KRWDZBQOSA-N 436.431 -0.066 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808364 ULPYAHDQEXTTAR-KUHUBIRLSA-N 442.900 -0.269 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999955 MIQLJAMPISRNOM-UHFFFAOYSA-N 428.409 -0.693 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 744550319 WULCPKLIQYOKIM-KRWDZBQOSA-N 434.412 -0.017 50 20 IBGD CCc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 745987682 FCUSKQJSGHPXSY-UHFFFAOYSA-N 426.495 -0.044 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)n1 763883338 ZWXIPUPKTHAFHR-UHFFFAOYSA-N 429.405 -0.032 50 20 IBGD CCCC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 764227040 LSRKCYCXILDFNN-LLVKDONJSA-N 427.483 -0.243 50 20 IBGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 771615596 GCQFGQIKGPOMMU-IBGZPJMESA-N 427.421 -0.197 50 20 IBGD CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1Cl 781910890 UTXXZWJBEUQFKZ-CQSZACIVSA-N 426.857 -0.519 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 797368604 FEYCMHWEGPWKNY-UHFFFAOYSA-N 438.404 -0.325 50 20 IBGD CC(C)OC(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916219529 CGWULNIFEISUAP-UHFFFAOYSA-N 428.515 -0.015 50 20 IBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n[nH]c1C 917737827 RBKJNEUJCKXEOK-UHFFFAOYSA-N 430.464 -0.078 50 20 IBGD O=C(NNC(=O)c1ccc(Cl)cc1O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 918357799 PABGDINQYDJADC-SNVBAGLBSA-N 428.854 -0.028 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886230 RJFIRJKRKYINBV-GXSJLCMTSA-N 438.915 -0.476 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778241736 AWZNXGJTKVAXQD-REWPJTCUSA-N 436.273 -0.186 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779371168 KKBLXLVRKGSJAF-SPYBWZPUSA-N 439.900 -0.588 50 20 IBGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784374713 LYMTWIFERBYZOD-WDSOQIARSA-N 445.325 -0.734 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784888669 VRZDOCYWXBVUHJ-UBHSHLNASA-N 432.179 -0.140 50 20 IBGD CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786373328 VBXDZYUABVWMCG-VLSXENQKSA-N 430.266 -0.921 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1787505426 OESWJUZJPAPRFV-ABHRYQDASA-N 425.910 -0.074 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791065300 UPCSOSGEDPIWQJ-CYDGBPFRSA-N 428.283 -0.326 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1792872087 LNLZXGXGLUURHX-NFFDBFGFSA-N 427.299 -0.136 50 20 IBGD Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1794105948 ACGSFJHHUWSPRN-CCWDJLKJSA-N 444.322 -0.638 50 20 IBGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(F)c1 1794453419 DJVOMVBBXCGGLU-IVWMJMPLSA-N 437.472 -0.195 50 20 IBGD Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1F 1794493873 OTDIISMNIGRDDB-XOIINTDNSA-N 430.245 -0.936 50 20 IBGD CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797747971 ARJNGJUHWFLVGH-DDFAGTSDSA-N 446.493 -0.905 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)o1 1801011556 NSORRCCUQKQOJS-HBCWATKFSA-N 435.481 -0.186 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1819793117 KTSUBSCVVUPXIM-QPUJVOFHSA-N 438.897 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826227169 DCEWGYSWWRBZHV-NEPJUHHUSA-N 436.538 -0.046 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826937095 PXTIKCJLMBRYPF-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829995680 BRSFRAAXQPEZOM-GOSISDBHSA-N 432.468 -0.139 50 20 IBGD O=C(O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)ncn1 1833308251 MGXHEPYMOYDGRE-MRXNPFEDSA-N 439.900 -0.040 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834196998 DLJMOFZIMOIPLO-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ncon1 1836045482 XSYOSKCXPPMDFH-UHFFFAOYSA-N 427.270 -0.752 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836150753 WWRNTPUIWCQNQY-DOMZBBRYSA-N 431.291 -0.697 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840150013 DJIVYXSPBJBCIX-KSSFIOAISA-N 430.889 -0.248 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1 1842254890 NRIFEVLHPRQEQB-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012789 PGKSMRYHPBUKIB-UHFFFAOYSA-N 433.320 -0.956 50 20 IBGD COC(=O)C12CC(C(=O)N3CCCC34CN(C(=O)c3cnccc3C(=O)NN)C4)(C1)C2 1846114296 AJNCETVJRZTIDC-UHFFFAOYSA-N 427.461 -0.155 50 20 IBGD COc1cccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1O 743316836 ILURQIZPPHBNSI-SNVBAGLBSA-N 425.467 -0.121 50 20 IBGD O=C(CO)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 755390704 CKWACDKTXGJYCB-UHFFFAOYSA-N 441.510 -0.157 50 20 IBGD CCOCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755536827 ULHKOWFZWKMQFQ-LBPRGKRZSA-N 434.496 -0.659 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 761674513 HBCXWIUIMSSHIT-UHFFFAOYSA-N 432.524 -0.220 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)C(C)(C)O)CC2=O)cc1 768256454 PYEMLVNUOFJEFE-ZDUSSCGKSA-N 440.522 -0.012 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 769147643 QKAVZQJFDKSJMZ-STQMWFEESA-N 434.515 -0.080 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 787880359 GIXBYMSHROXCFR-GHMZBOCLSA-N 428.467 -0.510 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1 788333507 NSZYHWNEIMUINA-SECBINFHSA-N 428.858 -0.451 50 20 IBGD 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BMAZEJCJDXYYMN-DNVCBOLYSA-N 449.475 -0.309 50 20 IBGD CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812662268 ADRHCJXSXXQJON-LAUBAEHRSA-N 432.525 -0.013 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1826004788 QVEJRRFSYQBKSD-NWDGAFQWSA-N 434.946 -0.405 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939816 JFQREJKMOOMGKR-VGSWGCGISA-N 446.309 -0.747 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836966590 FMFCKKFGESYJEZ-KBXCAEBGSA-N 428.873 -0.665 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838818696 NLFJWDUTPBHHAD-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150550 NAESGAPZVJUXFC-XJKSGUPXSA-N 426.919 -0.869 50 20 IBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)C[C@@H](C)O1 726716721 GATSLANFAQWTCW-ZIAGYGMSSA-N 438.506 -0.132 50 20 IBGD O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307187 BFQSLYQERPLOBH-VIFPVBQESA-N 443.425 -0.434 50 20 IBGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 764244174 BWVSDOUPGXVEGH-UHFFFAOYSA-N 439.476 -0.044 50 20 IBGD C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638040 WXXHSQOSWHNKFB-FKIZINRSSA-N 428.449 -0.864 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n(C)c1=O 768722509 WSWRIFVXTQHZBD-UHFFFAOYSA-N 435.784 -0.544 50 20 IBGD Cc1c(C=NNC(=O)C(=O)NC2CC2)c2ccccn2c1C=NNC(=O)C(=O)NC1CC1 771886028 YRJYOONJQGUFKP-UHFFFAOYSA-N 437.460 -0.295 50 20 IBGD CN(C[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1)S(C)(=O)=O 796121698 MOYYUUMBPBOOMF-ZDUSSCGKSA-N 427.483 -0.041 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCC2=O)cc1 920827194 WAXBRHIYCFLSOJ-UHFFFAOYSA-N 425.467 -0.917 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777934230 MKVGZAMFNTUKKR-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1778795305 CIYLHKLCTUGEIN-DYESRHJHSA-N 447.492 -0.284 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1784449455 GRAJEWDBTNTCEC-YCRPNKLZSA-N 441.492 -0.105 50 20 IBGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1785395481 GKPIXFSWGQZSLD-JBACZVJFSA-N 437.305 -0.094 50 20 IBGD Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1786082844 BYEUXZMVBYTCMU-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)c1ccc(B(O)O)cc1 1786981749 KCARPNACUJBCGZ-CYUUQNCZSA-N 443.078 -0.350 50 20 IBGD Cc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983365 OICLVHUJZBCDHI-SNRMKQJTSA-N 426.282 -0.685 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1796441689 QNPDXYWEKHIXKA-CBKYIJDSSA-N 440.460 -0.343 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)n1)C2 1798440439 QJPWCPMCVPXYFN-JGPRNRPPSA-N 427.421 -0.548 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=N)N)C2 1798522368 RJGNRNCZKGMILY-DPIQGUFMSA-N 448.436 -0.794 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799344768 VJTBLKJQMZZEII-HHHUOAJASA-N 429.308 -0.053 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccnnc1O)CC2)c1ccc(B(O)O)cc1 1815343753 NKJMTQVTVQYOEO-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738089 LPILSPXUOFNNGS-QOKNQOGYSA-N 427.885 -0.095 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834799986 LOINSGHNBWOVRL-UHFFFAOYSA-N 439.325 -0.483 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455689 DUSMZNXZDYHTID-NRFANRHFSA-N 447.492 -0.630 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CNC(=O)c1ccco1)C2 1844264061 ZWXZEOFFWIGMMB-UHFFFAOYSA-N 426.433 -0.475 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C[C@H](C)O1 732262169 RJTOMWRYDCBXBA-KBPBESRZSA-N 429.477 -0.095 50 20 IBGD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227867 SDTLEJKXPKAPSD-SNVBAGLBSA-N 428.467 -0.380 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccn(-c3ccc(F)cc3)n2)n(C)c1=O 765721906 NZKLYWHPUYQQFT-UHFFFAOYSA-N 440.395 -0.780 50 20 IBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)Cn1ccc(O)nc1=O 765756186 MPOOWSFWFBIFBG-UHFFFAOYSA-N 434.884 -0.433 50 20 IBGD COCCN(C)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 790166593 MZRQRCGLLJGRER-UHFFFAOYSA-N 428.453 -0.938 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@H]2CCc3nncn3C2)[C@H](C)O)cc1 816874237 YIZBNVITRAWMAG-XEZPLFJOSA-N 436.494 -0.976 50 20 IBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1ccccc1=O 1779265438 PPDBIMJERKNFJP-KSFYIVLOSA-N 439.277 -0.767 50 20 IBGD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)n[nH]1 1779458835 BUFXIUZHCKVOPD-DENIHFKCSA-N 440.309 -0.232 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788195455 OOUSZYNRZZIJPQ-UGUYLWEFSA-N 431.375 -0.003 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788644920 KECLWQSUBAKQER-PQKJENKHSA-N 448.358 -0.352 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764147 AHJJIMMTHWXJSX-NXOAAHMSSA-N 429.590 -0.031 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1791256803 XUGCYKYVISYAGB-AJNGGQMLSA-N 442.900 -0.509 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795519003 SIBHOCXREAAVRN-KQXIARHKSA-N 442.247 -0.668 50 20 IBGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(F)c1 1795737188 BPUGIPKNEVEAOV-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD Cn1ncnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805274818 DZEFIYRBBPAKLW-SJLPKXTDSA-N 434.265 -0.477 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966972 OFZTYYBUIOIBOE-UHFFFAOYSA-N 429.326 -0.017 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1813031363 QTSCDNUEXZNTDG-WBTNSWJXSA-N 425.917 -0.066 50 20 IBGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cnnn1 1822853404 KYMYXYKFLSYRIC-LRDDRELGSA-N 438.257 -0.357 50 20 IBGD O=C1Cc2cccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c2N1 1830734933 AWLHCZZWICHERU-YWZLYKJASA-N 437.880 -0.149 50 20 IBGD CC(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833349373 KQVSRJIWNPAURZ-FQEVSTJZSA-N 425.574 -0.052 50 20 IBGD O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc21 1837147821 VQFOZCZONJCXRG-OXJNMPFZSA-N 437.880 -0.400 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275769 NRURLZPUVIFBNN-MYKUNDNFSA-N 440.541 -0.633 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840422906 NXMDYBSPBARAQB-QMTMVMCOSA-N 427.885 -0.095 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cscn2)C1 1843329387 QMKXXEQDJGVFNX-HNNXBMFYSA-N 429.506 -0.471 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 16785834 PDWSAHPNMUSCIT-HIFRSBDPSA-N 431.536 -0.120 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1OC 28752131 AKLYFWCLLSFTFL-AWEZNQCLSA-N 433.509 -0.251 50 20 IBGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)c1 752513567 GBRAVWNVOOPDCC-NEPJUHHUSA-N 440.478 -0.426 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 756525393 OFWMPPKJJZNJFU-JTQLQIEISA-N 435.528 -0.146 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc3ccsc3s2)n(C)c1=O 756638903 WXRUEBWJYRIANN-UHFFFAOYSA-N 434.463 -0.042 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 758042942 BWPQRXCQUQOLIQ-UONOGXRCSA-N 426.495 -0.611 50 20 IBGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 763684124 FOTXBKQLXGWWML-UHFFFAOYSA-N 447.835 -0.280 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC)c2)cc1 763860616 JCNGNVUPPMFWKZ-LBPRGKRZSA-N 432.437 -0.419 50 20 IBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)c1cccnc1 764345858 ZGKBHCSSWVIUDT-UHFFFAOYSA-N 444.473 -0.522 50 20 IBGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1ccnn1C)N1CCOCC1)c1ccnn1C 766018881 BQVQUQWWZNKJSA-GOSISDBHSA-N 443.512 -0.375 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(N(C)C)ccc1Br 766321446 NSQRLCZPZKOLBR-MRVPVSSYSA-N 443.345 -0.238 50 20 IBGD CCOC(=O)NCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 768291185 OAFSUTGJIJWXIL-UHFFFAOYSA-N 441.510 -0.805 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816887378 YIYGDTMUWVURRN-KGLIPLIRSA-N 449.512 -0.106 50 20 IBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C)n1 1779623765 NSDLDGIYIAETHJ-OAQYLSRUSA-N 426.282 -0.580 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782318425 KLDSGRCYCXJOHA-OAQYLSRUSA-N 439.476 -0.415 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1783967890 ZFSBFGDRUIYLES-BWJWTDLKSA-N 448.358 -0.352 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785147411 ATSOKWQGTJFQTC-SZMVWBNQSA-N 433.509 -0.187 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](O)CC3)C[C@@H]21 1788610858 CJXTUAINYSDXOL-FLKCQLHMSA-N 445.520 -0.171 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789092330 XJTYKBUZYIKOHG-RHYQMDGZSA-N 440.298 -0.048 50 20 IBGD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1790847604 YJYDKCSQDSGFNV-XUFZZIBESA-N 432.481 -0.764 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2)c1cccc(B(O)O)c1 1795739038 MOIJUTYPMZFBTN-CCWDJLKJSA-N 436.233 -0.580 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cncc1F)C2)c1cccc(B(O)O)c1 1795740309 QVKPZCSYXNXXRH-IVWMJMPLSA-N 431.204 -0.443 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)[C@H]1SC(=N)NC1=O 1796875134 NSQBIQFPIDJBKP-YDVLKRNPSA-N 444.322 -0.579 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1O)C2 1797749774 RHHOOLHFMSEDSX-IVWMJMPLSA-N 425.445 -0.092 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1800975963 ZOIXXKJZNFMYCO-QKGCVVFFSA-N 449.932 -0.285 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831335931 UHHLPUHWXKFFSX-HNNXBMFYSA-N 441.344 -0.338 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839963363 INOOWTVSMMVXAK-PBFPGSCMSA-N 432.315 -0.105 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 728510339 WZXYTQXTWNXTPG-QMMMGPOBSA-N 446.429 -0.774 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 729619452 QIQBFVIKMOMJRS-HUUCEWRRSA-N 425.511 -0.256 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)CNC(=O)c2cccs2)C(=O)C1 741185748 QPADUWYBHIQTJS-UHFFFAOYSA-N 439.494 -0.295 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 745480665 FMPSKETUQALEKP-BQGCOEIASA-N 426.385 -0.975 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 746197871 QSEOSPYZSIWWQU-UHFFFAOYSA-N 429.480 -0.808 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)C(=O)N1CCCC1 748246113 GCNHQYHJABVBTP-UHFFFAOYSA-N 447.311 -0.113 50 20 IBGD NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 749326435 KYTSADFBODQVKN-UHFFFAOYSA-N 429.842 -0.422 50 20 IBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 749770033 UZSJPKZAWJIGRF-QMMMGPOBSA-N 425.872 -0.194 50 20 IBGD CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764227269 MKPMJZCYSUPYET-MRVPVSSYSA-N 433.874 -0.288 50 20 IBGD CN(C)C(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 772577508 HMHODFFOFKGKKP-LLVKDONJSA-N 439.416 -0.080 50 20 IBGD COC(=O)CCN1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)[C@@H](C)C1 774658557 HVKSABMTZZZFSD-ZDUSSCGKSA-N 440.526 -0.097 50 20 IBGD CN1CCN(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 788164924 GNTTXLLNCISPQB-HNNXBMFYSA-N 425.511 -0.254 50 20 IBGD CN(C[C@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1)S(C)(=O)=O 796121695 MOYYUUMBPBOOMF-CYBMUJFWSA-N 427.483 -0.041 50 20 IBGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 815827362 WJYNIYDTAOMAMQ-MRXNPFEDSA-N 436.534 -0.193 50 20 IBGD COCCN1C[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1=O 914458156 GLLOMHCUBLZKTM-AWEZNQCLSA-N 426.495 -0.742 50 20 IBGD CC(=O)NCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915893875 CZJFURFVSFKTRO-UHFFFAOYSA-N 441.510 -0.893 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(Cl)nc3)cc2)CCN1 917252682 WRUMJFIKJMLPNH-UHFFFAOYSA-N 437.865 -0.070 50 20 IBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212389 HZVWNBYNRNQWLM-NSHDSACASA-N 438.915 -0.474 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330696 DEGZIHBPGTVZMK-CJNGLKHVSA-N 429.051 -0.500 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783991100 VOXSZCUSWDQOHD-AHDPXTMNSA-N 449.932 -0.549 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cn2cccnc2n1 1788309357 GJXOBLXFHZVFBL-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD COC(=O)C12CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)(C1)C2 1796190004 GYQXGFCVFXGHTR-JVBCMJPNSA-N 426.278 -0.039 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010521 BBBGZKHRSJZFIR-JLVBRIDZSA-N 425.530 -0.889 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1cccc1 1801254908 IRPCFDLTBQRFIY-ZXFNITATSA-N 426.477 -0.049 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813071590 UNNJQRPYOSCZTK-JTDSTZFVSA-N 447.540 -0.093 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1)[C@@H](O)CCl 1833310671 OEPIOMHKCUPJQP-AWEZNQCLSA-N 427.889 -0.327 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833447061 YXCHEMLKHPLOIG-UGSOOPFHSA-N 430.889 -0.248 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128181 RUFOATGFQMCDOQ-GDZNZVCISA-N 432.315 -0.105 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652060 YVEIONYTGDEQFK-HNAYVOBHSA-N 442.900 -0.175 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC(N(C)S(C)(=O)=O)CC2)cc1OC 109471647 KOIVDLUAVGDQTF-UHFFFAOYSA-N 428.511 -0.179 50 20 IBGD O=C(COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1ccccc1 726670831 NDFRUNDIUGINQH-UHFFFAOYSA-N 433.442 -0.001 50 20 IBGD C[C@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1cccn1 728331073 AAPZAAGFONJLGH-CJNGLKHVSA-N 445.432 -0.567 50 20 IBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)[C@@H]1COc2ccccc2O1 730584621 YOTOYFAYGGWTSE-AWEZNQCLSA-N 430.508 -0.465 50 20 IBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1 735582080 VTQOIMBXMIXNSL-HNNXBMFYSA-N 429.485 -0.340 50 20 IBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 749016834 DXRLBICGMCBTLQ-UHFFFAOYSA-N 429.455 -0.024 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)CNC(=O)c2cccnc2)C(=O)C1 763820651 OUHWRKQJHGOAPO-UHFFFAOYSA-N 434.453 -0.962 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 764231900 QVOFZPNDLHIOCB-LBPRGKRZSA-N 435.462 -0.316 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cnn(Cc3ccc(F)cc3)c2)n(C)c1=O 780235800 MREYAFUCZJHGSK-UHFFFAOYSA-N 438.423 -0.032 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 797534891 DUOTYTPEHSPDFN-OAHLLOKOSA-N 426.857 -0.327 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3nnc(C)o3)CC2)cc1 813486836 BQSGSWVCJNGYSH-UHFFFAOYSA-N 436.494 -0.617 50 20 IBGD COc1cc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OC)c1OC 914084189 XIGIMEYIUTWJPB-UHFFFAOYSA-N 443.416 -0.267 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919884659 JOAATNAZUALOBD-AAEUAGOBSA-N 432.524 -0.106 50 20 IBGD C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1337715838 HUJKAULYTJGYEK-KHXSAUHESA-N 432.524 -0.582 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035718 MFDOVKALIDYAMS-UTKZUKDTSA-N 446.508 -0.567 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779126054 YOQNHVFDALCYBC-UGSOOPFHSA-N 428.873 -0.203 50 20 IBGD CC(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n[nH]1 1780293921 QYYAYVVVMKSBBU-NRFANRHFSA-N 426.282 -0.030 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782705351 TVXIEFAUQRCJEV-JLTOFOAXSA-N 434.254 -0.629 50 20 IBGD CSCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783971529 PTPFMTHOCDHBBL-BEFAXECRSA-N 437.522 -0.757 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(N2CCOCC2)cn1 1794439727 CUXNSTAZXYMFEY-DACLVMHWSA-N 438.912 -0.279 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795520272 DGLYODTZCAGNCK-IQOUGMIPSA-N 432.241 -0.463 50 20 IBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795734090 BRMJQXICXYXWME-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nc2ccccn12 1795734620 VFKQYOUMJJCWSY-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2 1801011819 IFMISGKXQVGYOA-FVCICTRLSA-N 447.521 -0.338 50 20 IBGD O=C1CC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CN1 1815335650 IUPMXUVCJPCOQB-TZMCWYRMSA-N 442.306 -0.425 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)ncn1)CC2)c1cccc(B(O)O)c1 1815350312 PLJQBURNZVSMBG-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD O=C(c1ncn(-c2ccccc2)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728561 UTFLVXMUPJTSQN-UZLBHIALSA-N 449.895 -0.063 50 20 IBGD O=C1Cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc2N1 1830731588 MORAYBGQNSFADP-OXJNMPFZSA-N 437.880 -0.149 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(=O)C1CC1 1833279640 XKVPKAWKCKVQOA-UHFFFAOYSA-N 427.310 -0.469 50 20 IBGD NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834674039 QOLUKTZFYCRIIN-HNNXBMFYSA-N 446.390 -0.064 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927536 RQBDTQCPSJWXPQ-UGKGYDQZSA-N 446.309 -0.604 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933691 AKNRGVKVQWGHFB-FXAWDEMLSA-N 438.717 -0.156 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076464 PHKVRNPLGVGWEH-WSMBLCCSSA-N 434.331 -0.803 50 20 IBGD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1840185958 XJQUVQLRDBHUDJ-HXUWFJFHSA-N 437.497 -0.266 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c(=O)nc1O 1840807781 YWDZPBVQIMOSEE-DYVFJYSZSA-N 432.836 -0.752 50 20 IBGD C#Cc1cccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 727497706 IKAOOSWZBOICOG-UHFFFAOYSA-N 425.474 -0.177 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2c[nH]nc2C)c1 731851719 RFLLNRRRLWEMCT-UHFFFAOYSA-N 436.494 -0.060 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cnc3ccsc3c2)n(C)c1=O 765122273 DEZHFMYDCYINLI-UHFFFAOYSA-N 449.474 -0.947 50 20 IBGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)C1CCN(c2ncccn2)CC1 773003405 DRIIPHYWBYCTEN-UHFFFAOYSA-N 448.509 -0.603 50 20 IBGD CN(NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204181 BZPOPHXZJUHCAF-UHFFFAOYSA-N 434.457 -0.293 50 20 IBGD CCCCn1nc(C(=O)NNC(=O)NCCN2CCNC(=O)C2)c2ccccc2c1=O 781411237 WORXHPIPSMCELX-UHFFFAOYSA-N 429.481 -0.428 50 20 IBGD Cc1nn(C)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1Br 790291027 QRHKHZBNQGGGJA-UHFFFAOYSA-N 430.288 -0.474 50 20 IBGD O=C(CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)NNC(=O)c1ccccc1Cl 916732187 QDBIUAYXWPFDAV-UHFFFAOYSA-N 435.868 -0.606 50 20 IBGD CCc1cc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl 1319208345 QTNOSBRWMUONLF-UHFFFAOYSA-N 448.867 -0.124 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778568182 OHAZIYDTFIJKBX-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781818999 UFVMXYOZHBQXEW-FQEVSTJZSA-N 436.465 -0.380 50 20 IBGD CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1787671204 HTOWHPNGLJCELA-JYJNAYRXSA-N 435.529 -0.175 50 20 IBGD N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795739772 LPQNSDPXUVENEB-CEQLMSFQSA-N 433.273 -0.051 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441694 RBHMULLPEVTERP-OVSYPERQSA-N 444.492 -0.599 50 20 IBGD Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797749511 BRWHJGHQVQUYGJ-ZSBFGKGUSA-N 427.465 -0.907 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2nn[nH]c2c1 1800140690 UPBWPCXDVSDJNS-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(O)CC1 1801134346 APZWWMKHQQJLIM-PJVYJWHNSA-N 431.493 -0.561 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374779 NCCWOTDGOLYEDR-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813265356 QYURORYJEVFSDU-QFBILLFUSA-N 440.265 -0.563 50 20 IBGD O=C(Cn1ccnn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052976 RDZJCTYGZZZQAE-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1829949129 SJSQNRZWXVWDDP-DYVFJYSZSA-N 432.315 -0.246 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832198478 HQFFKISMKCUVHQ-QFBILLFUSA-N 437.884 -0.513 50 20 IBGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833523673 GHNWZRRYZZUHLK-HNNXBMFYSA-N 438.573 -0.558 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnccn1 1834121672 BBSJIFTWAIACAY-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834661766 UJYURSOSTCNEJP-CQSZACIVSA-N 431.541 -0.535 50 20 IBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1834821785 YHUPLGOXMFXRFU-INIZCTEOSA-N 445.270 -0.257 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835684458 FLAVNLUXAURZRB-QOKNQOGYSA-N 426.901 -0.062 50 20 IBGD O=C(C1=CCCS1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933728 BJKOKPGBUOYLPR-FQEVSTJZSA-N 432.307 -0.543 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837355906 KKPFYKYQKMXYFQ-ZBEGNZNMSA-N 431.287 -0.650 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837461547 YLGJTZZLCXCCOR-HXUWFJFHSA-N 446.439 -0.464 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1839742259 UTWTXJAEZKUDFR-CDXDBMBRSA-N 437.399 -0.361 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840185109 LGBMUPUBGNKXJK-GECPCNCSSA-N 434.497 -0.748 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 109027739 SCDCGUZZVNZZHF-UHFFFAOYSA-N 430.421 -0.492 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 740851045 MXYVQCZWNGDFTR-UHFFFAOYSA-N 440.478 -0.457 50 20 IBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C 749351476 CLWDAAXVZVNQID-INIZCTEOSA-N 441.554 -0.022 50 20 IBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1cnn(CC(=O)N2CCOCC2)c1 756833820 AVLCNFJLFZJDJJ-UHFFFAOYSA-N 440.424 -0.816 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1=O 763573290 YHYLXFOTEVLGKL-HNNXBMFYSA-N 444.400 -0.663 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccnc(Cl)n1 1788874068 NBLCXALVNAFFGO-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n(C)n1 1794652988 RNLNPORNJHSPQO-CLLJXQQHSA-N 427.465 -0.007 50 20 IBGD Nc1ccccc1/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737474 KNSJTLZALODVAJ-NEGDOWEVSA-N 435.289 -0.135 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3ccnc3c1)C2 1797751541 FMAPKHYRSARIEK-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ccnn2c1 1800028364 PGKUFXOHXQCUHX-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807617401 LCUBQNUFMIZTEC-BEFAXECRSA-N 429.485 -0.853 50 20 IBGD O=C(CCn1cncn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347589 FRRFFLNRDOLYQU-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815681939 BLBPRHCJJHJKIW-SECBINFHSA-N 442.465 -0.946 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816031535 AYKMRNDJZNBFJD-MRVPVSSYSA-N 427.450 -0.201 50 20 IBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1822895028 YULOPQASROHRJY-NXEZZACHSA-N 431.478 -0.498 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826937093 PXTIKCJLMBRYPF-MOPGFXCFSA-N 444.341 -0.808 50 20 IBGD O=C(Cn1ccnn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052977 RDZJCTYGZZZQAE-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730730 CHNOENAPSDWPKN-YMTOWFKASA-N 441.794 -0.507 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731797 PTNXWOFEQJFVBC-OXJNMPFZSA-N 428.913 -0.259 50 20 IBGD COC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797928 MWDCENDOQAJGHT-UHFFFAOYSA-N 445.325 -0.495 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccncn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798477 ADXWZSUNHSQRPQ-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCO1 1836271906 VGHGPWFXDDRFTN-OAQYLSRUSA-N 430.266 -0.869 50 20 IBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)[C@@H]1SC(=N)NC1=O 1843406602 JSLQSLGTBOTLHC-GWCFXTLKSA-N 445.505 -0.695 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C(=O)NC1CC1 9889208 DKPWXNSBFYXQOO-GFCCVEGCSA-N 432.499 -0.348 50 20 IBGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 28810538 AYDGXHPXBUUKFU-SECBINFHSA-N 434.448 -0.996 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1OCC(N)=O 764165343 XDDUWAMZCYLJEP-MRXNPFEDSA-N 428.401 -0.351 50 20 IBGD COc1ccc(C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1Br 764326942 RGIDJCZBJDCRCH-SSDOTTSWSA-N 437.272 -0.988 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 773070741 TUGYLSFRZMKTKQ-UHFFFAOYSA-N 434.453 -0.120 50 20 IBGD CS(=O)(=O)N(c1ccc(OCCNC(=O)NNC(=O)C2CCC2)cc1)S(C)(=O)=O 773722053 UAAQFBKLRORITP-UHFFFAOYSA-N 448.523 -0.079 50 20 IBGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1F 779844416 IXPYXEXYMBMKPL-UHFFFAOYSA-N 426.448 -0.357 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 920423832 GSIVTAYWXSMAPO-QWHCGFSZSA-N 425.463 -0.743 50 20 IBGD Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779030623 DOAFILGRAAKHJB-LJQANCHMSA-N 429.437 -0.937 50 20 IBGD N=C(N)SCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031457 SLDFLMROYGNZGB-GOSISDBHSA-N 435.510 -0.855 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1779034017 ISQPWWBZBPHCBU-JLTOFOAXSA-N 427.465 -0.414 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1782001271 CTXFTRRFDZOANC-XWCIJXRUSA-N 448.314 -0.173 50 20 IBGD CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979524 UZORRWGSTGUMNF-WDSOQIARSA-N 442.325 -0.758 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n[nH]1 1786984350 HRHAWEHLPTWYQO-FNHZYXHNSA-N 426.282 -0.441 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788510418 IXALCELRXJUVNX-LYCGJJAPSA-N 441.337 -0.700 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccccc1)C2)c1ccc(B(O)O)cc1 1795734306 CPSQBUJGNHFTDP-HATOLVCRSA-N 438.289 -0.214 50 20 IBGD Cn1nc2c(c1C(=O)N1C[C@@H]3COC[C@H](C1)[C@@H]3NC(=O)c1ccc(B(O)O)cc1)CCC2 1795736310 XVXRSJBTMDADGO-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)nc1)C2)c1cccc(B(O)O)c1 1795737348 UDPWQGMVCXLNDZ-UPHUGPLXSA-N 441.268 -0.264 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1cccc1)C2)c1cccc(B(O)O)c1 1795740601 CKDDVKBJRVDGQV-RMFSNUHRSA-N 425.294 -0.149 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363756 COJDSYQQUNNZMJ-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809821060 CNRDSWNYYDUMCC-MRXNPFEDSA-N 445.524 -0.877 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1826088388 FKPIJSCZUHAMST-JTQLQIEISA-N 433.494 -0.175 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826715248 BJGIQQPVUOMVHG-OAQYLSRUSA-N 443.353 -0.068 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cnnn1 1826972985 RLZKRKLDYIFUAZ-GXFFZTMASA-N 441.282 -0.704 50 20 IBGD CC1=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CCO1 1835928364 MPEOMBHFPDBSRH-OAQYLSRUSA-N 430.266 -0.869 50 20 IBGD O=C(c1ccc(F)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939134 GHJUDHVMKIEUOO-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD O=C(c1cc(O)nc(O)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199530 PKKAOKLWWBYLHJ-NHYWBVRUSA-N 449.233 -0.352 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839986198 JMTNODYHJNLAEO-SCLBCKFNSA-N 435.905 -0.433 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015278 ZYHOOLCLRGHLBG-ZWKOTPCHSA-N 426.278 -0.061 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844072393 MEMZMLDGFGDCOY-UHFFFAOYSA-N 425.449 -0.205 50 20 IBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 734824871 LCUHADSRIAUQMR-UHFFFAOYSA-N 448.546 -0.368 50 20 IBGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1COCCO1 746004112 UOROPEGQXBLMHI-CQSZACIVSA-N 443.438 -0.943 50 20 IBGD COC(=O)CCSc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764225691 CANHVINQAHPFJU-SNVBAGLBSA-N 446.507 -0.635 50 20 IBGD COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227866 SDTLEJKXPKAPSD-JTQLQIEISA-N 428.467 -0.380 50 20 IBGD COc1cc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc([N+](=O)[O-])c1O 764675706 HGVRAARSXLWGFP-UHFFFAOYSA-N 438.422 -0.266 50 20 IBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NC(CC)CC)cc1 808094122 BKNPSALGDHIQRK-UHFFFAOYSA-N 434.540 -0.011 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c(Br)nnn2C)c1 809940820 RTFKSSDFYKFSME-UHFFFAOYSA-N 431.272 -0.097 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 810414501 VMURREMMFAGEKJ-ZDUSSCGKSA-N 434.526 -0.606 50 20 IBGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 918481167 FHLIXEGPRMZZDL-LBPRGKRZSA-N 433.508 -0.202 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c1 1116089133 VBHWCXJZIRYQMF-AWEZNQCLSA-N 435.510 -0.107 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1781997754 FZFBTOLSSMTOIH-HPTBWKMGSA-N 433.347 -0.124 50 20 IBGD CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986471 DLVQXPUWNLRBBS-DKIMLUQUSA-N 436.339 -0.926 50 20 IBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793085655 CJHYSGWHURZUTJ-XLWJZTARSA-N 449.932 -0.549 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797986610 YFCSCHPFBZJELR-ZSBFGKGUSA-N 448.524 -0.499 50 20 IBGD O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c2N1 1800029042 BNFABYYWEUSCIG-CWPLJXCYSA-N 449.272 -0.622 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ncc1[N+](=O)[O-] 1801011681 YPLUUSHHIZPBON-HBCWATKFSA-N 448.480 -0.126 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1810303733 VHWHISNRGDLTFR-CJNGLKHVSA-N 435.448 -0.168 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)N1 1814046580 FXAJZJDGCYAAKW-JSGCOSHPSA-N 428.279 -0.673 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821969251 PRPDIVLFXXPFFF-SJKOYZFVSA-N 427.270 -0.080 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1830533425 NHWKVXUEZPZSTR-GUYCJALGSA-N 449.346 -0.255 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731596 MUFGKWIEYSPMLW-DOXZYTNZSA-N 426.901 -0.062 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831893735 OMZYGJLMTCZNBW-HNAYVOBHSA-N 427.885 -0.291 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cncs3)CCO2)C1 1834465341 FBNZGGQMXYCFMD-LJQANCHMSA-N 446.489 -0.475 50 20 IBGD CNCCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737111 XMUFKVQSRCMUKN-UHFFFAOYSA-N 445.568 -0.130 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839963357 INOOWTVSMMVXAK-AHIWAGSCSA-N 432.315 -0.105 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839963699 SNKSBARYOYDJOB-DOMZBBRYSA-N 441.344 -0.339 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840149836 BEXWOKDAOIFMEG-KZULUSFZSA-N 442.856 -0.501 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)N1CCN(C)CC1 1840189519 WFPLVGKDVFHDLY-KBXCAEBGSA-N 437.368 -0.118 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 731758115 HKUVYOHDXQTGQH-UHFFFAOYSA-N 443.445 -0.021 50 20 IBGD COc1ccc(NC(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCOCC1 755413132 KGQULCBLHYNLBD-UHFFFAOYSA-N 438.466 -0.084 50 20 IBGD CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758046718 JNNWOAPRBNNQMW-GXTWGEPZSA-N 430.552 -0.448 50 20 IBGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763998043 DWBLWNQSSHRAEL-UHFFFAOYSA-N 435.462 -0.126 50 20 IBGD C[C@@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C1 764227710 QSHMAJRTERAUGT-ZIAGYGMSSA-N 439.538 -0.058 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]c2c1C(=O)CCC2 766635587 FKSDQXROOOQHOM-UHFFFAOYSA-N 427.421 -0.950 50 20 IBGD COc1ccc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c2c1 766638321 FSNUJBUUMGKWPD-UHFFFAOYSA-N 425.405 -0.615 50 20 IBGD CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2C1 783524096 MSFPFAVCTAEVQH-JTQLQIEISA-N 427.483 -0.101 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 787880362 GIXBYMSHROXCFR-MNOVXSKESA-N 428.467 -0.510 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1 915240103 NRKGFXFXWPNWBN-ZDUSSCGKSA-N 439.402 -0.668 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nnc4n3CCCC4)nc2)CC1 916647971 LXZHGJYAWJZFRJ-UHFFFAOYSA-N 449.541 -0.228 50 20 IBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNC(=O)CN2CCCC2=O)cc1 920433555 VMQUKISHWQAZRY-BJIFSAINSA-N 427.461 -0.441 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779674825 YPQRAQBRVISLRM-MRUVXERFSA-N 430.421 -0.042 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782170488 NHSUVDATTAPPTI-SQGPQFPESA-N 438.717 -0.252 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1791291529 WWYWLKNMAUJOEC-ZOBUZTSGSA-N 448.524 -0.368 50 20 IBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1795116618 XVILQYSLBACETG-CULMDFNYSA-N 429.271 -0.064 50 20 IBGD CNC(=S)NCCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809970990 FZYDVBAFDGBMSC-UHFFFAOYSA-N 446.382 -0.305 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810558480 FEAFLHOBMRJANC-NXOAAHMSSA-N 426.901 -0.162 50 20 IBGD C[C@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337477 SNRRSEXYRYZKOD-ZWNOBZJWSA-N 430.295 -0.440 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1825993135 DRTCNQCJROUOCR-WEDXCCLWSA-N 429.886 -0.093 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730522 AUMZRDJVDUTMFX-KUHUBIRLSA-N 442.900 -0.405 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832380428 LIMHDGYBTOHYDA-FZKQIMNGSA-N 430.889 -0.695 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835597996 RCIXENTVTWIHHS-ZAAXVRCTSA-N 427.546 -0.811 50 20 IBGD O=C1Cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc2N1 1836784693 NIQQGYPSQRRCJG-OXJNMPFZSA-N 437.880 -0.149 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839663419 SDMZXYASECMPCL-KRWDZBQOSA-N 443.298 -0.515 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840479628 CVMUFMOLXZIVBR-HEHGZKQESA-N 445.318 -0.136 50 20 IBGD CN(C)N(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 728177530 AWKAKKMZTQLJOR-AWEZNQCLSA-N 446.551 -0.841 50 20 IBGD C[C@H](NC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1 751618625 IODBSSPNEDYVCX-NSHDSACASA-N 425.536 -0.286 50 20 IBGD CCOc1ccc(OC)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756429717 DECSYGWFXCBVRZ-UHFFFAOYSA-N 445.436 -0.306 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C(C)(C)C 761072136 KDZXRZGGVIUOIH-UHFFFAOYSA-N 442.494 -0.152 50 20 IBGD C[C@@H](CNC(=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)S(N)(=O)=O 763639785 RVYXNWHKAVHPNY-QMMMGPOBSA-N 426.373 -0.975 50 20 IBGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)CC3CC3)c2)CC1 764142147 MECAVESBQPMQIS-UHFFFAOYSA-N 437.522 -0.101 50 20 IBGD Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C)c1 764232349 SOXQLAJPNBZCHN-GFCCVEGCSA-N 436.494 -0.179 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)n3cncn3)CC2)cc1 766636547 PYMFFRZBKLWWGV-HNNXBMFYSA-N 435.510 -0.699 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)nc21 770396649 XLLFJWDEWHRYBQ-JTQLQIEISA-N 428.475 -0.817 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1-n1cnnn1 782894990 UMFCXSYUBGFMLX-UHFFFAOYSA-N 449.431 -0.114 50 20 IBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CC1 784002504 QXOYGSYOEXCCLX-UHFFFAOYSA-N 442.476 -0.063 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCC(=O)c2cnn(C)c2)CC1 795107788 FCZDDAZAMAKMDX-UHFFFAOYSA-N 435.510 -0.143 50 20 IBGD Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 802708786 JEOVZTAAUCCJKL-UHFFFAOYSA-N 428.478 -0.081 50 20 IBGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 802722210 SWRIFRSYRDDCOO-UHFFFAOYSA-N 447.516 -0.100 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1=O 916620278 YDQOPBMIMISUNN-UHFFFAOYSA-N 439.222 -0.048 50 20 IBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919886391 WDLVQQPNPPCZSW-LBPRGKRZSA-N 432.524 -0.106 50 20 IBGD Cc1cnc2c(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnn2c1 1778528611 PHEDRRHJQUTOLJ-OAQYLSRUSA-N 443.508 -0.146 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779487344 OBJBIPDYBSRJPB-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779614412 ILBQRZVPPKZOOY-IBGZPJMESA-N 434.208 -0.285 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783871535 SWMSRPGVCJDNHB-DVOMOZLQSA-N 425.935 -0.602 50 20 IBGD Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1F 1785776151 HPYRFLVWYIWOLK-XIRDDKMYSA-N 444.272 -0.545 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3nccc3c1)C2 1797751923 ZRDMNLWRZBYPEN-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797953615 AEVRUOPNMZBEDN-AYDFFVQHSA-N 435.619 -0.245 50 20 IBGD O=C(c1ccc(CO)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738676 RBQTVHPXZYWZRW-VQIMIIECSA-N 430.860 -0.012 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831330726 VGWHKZXFMUCJIS-KEYYUXOJSA-N 439.962 -0.212 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831345662 LNRDXJMVVSFFFQ-SWLSCSKDSA-N 441.344 -0.339 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901724 QIAGAEWNOBSVBZ-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD CS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822508 RLIUPJREIIUSDQ-CQSZACIVSA-N 427.317 -0.728 50 20 IBGD O=C(CCC(F)(F)F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835321724 HGFGLKFWHVORMX-GOSISDBHSA-N 444.215 -0.221 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1835940215 ZHIPIGYJEAJDNO-XKGFGPFHSA-N 444.318 -0.689 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837396801 KNWMJDMNGWNBCP-XMSQKQJNSA-N 446.309 -0.991 50 20 IBGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1838134996 MXQRQEFIIRJOBJ-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197984 ONXQFQMPRBGHMC-BBRMVZONSA-N 448.245 -0.154 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839965332 VNIVSWCTTCLGCC-ZBEGNZNMSA-N 431.287 -0.508 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1842188821 JXCIJGPORDSPBO-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728960149 UWRZLTMRNXEFKQ-UHFFFAOYSA-N 446.512 -0.897 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3nc4ccccn4c3=O)cc2)CC1 748620645 SOTLUWHCEVNKND-UHFFFAOYSA-N 445.505 -0.425 50 20 IBGD CSc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)OCCO2 764226232 GQZPNIGJOOXRHU-MRVPVSSYSA-N 432.480 -0.797 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccc3c(c2)CCC3)n(C)c1=O 764515887 QUQCNHPXRBQDHI-UHFFFAOYSA-N 427.490 -0.060 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)CC(C)CC(=O)NNC(=O)Cn2nc(C)cc2C)n1 767442595 WDWIDFIYRIAUIZ-UHFFFAOYSA-N 446.512 -0.275 50 20 IBGD Cn1nnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 787446881 YTHZNZJVSMSUOB-UHFFFAOYSA-N 444.477 -0.167 50 20 IBGD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806787337 GAMJODPRYVKZAK-NSHDSACASA-N 433.494 -0.088 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1779028118 DWKAXXQHTSKNBL-WTOQYCPUSA-N 445.520 -0.073 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1779031931 HUVCZIJIQITYSC-OAQYLSRUSA-N 439.476 -0.415 50 20 IBGD CCN(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781452605 PPQSDGFHQFUOHY-ZWDAVXSWSA-N 431.342 -0.166 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783156054 ABNOHFHLOKZKHN-CVPHQVPGSA-N 430.465 -0.914 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784559053 QHJXOZLYIOYDJI-NRFANRHFSA-N 439.476 -0.449 50 20 IBGD CCOc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nn1 1789398874 YQTXANJMIICIOV-ZOBUZTSGSA-N 448.524 -0.158 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1791291442 VJGRMZSJTCNTFF-VJANTYMQSA-N 446.552 -0.696 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)Cc3ccccc3)C[C@@H]21 1791293298 SISXZBJERYSSSB-HAGHYFMRSA-N 446.548 -0.057 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1796440638 WGSDHGVKFVUULU-NDMOTNCASA-N 428.453 -0.998 50 20 IBGD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c2cccnc21 1797575102 JKSOYCBJTKVDDA-CWPLJXCYSA-N 448.288 -0.230 50 20 IBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800187051 UCKKWZGXCFEEEY-QCMRWSPLSA-N 425.324 -0.250 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801405132 FSNDXRKRHBSFQH-MFCZKXCZSA-N 433.509 -0.189 50 20 IBGD CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812660036 XWQFPWSFFKEJHT-NQIIRXRSSA-N 438.293 -0.393 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829984586 GRORBYVIDHWWAX-LJQANCHMSA-N 438.236 -0.518 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1830046720 IELVZEJVLUQQOV-IRXDYDNUSA-N 439.340 -0.050 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225200 OWBQBUVTBCSDQK-BLLLJJGKSA-N 430.303 -0.084 50 20 IBGD COC(OC)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833389018 TVHCIDWIZRARCF-UHFFFAOYSA-N 433.314 -0.830 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1835941537 NNZGEDINFVCTEI-LAUBAEHRSA-N 448.350 -0.420 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419415 GYQBIIGNRSDXTJ-ACJLOTCBSA-N 429.857 -0.183 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837459582 SKOURNWXKNVBIN-KBXCAEBGSA-N 439.419 -0.590 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837497695 KJTRUNHZMPVOLO-JJRVBVJISA-N 438.836 -0.528 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839149513 JKDSNSDBSNWPAE-AUUYWEPGSA-N 442.900 -0.269 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839152289 VCZUZICGJYSJOX-IAGOWNOFSA-N 436.340 -0.481 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839214949 OFFXSMIPDOMILS-KXBFYZLASA-N 427.574 -0.085 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)NC2(CCCC2)C1=O 726523227 GRBPEPDXFVILRC-NSHDSACASA-N 426.433 -0.052 50 20 IBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 728854153 NXXFYTBMJYKATP-UHFFFAOYSA-N 445.505 -0.107 50 20 IBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730578454 RHTMDOUTZKVJTF-UHFFFAOYSA-N 426.524 -0.035 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732474933 ZRKCISSXQTWYEN-HNNXBMFYSA-N 439.494 -0.244 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CS(=O)(=O)C2CCCC2)CC1 735117208 CUUOPZXKARVLOQ-UHFFFAOYSA-N 445.567 -0.182 50 20 IBGD CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(N)(=O)=O 763575443 VIFAEOQICLSCIH-OAHLLOKOSA-N 448.457 -0.178 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)COc1ccccc1O)CC2 764278634 SOLKXXQAWUHBAE-UHFFFAOYSA-N 448.457 -0.584 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc3c(F)cccc3c2)n(C)c1=O 794392949 LBYHWTPDRUDADL-UHFFFAOYSA-N 425.380 -0.418 50 20 IBGD Cn1cc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)cn1 796529276 NJBWKZSGYLOFFK-UHFFFAOYSA-N 429.499 -0.005 50 20 IBGD COc1nc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779740293 LELUWWCRKZHTDE-JOCHJYFZSA-N 439.277 -0.164 50 20 IBGD O=C(CC12CCCN1CCC2)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781133710 SVRREZPHBQBUSW-QHCPKHFHSA-N 441.337 -0.172 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(Cl)cn1)C2)c1cccc(B(O)O)c1 1795737404 DDODQKUPCOULTL-ZSBFGKGUSA-N 432.673 -0.880 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)N1CCN(C)CC1 1799185789 NLZZCXZCJGHDPA-SBJFKYEJSA-N 435.338 -0.098 50 20 IBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1799279164 ADAJCRCWVHYXKB-YXPYIKCWSA-N 426.341 -0.901 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800223069 IBXGTFFLGPCDMC-OAFZBRQQSA-N 446.552 -0.134 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371658 WZHHHZBNFYCVMP-APWZRJJASA-N 434.265 -0.179 50 20 IBGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n[nH]1 1836146896 MESLVEMMYOHRHL-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315523 GLQBWRDLCWTVES-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921560 NQYVEFXFKVZQJE-UHFFFAOYSA-N 431.298 -0.756 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839144383 XBCRPFBXPFTHGC-WFASDCNBSA-N 427.822 -0.815 50 20 IBGD O=C(Cn1ccncc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839665015 XCHJAECVCMNTIJ-HOCLYGCPSA-N 447.261 -0.610 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1cnnn1 1840475889 NCHCBKPVEUGCGE-SWLSCSKDSA-N 431.291 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1846384259 WAXFTEWCQYWPIP-CYBMUJFWSA-N 446.508 -0.431 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742535665 UJHAZTRSKSZDNJ-XOUADPBQSA-N 435.458 -0.596 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 758048461 SQZMNZZCHKBBGC-NSHDSACASA-N 445.457 -0.210 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C(C)C 763816033 BFSDRWSXVWNOBU-UHFFFAOYSA-N 428.467 -0.542 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763872515 NUULUHZFICVAMP-NSHDSACASA-N 432.412 -0.146 50 20 IBGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 763875762 AMGCLNRSXGMKBB-MNOVXSKESA-N 434.902 -0.335 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 764399010 JENGJYFKECTIDL-LBPRGKRZSA-N 444.510 -0.099 50 20 IBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])cc1OC 764812748 QREALXGNKRHVLG-UHFFFAOYSA-N 445.392 -0.491 50 20 IBGD C[C@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 765313413 MFUSOIUUKATVMA-FWZIUSJTSA-N 438.481 -0.010 50 20 IBGD O=C(Cc1ccc(O)cc1)NCC(=O)N1CCN(S(=O)(=O)CBr)CC1 765637599 HLGNTWPDEMZYBE-UHFFFAOYSA-N 434.312 -0.123 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nn1C 773494774 XZAFZLGWKKDGFL-UHFFFAOYSA-N 438.466 -0.856 50 20 IBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 792880149 WKPKZVBURARFIS-UHFFFAOYSA-N 441.510 -0.085 50 20 IBGD CN(CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 816883237 XHUSCLRSHOUDPJ-LLVKDONJSA-N 437.438 -0.783 50 20 IBGD COc1cc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc(OC)c1OC 919690826 UWYCQQCDQBDHQJ-UHFFFAOYSA-N 445.432 -0.324 50 20 IBGD COCCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 920814358 ZTGQFLZWRIVNPP-UHFFFAOYSA-N 427.527 -0.008 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1779030815 IMAHLBHNSPMYAG-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332370 XSGBYAVWFRCMGB-FZMZJTMJSA-N 425.324 -0.009 50 20 IBGD O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CCN1 1782269321 GZKVHFQUSPBPSJ-RADWXHQJSA-N 443.309 -0.980 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782718049 FZHBVKNLPGSVTE-DNVCBOLYSA-N 446.570 -0.692 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783354510 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COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1O 1795735239 RKIPXYRVQVPXEH-CWPLJXCYSA-N 440.261 -0.402 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1796441754 YKEPKVZXOWNPOB-ZPLRYINRSA-N 444.448 -0.496 50 20 IBGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796587572 BHMNAFIBBZOTGV-CCWDJLKJSA-N 436.513 -0.894 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799408512 ANEXXMBJHRKMBN-NDMOTNCASA-N 428.453 -0.998 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831024009 NRJCBQMUWWMMQE-BLLLJJGKSA-N 434.287 -0.322 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccco3)CCO2)C1 1833924619 BYWRWZYJINTHGA-FQEVSTJZSA-N 429.433 -0.338 50 20 IBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1834821786 YHUPLGOXMFXRFU-MRXNPFEDSA-N 445.270 -0.257 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838910564 RZGCZQUTXHEEHJ-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840031390 OCTQLJXPTNARNV-SJCJKPOMSA-N 444.282 -0.061 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840154019 IASRJPJYLFTQAT-SCLBCKFNSA-N 430.889 -0.248 50 20 IBGD COCCn1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1=O 728333510 YNSXHADPQWHIEQ-INIZCTEOSA-N 431.401 -0.361 50 20 IBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3ccccn3)CC2)o1 729231687 YHUWPTAECWVCCE-UHFFFAOYSA-N 436.450 -0.937 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 764229727 BVQPLONPCVGBFZ-LLVKDONJSA-N 442.494 -0.406 50 20 IBGD CCOc1c(OC)cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 764814916 ADTMWTNEAVXMAT-UHFFFAOYSA-N 444.448 0.000 50 20 IBGD COCCN1C[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)CC1=O 766641828 NEZMOWJIXURWHS-LJQANCHMSA-N 431.537 -0.245 50 20 IBGD Cn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(O)nc1=O 766659907 INAUCTVZGHZXFY-UHFFFAOYSA-N 434.884 -0.282 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 771936263 AQMWGVHJARYMFT-GFCCVEGCSA-N 430.483 -0.632 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 772144269 RSMCZTXZOIJOOY-HNNXBMFYSA-N 440.522 -0.210 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772896825 CJAQCRRHZRIZBO-YXAMBPQSSA-N 430.848 -0.089 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783427877 QRVMLNVNEQGXEH-KRWDZBQOSA-N 444.535 -0.976 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 789852714 ZEKIHWOVIIYILH-UHFFFAOYSA-N 434.434 -0.078 50 20 IBGD CN1CCN(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 811421553 NXMVLRJZDMMICV-UHFFFAOYSA-N 439.416 -0.148 50 20 IBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 920196719 RXBBKEPWIMUTBP-UHFFFAOYSA-N 437.478 -0.436 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1782171701 AUJCHIOUAIONCT-SNUQEOBHSA-N 430.889 -0.694 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783342984 LKKSDKAFIXVGJQ-BZNIZROVSA-N 431.287 -0.458 50 20 IBGD C/C(=C/C(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2)C(=O)O 1785415158 PDZMEYPQBZWZBK-GPZKBBIVSA-N 431.449 -0.019 50 20 IBGD CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)C1 1789740988 GDUIGSVNFRXEQW-ZULIPRJHSA-N 429.326 -0.699 50 20 IBGD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795739914 PXQCETXDQBBNKR-RMFSNUHRSA-N 437.305 -0.051 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797465079 NZYSELMIOIWHLI-CCWDJLKJSA-N 429.481 -0.695 50 20 IBGD Cn1nncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337363 RYVMGXJSCLNKHI-GFCCVEGCSA-N 426.267 -0.509 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cn2nccn2)CC1 1830430130 PBJUXROKRKKFCD-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1830727731 CREILTWOLSJJSS-DBXWQHBBSA-N 437.924 -0.243 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310694 YRUCZZKZMNLMTH-BBRMVZONSA-N 431.965 -0.135 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834475251 LAKKAXQXWSFYDZ-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834983397 FFAHMVRSVGGFRN-QCBCRBAMSA-N 435.481 -0.387 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1837457033 SVMVEUQTKWHCLS-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839200085 DEEIQTBCYLIEIE-DOMZBBRYSA-N 449.281 -0.534 50 20 IBGD CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839829526 JEXOPVXOMCKTLC-ISXGRJCASA-N 433.465 -0.444 50 20 IBGD CC(C)CS(=O)(=O)CCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728328501 UQKUTIVXLQZJSU-HNNXBMFYSA-N 428.463 -0.022 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCSCC2)cc1 732891904 KXQUUDXFBVUTEJ-UHFFFAOYSA-N 429.568 -0.005 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3scnc3c2)n(C)c1=O 756302473 MYAVMOXDTAANNE-UHFFFAOYSA-N 428.434 -0.104 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)C(=O)N1CCCC1 760808731 KTSBMWGVUWUJPF-CYBMUJFWSA-N 425.486 -0.338 50 20 IBGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2F)n1 764233317 UTVFXJQCJQQNJL-LLVKDONJSA-N 440.457 -0.348 50 20 IBGD COc1c(F)cc(CC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cc1S(N)(=O)=O 773086129 BMJGBXSUBZOAFD-UHFFFAOYSA-N 439.425 -0.161 50 20 IBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 789810472 NXTLJAGEFXBABG-HOTGVXAUSA-N 432.458 -0.007 50 20 IBGD O=C(NNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 799856909 OARBMGBDDHIJOC-UHFFFAOYSA-N 448.509 -0.093 50 20 IBGD C[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783522088 WOCZORUVEBKOJA-IERDGZPVSA-N 433.509 -0.457 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1783935182 OSJGCXQVZQERMP-NRFANRHFSA-N 448.524 -0.259 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787493509 YIEAXZCOAZCWJE-JIQZXMICSA-N 432.930 -0.632 50 20 IBGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1792964298 SYSCBFGTJAHZMA-CWLGOENISA-N 444.293 -0.841 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975537 UCSRRKCQEHZFHF-XVIXHAIJSA-N 435.905 -0.939 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192859 AGMMPWKPYAQYMD-DFGXFYAUSA-N 447.297 -0.539 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797967035 VGWBCADQSQEQOJ-MQFWEAQZSA-N 434.331 -0.242 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1801011403 KEZZQUUAYQNDEO-ZSBFGKGUSA-N 448.524 -0.499 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801358274 KXSPMAJUCZXDKA-QCYBBUPASA-N 442.480 -0.437 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831576769 QITHQHMFYSUVHB-WQGACYEGSA-N 434.287 -0.275 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834003510 ONUHUKNPJHAHSX-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834065669 NWVMSZOOUMJXET-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD Cc1occc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834137385 XWQYMDUPAHQEDF-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397517 PJNIKCTUKAKDBQ-RHSMWYFYSA-N 434.331 -0.442 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cc21 1836779721 WMQWQOKBYPNQJK-KDOFPFPSSA-N 443.863 -0.379 50 20 IBGD CC(C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456495 NIYLHIKWRIANNG-NRFANRHFSA-N 449.508 -0.430 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1837457494 FOBUNPAIKJXMFX-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837883923 VWCSVLCPAWHCKF-CVEARBPZSA-N 432.949 -0.168 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839213584 MRUZTQJLRHPERN-SUMWQHHRSA-N 432.315 -0.151 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840150072 FDTXLXHOPYWXAY-RHSMWYFYSA-N 445.860 -0.499 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845767181 MENMCFZGCBBWAL-OEAKJJBVSA-N 425.449 -0.419 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 728510338 WZXYTQXTWNXTPG-MRVPVSSYSA-N 446.429 -0.774 50 20 IBGD COCCn1nc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1=O 732679420 ZDJDZSALMYRJBV-UHFFFAOYSA-N 428.493 -0.137 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)c1 744572927 WPGVXWWNTOMVFT-UHFFFAOYSA-N 434.405 -0.020 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COCCO1 744649206 FYXBNAYNPZLAAK-KBPBESRZSA-N 428.423 -0.689 50 20 IBGD C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 756047526 NZVFRCOYWJDAMH-HNNXBMFYSA-N 432.481 -0.016 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)COc1ccc(F)cc1 763008140 DMGDTOBUKOPWOH-LLVKDONJSA-N 438.437 -0.182 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@]3(O)CCSC3)CC2)cc1 765864991 ACZPIIGEMUZHRG-GOSISDBHSA-N 442.563 -0.683 50 20 IBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2=O 769598783 YLRFPAIGSKNVSQ-UHFFFAOYSA-N 426.437 -0.076 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 787880367 GIXBYMSHROXCFR-WDEREUQCSA-N 428.467 -0.510 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F 792698818 QTALSNDSDOYIOY-LURJTMIESA-N 449.385 -0.469 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 794508408 OEQIRZHUXWCOKO-STQMWFEESA-N 433.531 -0.211 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNS(C)(=O)=O)c1 916294643 RFCDLFWYQRMAGU-UHFFFAOYSA-N 435.528 -0.790 50 20 IBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 916516859 SMKNWMHXLVFGCC-UHFFFAOYSA-N 447.539 -0.646 50 20 IBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 916518803 NACJKGXVHGPOCW-UHFFFAOYSA-N 429.485 -0.403 50 20 IBGD COc1ccccc1CC(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 920212980 KXOSIOYIFBCEDI-UHFFFAOYSA-N 434.430 -0.359 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028194 GTYCVRNRWCZQIO-QVKFZJNVSA-N 441.492 -0.339 50 20 IBGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nc1 1779029888 AZNAMOFBZSTNMB-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD COc1ccnc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1779533817 SCSPMQJORXPKCJ-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1 1779897910 WMDFKGSQHFANJX-HXUWFJFHSA-N 441.448 -0.759 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213408 PTWLYOYAYOZSJP-AKCHCHLHSA-N 425.530 -0.602 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936711 ZLSNZGBKAVXPDH-QRWLVFNGSA-N 433.513 -0.520 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952315 JICFIMJBBMSJJY-UWCDFFNFSA-N 435.308 -0.246 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790606259 DBELBHPDWDAPOG-KCMWZYNZSA-N 448.281 -0.479 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293340 WZFXXPWAPQQVGM-WDSOQIARSA-N 448.568 -0.068 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1C 1794784445 VXGCAAPQRIQJRM-NDMOTNCASA-N 427.465 -0.243 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794867268 IXDHHUNQYHIYOJ-SNOXVSQISA-N 427.465 -0.393 50 20 IBGD Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c2ccccc21 1797171370 GXIRVKVJUXVDAX-ZDFLXESQSA-N 436.896 -0.471 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ncccn3n1)C2 1798440556 QAIWXNFQGOXDEA-CLLJXQQHSA-N 435.448 -0.312 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)C1 1801009182 QWAFRIUPUJBNPA-WPECMILSSA-N 438.525 -0.462 50 20 IBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)c(=O)nc1O 1801969997 BPYBMXWWBFKBPA-XOIINTDNSA-N 438.557 -0.302 50 20 IBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cnnn1 1815347544 COJRLVRXADCNAV-GWCFXTLKSA-N 441.282 -0.704 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820140592 LWFJTRPHUAWJKQ-FZMZJTMJSA-N 442.306 -0.261 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200951 DARWLBUDJZSOFO-CQSZACIVSA-N 425.405 -0.198 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825995167 UFYWXOIXWCOXRW-RKDXNWHRSA-N 429.886 -0.139 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830543724 ALJNXSSNWBKTFE-AHIWAGSCSA-N 434.331 -0.002 50 20 IBGD O=C(c1ccccc1-n1nccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734005 YOCYTKVPYSGPQP-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1)[C@@H](O)CCl 1833310127 JWAZJQDAPKKAGZ-HNNXBMFYSA-N 435.916 -0.091 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397519 PJNIKCTUKAKDBQ-YOEHRIQHSA-N 434.331 -0.442 50 20 IBGD CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929636 ZQZJHCAAGKMHJQ-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835966922 YVHIPRJXVJUPLL-UHFFFAOYSA-N 435.529 -0.327 50 20 IBGD O=C(C1CCC2(CC1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839772968 PTWOZPYZKDAKMU-VQIMIIECSA-N 446.928 -0.024 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1840509204 ZVIAFTRXBHJFDO-OAQYLSRUSA-N 436.509 -0.040 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 12701579 KHYRAQPWACXDES-GOSISDBHSA-N 436.494 -0.230 50 20 IBGD COCCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O 21783726 PWICKCSEJSTKII-UHFFFAOYSA-N 449.489 -0.251 50 20 IBGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)C1CCN(c2ncccn2)CC1 728890193 ZSFDXOZESDINIF-UHFFFAOYSA-N 444.473 -0.315 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760276309 CQJRMKDLDLPMCT-SNVBAGLBSA-N 426.430 -0.906 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)c(NS(=O)(=O)C(F)F)c1 769625109 QDUAVJCMSCVGLO-UHFFFAOYSA-N 444.438 -0.105 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 770207996 IWRSDNHDDQFSJC-UHFFFAOYSA-N 430.446 -0.346 50 20 IBGD Cc1onc(-c2cccnc2)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802762329 BOMAUKMXEUSIKF-UHFFFAOYSA-N 438.404 -0.747 50 20 IBGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885389 LFZRALQPWLUGED-KGLIPLIRSA-N 425.446 -0.578 50 20 IBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032864 YUPNGKMSZMNNKF-NRFANRHFSA-N 440.460 -0.859 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccnn1 1781544786 FHCHTEAEBIGUPG-RRMPHLOHSA-N 441.297 -0.653 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1784445535 LFWXGJNFYODXQE-IIBYNOLFSA-N 426.282 -0.424 50 20 IBGD CCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786177457 BMCKCJPDIQGYFG-IEZWGBDMSA-N 426.282 -0.510 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786938134 RKDFTMLPWJMRGD-XEGUGMAKSA-N 429.437 -0.979 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789801829 YMDIBAFUWXNLKY-TXTZMMAHSA-N 430.977 -0.144 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc2ccnn12 1790342495 ZPYYYOJHRIDLKB-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD CCOC(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)OCC 1795740994 VRODPWGZLZWMAZ-CWPLJXCYSA-N 434.298 -0.641 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361023 DTKLOKGPERCXQT-AEFFLSMTSA-N 434.265 -0.477 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812648144 HDPUSXBWCWKBPJ-WNYOCNMUSA-N 438.293 -0.394 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813075010 WRJKLZZTIWOOIB-UWJYYQICSA-N 432.525 -0.013 50 20 IBGD O=C(Cn1cncn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815662934 QMEFDEUZRLDOJY-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD N=C1NCCN1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054963 QMQYXPZSRLRPST-IBGZPJMESA-N 441.341 -0.560 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccnn2)CC1 1827235285 CQXOHXISSRQRAB-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD O=C(Cc1ccsc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935729 OBLDLIOKWLYPEL-NRFANRHFSA-N 444.318 -0.259 50 20 IBGD Cc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835936802 DXAQDTSMXXWEJQ-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836748904 NRSCUCYOEPYECE-GTCCEBARSA-N 430.310 -0.127 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845073028 ZZEUWTAGEQJSQR-HUUCEWRRSA-N 440.504 -0.097 50 20 IBGD O=C(NCCS(=O)(=O)NCC1CCC1)NNC(=O)C1CCN(c2ncccn2)CC1 731684469 XFGFFFWTQDRWHZ-UHFFFAOYSA-N 439.542 -0.257 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)c2ccc(OC)c(Br)c2)C(=O)C1=O 732175291 JNCOCJGJEMAFRT-UHFFFAOYSA-N 427.255 -0.091 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 756652765 AINFFBCCXQKUFI-UHFFFAOYSA-N 427.421 -0.155 50 20 IBGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cn1)NC1CC1 764378705 MIBCLWWYOVORRK-UHFFFAOYSA-N 436.375 -0.081 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1nnc2ccccc2c1=O 765738513 KNVHGIUAJDAHMI-UHFFFAOYSA-N 449.471 -0.603 50 20 IBGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 770753064 ASTASAYYFYOFCV-LLVKDONJSA-N 432.528 -0.652 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 795151197 HWUQRAUNZKMDRH-KFZJALRRSA-N 436.490 -0.068 50 20 IBGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 802722069 PDFCRNCQMOLWOU-UHFFFAOYSA-N 431.448 -0.569 50 20 IBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 1317869128 BUDXDAOZERIDDF-UHFFFAOYSA-N 440.526 -0.909 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778675746 UCKPVMUFTIPVFY-QFIPXVFZSA-N 434.261 0.000 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)n1 1779232537 FFTBQAJJGRGPOJ-IFXJQAMLSA-N 426.901 -0.284 50 20 IBGD CN1CCc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc21 1797017195 BSDOZXXFYMRRFJ-HATOLVCRSA-N 449.316 -0.124 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@H]2C1 1797633747 CLFMUOJEKPDMFW-VMKZXYDASA-N 442.520 -0.772 50 20 IBGD N=C(N)SCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807000765 HPHQFDOTOAOZNS-CRAIPNDOSA-N 441.322 -0.292 50 20 IBGD CC[C@H](NC)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834791076 UMUPBEOHTMRIPA-FQEVSTJZSA-N 430.358 -0.450 50 20 IBGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cnn2c1 1836945052 YSUDWFWIOMAZLJ-DNVCBOLYSA-N 437.884 -0.293 50 20 IBGD Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459254 AHGVURQSNQQFLT-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CCN1 1840232349 UWCQNOCPGVQEQI-KFNAQCHYSA-N 436.278 -0.341 50 20 IBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012446 PTMLQWMNVZZBLG-MSOLQXFVSA-N 426.278 -0.061 50 20 IBGD O=C1CCc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)nc2N1 1843013807 PULDAMZNVKRXBK-UHFFFAOYSA-N 434.261 -0.223 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1844264911 XGFDRLUXFAYDCD-GJZGRUSLSA-N 440.504 -0.097 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845437962 VFPDQRHAGBAZER-OAHLLOKOSA-N 433.270 -0.974 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1847090600 VBQQFGLNQBIQGC-NWDGAFQWSA-N 432.905 -0.442 50 20 IBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848150000 JYJRXHMMSKMVLL-AGIUHOORSA-N 436.900 -0.347 50 20 IBGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746270260 SLOLZQYKXHLHCM-SYLRKERUSA-N 439.469 -0.608 50 20 IBGD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)C(=O)N1CCCC1 748239124 DNNOBPQBGFSIRN-JTQLQIEISA-N 427.439 -0.191 50 20 IBGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 764125646 ZCOKULNKSDPDPU-UHFFFAOYSA-N 444.492 -0.057 50 20 IBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 764230446 IJRJRNBTDNCKQN-SECBINFHSA-N 436.874 -0.611 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 920212724 VFIHIQMCNLAHNH-CYBMUJFWSA-N 446.507 -0.925 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321845425 RHMIWVRMOOJTST-LLVKDONJSA-N 435.549 -0.343 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778656998 WLVYKOZDUZXCEH-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD Cc1noc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030640 FLIVJWYLZZJRSP-IBGZPJMESA-N 429.437 -0.937 50 20 IBGD CCOC(CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)OCC 1779034996 ZAAXDQGBHCSALO-OAQYLSRUSA-N 449.508 -0.082 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779393479 ZBZPGUHRMWOQMT-FQEVSTJZSA-N 427.465 -0.218 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3C(N)=O)[C@H]2C1 1790129127 FPAOZPPDBOJEDV-WBAXXEDZSA-N 445.520 -0.248 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350206 KGDFLVHQLXNMDB-FZMZJTMJSA-N 444.322 -0.037 50 20 IBGD O=C1NCc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1830731133 IBBDELBDMHOEAP-UZLBHIALSA-N 437.880 -0.400 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834532629 OQXNOKCCXDBRFB-ACJLOTCBSA-N 428.873 -0.191 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1835761396 OZSSREYPIWSJDR-KDOFPFPSSA-N 431.562 -0.643 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)C1 1835926719 ZXTYSLHDLOEUCI-XQBPLPMBSA-N 428.294 -0.518 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1837275067 DAJIFCPGEIWZIH-IUODEOHRSA-N 449.281 -0.534 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1837457031 SVMVEUQTKWHCLS-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1837901797 WZJBSTZXNZLXDI-UHFFFAOYSA-N 442.281 -0.279 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840153528 RYGGYCHXBPRSSL-ZBEGNZNMSA-N 431.833 -0.358 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc3c(c2)CCNCC3)C1 1845796809 KWBFOXRFPYBNMJ-UHFFFAOYSA-N 434.305 -0.420 50 20 IBGD O=C(Cn1ccc2ccccc21)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 729450520 ZBSDOHQQVDKLKN-AWEZNQCLSA-N 431.474 -0.046 50 20 IBGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742239878 HFTLZQGUJDXDAX-FZGMBXNASA-N 449.489 -0.708 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 742466049 ZRDAMBNEYNXLNW-CQSZACIVSA-N 433.490 -0.003 50 20 IBGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746270263 SLOLZQYKXHLHCM-VEGXAWMVSA-N 439.469 -0.608 50 20 IBGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 748246473 AQZCMUCTAJMVCK-UHFFFAOYSA-N 447.311 -0.113 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 764225993 DJYMWQAPWUBPCX-SSDOTTSWSA-N 427.361 -0.954 50 20 IBGD CCC[C@@](C)(O)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 771647118 DUPOYXQAHIGCKL-LJQANCHMSA-N 426.539 0.000 50 20 IBGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)nn1 807250358 ATCLYSQLDZJYKX-UHFFFAOYSA-N 442.436 0.000 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1OC 809245355 JCQUIUXKRZHMQU-VURMDHGXSA-N 446.416 -0.881 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 906504713 ZKMNPAVTWNTSFO-UHFFFAOYSA-N 434.478 -0.918 50 20 IBGD CC1(C)NC(=O)N(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 918021201 JLZOLLFJQWDAJM-CYBMUJFWSA-N 434.405 -0.763 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN1CCS(=O)(=O)CC1 919136226 BAWTXXQPAIKCBB-UHFFFAOYSA-N 433.870 -0.617 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCCS1(=O)=O 1322148573 QFAIYWLVYZACDU-UHFFFAOYSA-N 432.528 -0.732 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980198 UXVUFXVVPYVLNS-SNRMKQJTSA-N 426.282 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4nccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786985226 SXNZDYXCNRWIHZ-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD COCc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1789211754 QIFLAQDWMGZVDY-QRFRQXIXSA-N 441.293 -0.252 50 20 IBGD CN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1792549514 JIEUYKONZHSADN-JLVBRIDZSA-N 430.509 -0.770 50 20 IBGD C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1799283321 ABCPXRWACCVVKB-NIFZNCRKSA-N 446.932 -0.157 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800976721 FMPJDCPVHPPAIB-BAESOJJISA-N 425.873 -0.858 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ccc(O)nn1 1805267514 JQRFHIYRPLULGH-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD Cn1nc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cc1O 1807360517 CEFMPAGQFQBHAM-JXFKEZNVSA-N 449.276 -0.166 50 20 IBGD O=C(Cn1cccn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341282 VQSXPWLDJOYVOT-AWEZNQCLSA-N 425.279 -0.055 50 20 IBGD O=C(Cn1ccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815773557 WENDADBBYBOFPG-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C1C[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1827053729 YZOFIFDZAKVGPX-HKUYNNGSSA-N 427.310 -0.264 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832024668 NBJJLPGIQGONBC-AUUYWEPGSA-N 443.884 -0.988 50 20 IBGD O=C(C1=CCCS1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927504 QNFIBGBGGSNOAF-HXUWFJFHSA-N 432.307 -0.543 50 20 IBGD O=C(Cc1ccsc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928303 JIXHHRJARAQIPY-NRFANRHFSA-N 444.318 -0.259 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1835931323 MRGUJBHVGCNRFE-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1837958295 OHISPUKGCNXHCW-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1840151134 VXJVVNNPHFZJPA-KXBFYZLASA-N 433.933 -0.141 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 725877505 CZYRJNDXKNMBCK-UHFFFAOYSA-N 425.467 -0.368 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C)C(=O)c1ccc(Br)s1 729277327 ZERFKXDLIZALBQ-SSDOTTSWSA-N 441.329 -0.332 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)c3cnn[nH]3)CC2=O)cc1 729456083 QGDDRUOWEBALKS-GFCCVEGCSA-N 449.493 -0.351 50 20 IBGD C[C@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)n1cccn1 732329043 GJASOQGUHFVUJN-GFCCVEGCSA-N 432.393 -0.185 50 20 IBGD O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)NNC(=O)[C@@H]1COc2ccccc2O1 732347546 VXVSWLZTNLEYST-QINJFGQTSA-N 446.416 -0.715 50 20 IBGD Cc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Br 757095975 NZXVLKNTPZTRLX-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 795079465 AZRUUNBDBZEDQU-SUHUHFCYSA-N 428.515 -0.807 50 20 IBGD CCS(=O)(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)[C@H](C)C1 804867574 GITGJZUBOHZYBG-GFCCVEGCSA-N 446.555 -0.310 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc2c1CNC2=O 807070840 RGFPADKOJMBRFS-UHFFFAOYSA-N 425.401 -0.058 50 20 IBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1 1253041967 ZGTVYTKFMYBLOG-UHFFFAOYSA-N 448.505 -0.068 50 20 IBGD COc1nccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782208924 BDHVNGAYSSOJDV-QVKFZJNVSA-N 448.524 -0.014 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1788611675 PINNLNVDZSJSBT-JQFCIGGWSA-N 439.476 -0.689 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1CCC(O)CC1 1791408460 UENKMFKBNXNFTO-ROQIKNHKSA-N 430.310 -0.489 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794207931 HDSBMGLMFXOICS-PWIFXLDZSA-N 443.464 -0.643 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nc1 1795734627 VLUZKIHNERAKOZ-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753973 MYHWUVMDOPPZJO-DYNIEEOBSA-N 440.298 -0.328 50 20 IBGD CNC(=S)NCCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978797 RVQIMZHVMSDIMP-UHFFFAOYSA-N 446.382 -0.305 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817360335 QAEOYAKBHCOQQF-TZMCWYRMSA-N 436.517 -0.632 50 20 IBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)C(=O)O 1830365755 HDWFOWGXNXAXCU-SFHVURJKSA-N 433.889 -0.749 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1830535297 LXJOUMUKCOGCGM-MKBNYLNASA-N 434.287 -0.418 50 20 IBGD O=C(Cc1cnc2ccccn12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830655832 ZNFMJJYACVFDGO-OXQOHEQNSA-N 436.896 -0.067 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1830705767 MNXWDIZLGLBPQX-QCUYGVNKSA-N 432.901 -0.368 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830731195 HSUMAYFSINRBCA-HNAYVOBHSA-N 426.901 -0.183 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCCC3)CCO2)C1 1834680327 AZNNGPNQLDDYNL-NRFANRHFSA-N 429.477 -0.135 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3CC(=O)C3)CC2)CC1 1835737295 FVNRYYYDGKCIED-UHFFFAOYSA-N 442.520 -0.151 50 20 IBGD O=C(CCc1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935214 HWVDWDRFSZVBSE-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CN1 1839197524 ZXRUUWDOZLHFKN-NORZTCDRSA-N 436.278 -0.341 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839874879 FCCUKEFIPYARNQ-OGHNNQOOSA-N 434.331 -0.002 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015276 ZYHOOLCLRGHLBG-QZTJIDSGSA-N 426.278 -0.061 50 20 IBGD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NNC(=O)c2cnn(C)c2)CC1 735515641 UGVIXZUYAPYKAU-UHFFFAOYSA-N 435.510 -0.500 50 20 IBGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764155262 XGHMUTXJHMOSKY-MRXNPFEDSA-N 440.412 -0.321 50 20 IBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 766275922 MDRUEYJHXDBQGS-CABCVRRESA-N 439.542 -0.442 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CS(=O)(=O)C(C)(C)C)CC1 768406819 IMHRWSXGPLPWEC-UHFFFAOYSA-N 433.556 -0.326 50 20 IBGD CN1CCN(c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 784002251 MRQQERGAPWHXAU-UHFFFAOYSA-N 428.449 -0.453 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029164 MEFIPCYNHUBODP-OXJNMPFZSA-N 432.481 -0.957 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784499949 OEDYJLRFKUXBCV-VFNWGFHPSA-N 441.492 -0.339 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2)c1ccc(B(O)O)cc1 1795732838 OAVOBYMWJOGKHY-MIFYACCESA-N 430.657 -0.673 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nn1C 1795735003 HKXQHZDABYVWPB-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD Cc1ccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c2c1 1796271514 ORLMVWJKORUJDL-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD Cc1ccc(C(=O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1800884622 XIDQXBZEHQONAV-OPVJXMOQSA-N 436.273 -0.239 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cnnn1 1813073252 IGGIHBPTGVNYQA-IDHHARJASA-N 443.512 -0.292 50 20 IBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)CC1 1818890302 ODVHUEJXAXUUHZ-TZMCWYRMSA-N 443.957 -0.181 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1ccccc1=O 1830730826 FNTUAPMKKGXSQT-VCBZYWHSSA-N 427.885 -0.535 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832474874 QHBXMORAMMKGCH-FZKQIMNGSA-N 430.889 -0.598 50 20 IBGD CO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738333 XDBVWQLRFJLPFK-CQSZACIVSA-N 432.525 -0.095 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)C1 1835933986 JICFPLFDDMJFSE-XQBPLPMBSA-N 428.294 -0.518 50 20 IBGD O=C1CN(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)C(=O)N1 1836715774 ZMYQGKUJWBPOKG-AWEZNQCLSA-N 430.889 -0.864 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1837456690 PKHWZSQBLOQNOC-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459872 NQAGUZHDYBXBNM-PUCZYUMASA-N 431.493 -0.199 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183474 GPHSPNBDPIURQE-FQEVSTJZSA-N 434.497 -0.772 50 20 IBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCCCC(=O)O 726155101 GDGOCSYDTFRYII-LBPRGKRZSA-N 449.507 -0.082 50 20 IBGD O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)[C@H]1COc2ccccc2O1 728340488 LSANNKDTAKSCKQ-CQSZACIVSA-N 432.345 -0.713 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CC2(CS(C)(=O)=O)CC2)cc1 746815672 CWRQCGSTERVKLT-UHFFFAOYSA-N 431.536 -0.022 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Br)cnc1-n1cccn1 764425357 OWTUAOZZCKOMMB-LLVKDONJSA-N 439.226 -0.469 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3COC(C)(C)O3)nc2)CC1 783274152 OGSSRTOUMFAZFW-ZDUSSCGKSA-N 428.515 -0.205 50 20 IBGD Cc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032766 UQJWHRLMOAQVII-HXUWFJFHSA-N 425.449 -0.459 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783936606 XTLLVOHDIMDAIR-JOCHJYFZSA-N 434.537 -0.112 50 20 IBGD CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cn1 1792976745 MDGGDKMKDXCTFM-XRGAULLZSA-N 445.925 -0.571 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793589606 MHEQRLMWYOEFRD-CCWDJLKJSA-N 432.282 -0.699 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]c3nccc1-3)C2)c1ccc(B(O)O)cc1 1795734549 LKNUHTCELTYQBG-CCWDJLKJSA-N 434.261 -0.289 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2 1797754102 VQOPTWXOCJTRKK-FHBBXYPBSA-N 429.502 -0.237 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1800641920 MMVXTTCWTQFHIM-SGPHBRAGSA-N 434.331 -0.600 50 20 IBGD CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812660032 XWQFPWSFFKEJHT-GHTZIAJQSA-N 438.293 -0.393 50 20 IBGD O=C1CC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)N1 1815354661 PHHVPPAJFROXAI-JSGCOSHPSA-N 428.279 -0.673 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733344 JBXPJTCVFRQYJZ-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD CN(C)CC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736977 OOEIGSANFOAMHK-UHFFFAOYSA-N 431.541 -0.568 50 20 IBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cn2[nH]cnc(=O)c12 1838470707 CMPAOHHYDZYJPU-KSSFIOAISA-N 441.847 -0.065 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1840182684 PRLLKTBLDSWPGW-HVPBSWBLSA-N 445.520 -0.076 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1)NC(=O)NCc1ccccc1 1843102829 JCBGSCIWYRHOIX-UHFFFAOYSA-N 440.508 -0.172 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 729276180 YNAVTNHUOCWEFV-LBPRGKRZSA-N 446.551 -0.681 50 20 IBGD C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 779506766 CPYCLFDOPNPVKP-SNVBAGLBSA-N 429.441 -0.546 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 812727803 WNMQOWYTSVQNJN-GXTWGEPZSA-N 444.535 -0.584 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 812728051 GBTRMSLZBPTFMI-UHFFFAOYSA-N 425.492 -0.122 50 20 IBGD O=C(NNc1ncncc1F)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 815763804 BDKSLOUNRXCQPX-OAHLLOKOSA-N 430.396 -0.288 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1777743048 VOPRBPAVMNXYDA-FOIQADDNSA-N 442.480 -0.447 50 20 IBGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c(=O)nc1O 1785354006 KJSBNXGNCMQENB-WBMJQRKESA-N 447.261 -0.222 50 20 IBGD Cc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793991644 UAYKXHRGPZHDLH-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ncccn1 1794188751 XXDFMQBMBFXOQJ-DHMDNZFNSA-N 439.476 -0.257 50 20 IBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347506 QPBZHTQXJWINOG-RBLKWDMZSA-N 425.324 -0.250 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nn[nH]c2c1 1800144226 CRRRBLZLGKNOGR-HBCWATKFSA-N 429.481 -0.466 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1802336423 NPKBUSCMBFNNDL-QDMKHBRRSA-N 441.492 -0.286 50 20 IBGD CN[C@@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1827050785 GLYQNRJGCMJKFT-OALUTQOASA-N 445.325 -0.338 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831498163 JZCROZBJVRRMBZ-PKOBYXMFSA-N 430.571 -0.230 50 20 IBGD Cn1cccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929360 MFGLYXVCRBYXOQ-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939815 JFQREJKMOOMGKR-VGOFRKELSA-N 446.309 -0.747 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839144382 XBCRPFBXPFTHGC-SWLSCSKDSA-N 427.822 -0.815 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839155076 HUPKCDRGBIZZTM-ROUUACIJSA-N 447.319 -0.064 50 20 IBGD CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840207604 DWLMUWBAAZPDTN-GFYXTMNVSA-N 435.481 -0.388 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1)NC(=O)NCc1ccccc1 1845265990 JOGBUJSTBAMDFA-UHFFFAOYSA-N 440.508 -0.172 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC(C)C 729275374 OHVYJJXEDRTECM-JTQLQIEISA-N 436.512 -0.919 50 20 IBGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@H]1COCCO1 745999891 POUKQUHLFHPCKU-CYBMUJFWSA-N 438.466 -0.975 50 20 IBGD C[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)S(C)(=O)=O 754677299 ZCINJKORSSVEIB-LBPRGKRZSA-N 434.544 -0.923 50 20 IBGD COc1c(F)cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 756147948 GQUOJGLVYYLGGR-UHFFFAOYSA-N 437.363 -0.427 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 756205577 ISDKUIYYJSHUBP-LLVKDONJSA-N 433.512 -0.988 50 20 IBGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 757804141 SAWWLHSSVTZZCT-NWDGAFQWSA-N 449.555 -0.005 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-c3cc[nH]n3)s2)n(C)c1=O 762088445 VPNHGEFMTIRDFR-UHFFFAOYSA-N 428.434 -0.654 50 20 IBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c2ccccc12 764423627 CROCBBJOESKEDD-MRXNPFEDSA-N 431.401 -0.107 50 20 IBGD COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764433431 NKDDUTMBMUVTRC-NSHDSACASA-N 448.201 -0.124 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 771894539 QGWBNSZEOBTMJP-NSHDSACASA-N 428.467 -0.198 50 20 IBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)O1 775459726 FYRIYBUBIWQCNH-ZFWWWQNUSA-N 441.510 -0.483 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 793030229 FQSZFBICDKPTHT-NSHDSACASA-N 444.416 -0.108 50 20 IBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)Cc1cn2ccccc2n1 796886669 QPJKSFNDTQINLJ-UHFFFAOYSA-N 427.446 -0.121 50 20 IBGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 799240585 KDZBPNHPGXQSNO-SMDDNHRTSA-N 427.483 -0.305 50 20 IBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3ccc(-n4ccnc4)nn3)CC2=O)c1 804956593 UUYNRKOMSUKBHD-GFCCVEGCSA-N 442.461 -0.194 50 20 IBGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806976650 JWSYBKNVIRHFIK-KGLIPLIRSA-N 425.445 -0.178 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)N2CCN(C)CC2)cc1 808032320 VIACSIDPEBHKOP-UHFFFAOYSA-N 427.483 -0.870 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC(C)(C)C)cn2)n(C)c1=O 814317297 QXEYKWPKNCDRJF-UHFFFAOYSA-N 429.437 -0.533 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936322 UMCCDTHFHMFOKW-YWZLYKJASA-N 425.530 -0.506 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789182700 WMKRUZDESOLIFY-BPUTZDHNSA-N 447.492 -0.223 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3nccc3c1)C2)c1ccc(B(O)O)cc1 1795734232 KMJNJZUOTXYZKW-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nn1)C2)c1ccc(B(O)O)cc1 1795734316 MBWLZJVMPXBPDF-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1796441293 VCQKXKCWLOTQFN-NECFCHHASA-N 428.453 -0.848 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804336272 MWAJIEHNWPENSB-CLLJXQQHSA-N 441.579 -0.142 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350205 KGDFLVHQLXNMDB-BXUZGUMPSA-N 444.322 -0.037 50 20 IBGD Cn1ncnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795796 ROMLXYDCHQMKLA-SECBINFHSA-N 441.477 -0.190 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826877296 WORQCAYTDVHJDL-QGZVFWFLSA-N 435.573 -0.181 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830046617 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1840151954 SGKVLIZRJVFOQH-YLJYHZDGSA-N 446.976 -0.666 50 20 IBGD NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1840645773 LPPJAZQLGFWZQZ-KXBFYZLASA-N 425.869 -0.545 50 20 IBGD O=C1COc2ccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cc2N1 1843011503 KBKIWIXNJGXUDI-UHFFFAOYSA-N 435.245 -0.172 50 20 IBGD CN(CCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 728381820 UGRXSAYXTPUSIE-LBPRGKRZSA-N 435.499 -0.192 50 20 IBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 729456059 OYSLSBUDCMIIAL-SNVBAGLBSA-N 428.858 -0.010 50 20 IBGD Cn1cc(-n2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccc2=O)cn1 760799608 NLLWHKBZGYCHRV-UHFFFAOYSA-N 429.462 -0.061 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1 764234646 ZABHEAIALSAOQO-ZETCQYMHSA-N 427.361 -0.954 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCCCO)c(=O)n2Cc1ccccc1 771500845 DEGLXDHEZOWJDP-UHFFFAOYSA-N 442.476 -0.262 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc(C(F)(F)F)n1 778999110 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CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1782624925 WHZSCBGAPSBUSR-ZBMXMGATSA-N 444.492 -0.010 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783260634 TXEJDHSVHYDBPX-IRXDYDNUSA-N 426.341 -0.661 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C[C@@H]21)c1cccc(B(O)O)c1 1786985172 OWLDEQGSFUHLOG-UGRKVPRCSA-N 428.319 -0.165 50 20 IBGD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788611506 GZLNRYZDMJEIOO-WBAXXEDZSA-N 426.477 -0.069 50 20 IBGD C[C@@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792511011 PUYTVJXJCINUNN-PZTGFMGMSA-N 446.552 -0.046 50 20 IBGD CO[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1795172313 PFMXIEFIHFHNOS-KOUHRCEDSA-N 438.289 -0.043 50 20 IBGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(F)c1 1795732498 MVBAYUOKJIDCMF-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799344775 VJTBLKJQMZZEII-ZIQFBCGOSA-N 429.308 -0.053 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 1801011606 VOKRHXAQVGKMCS-HBCWATKFSA-N 432.525 -0.135 50 20 IBGD CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1807209217 LKQZRKHQOKYCRB-QINHECLXSA-N 448.524 -0.477 50 20 IBGD Cn1nc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cc1O 1807369098 AJPKEAXFHDNWEU-UZLBHIALSA-N 449.276 -0.166 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CN1 1825199533 VYQQEFRQBDUZRC-AAEUAGOBSA-N 428.279 -0.815 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826935535 BRMUSKMSERJSAB-RTBURBONSA-N 444.341 -0.808 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1830046312 GUPUJXFLQFUTBX-SFHVURJKSA-N 430.578 -0.435 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1)[C@@H](O)CCl 1833312445 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O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375890 WFIZPZYPYBPBPU-URZNZNTCSA-N 435.289 -0.027 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)CC2 1826080910 HCNCDGPFOVALOG-NEPJUHHUSA-N 436.538 -0.046 50 20 IBGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1829682677 SJIYUYPAECRWRV-OAQYLSRUSA-N 431.493 -0.055 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1830538027 TXMJVMWJTFBLMS-PBFPGSCMSA-N 432.315 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830774697 BVORMBAIQHKIPP-LAUBAEHRSA-N 439.557 -0.700 50 20 IBGD O=C(c1cc(O)ncn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831739460 ZSLKSXIQRSNRNL-WFASDCNBSA-N 433.234 -0.057 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1C 1835937377 SIFGNMIAJCUBQV-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD CC1(C)CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939597 BMJWUWZIICIZJM-QFIPXVFZSA-N 430.310 -0.127 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)o1 1835939796 IJTSKBWBABTKBV-QFIPXVFZSA-N 442.277 -0.419 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1839655954 YZFVPZHOWHQPMR-DYVFJYSZSA-N 436.962 -0.819 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840037279 XLCPHWQQFLDHHX-ZOWXZIJZSA-N 431.291 -0.526 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)nc1 1843013413 GOZDXIOXUIQFDY-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 16593996 NFZJEJRGAWOYKX-GOSISDBHSA-N 437.478 -0.582 50 20 IBGD COc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 728436023 JTJKDZUGQDDFJT-ZDUSSCGKSA-N 442.494 -0.679 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 746591724 QDVABKFGEIUREB-LURJTMIESA-N 445.273 -0.396 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)CCN1 763570840 ISTXYHVCRNSRLA-QGZVFWFLSA-N 439.428 -0.451 50 20 IBGD CCOc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c([N+](=O)[O-])cc1OCC 764427446 ZXTLNHOERFQYPK-AWEZNQCLSA-N 426.382 -0.107 50 20 IBGD Cc1cc(Cl)ccc1S(=O)(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765128123 ZQILCJRLNCFQIY-UHFFFAOYSA-N 440.869 -0.595 50 20 IBGD CN(C)c1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 779640278 AWUJGWFSSCDIMV-UHFFFAOYSA-N 434.478 -0.362 50 20 IBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 812692153 QDYIQXMWPUTQML-UHFFFAOYSA-N 426.543 -0.580 50 20 IBGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212320 BBCKZXPZJVPBBM-OIOXUXFSSA-N 430.508 -0.516 50 20 IBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OCC 920212439 KEXMBQABWRBURP-ZDUSSCGKSA-N 442.494 -0.269 50 20 IBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 920274974 LIZJCSTWMOELHN-UHFFFAOYSA-N 449.493 -0.774 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CN1CCCC1=O 920826700 OEIYENWYGYYTSB-CYBMUJFWSA-N 446.526 -0.005 50 20 IBGD COC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371275 ZGUSORDNAPRNKX-IIBYNOLFSA-N 447.492 -0.234 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1781231529 AVWDEFAERIJINC-IAGOWNOFSA-N 426.341 -0.661 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782282893 ZTUDWFPGCJMGQU-HXUWFJFHSA-N 434.497 -0.518 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782785613 PCYJLYYLOHJFTC-SUMWQHHRSA-N 428.829 -0.814 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984195 PHWGUASROHMAPW-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795520273 DGLYODTZCAGNCK-QPPBUOOMSA-N 432.241 -0.463 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795522052 IGDIRZFSCOUXMT-MWGHHZFTSA-N 428.220 -0.916 50 20 IBGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797749793 UACDRQMZEMESPC-IVWMJMPLSA-N 440.460 -0.394 50 20 IBGD Cc1cnn([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1801337285 SVMMADAOFPAALR-VYCZESIESA-N 426.282 -0.664 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1813034073 ACKICHQWUAZYDH-DZKIICNBSA-N 440.884 -0.116 50 20 IBGD Cn1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815355118 NIGVIQISJPNUHJ-GFCCVEGCSA-N 426.267 -0.509 50 20 IBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(=O)OC(C)(C)C 1835209102 XSPLKVUHMVHQAP-KUHUBIRLSA-N 449.932 -0.091 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840150173 HDSLMYGCUZPYHZ-KUHUBIRLSA-N 443.884 -0.988 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1840184724 CHDQMCDGIIYHRM-QFIPXVFZSA-N 448.520 -0.236 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 728512349 QLYRDYBHMISJQW-MRXNPFEDSA-N 442.476 -0.135 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)Cc2ccccc2)CC1 735116810 GUNQYJADKBMJLE-UHFFFAOYSA-N 446.533 -0.180 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1nnc(O)c2ccccc12 746387070 BOYBXXXTAVZSFW-ZDUSSCGKSA-N 428.449 -0.723 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C#N)c1 754257127 KMLRSSCPRJBGKZ-SSDOTTSWSA-N 425.286 -0.432 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764203798 FLGQTWHGRNFHPI-UHFFFAOYSA-N 429.499 -0.627 50 20 IBGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2Cl)CC1 764431711 FLHIOAVFAWJUQS-OAHLLOKOSA-N 425.873 -0.407 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636664 RATLUILZWWVXED-HNNXBMFYSA-N 439.538 -0.637 50 20 IBGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 777620294 FJLNHTNFFZFDPT-UHFFFAOYSA-N 446.532 -0.214 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)nc1C 778430258 XZRCQAOJZBIIER-UHFFFAOYSA-N 425.471 -0.185 50 20 IBGD CC(=O)CSCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 787442071 VWMZDDJALXEFDU-UHFFFAOYSA-N 442.563 -0.229 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)n(C)c1=O 802097094 FMYHJCXGMFJKBL-UHFFFAOYSA-N 429.393 -0.595 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1 814723448 GBSDTVPJHKDEPK-AWEZNQCLSA-N 431.536 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779030314 NXLILHXVFUXXTD-GOSISDBHSA-N 444.408 -0.926 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860727 KYZGINAHDLSHBF-LXIYXOSZSA-N 435.905 -0.087 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784496959 GNDGFRQXAMHGQA-IERDGZPVSA-N 426.282 -0.657 50 20 IBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n(C)n1 1785612403 VLZQBOTUFSJQIT-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD CCOC(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)OCC 1786983716 RFCNHDQKXKNOQO-WDSOQIARSA-N 448.325 -0.251 50 20 IBGD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795732583 XUADTJGZUVLIHU-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830724875 IZWXDDTYLZOGOP-APWZRJJASA-N 426.901 -0.183 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1831656107 ATPYNOJYRYUQLA-FZKQIMNGSA-N 433.889 -0.607 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1834222766 UVTNWEGFIGZUEX-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835264052 KKYMHEAGVIXOFK-CPOKCXMASA-N 449.508 -0.262 50 20 IBGD O=C(Cn1ccccc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835998105 NVABRYGLASWWHZ-WBVHZDCISA-N 446.273 -0.005 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839623140 OWLQDAKDOLDTLC-ACJLOTCBSA-N 441.847 -0.462 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033521 IBZKPVGZRHSOFD-PBFPGSCMSA-N 432.315 -0.083 50 20 IBGD Cc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183943 JEYWBMQEZGWLBV-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD COc1ccc(NC(=S)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 729693397 WYCLZKRYFXMGNM-LLVKDONJSA-N 440.507 -0.427 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2c(C)nc3ccccn23)c2ccccc2O1 763624953 PYOOFGDRUVVQNG-HNNXBMFYSA-N 436.428 -0.056 50 20 IBGD O=C(NNS(=O)(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 765014315 KYPGCYGSOJENCT-UHFFFAOYSA-N 432.524 -0.327 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n(C)c1=O 765727679 MGXHPJMIFFFMCU-YVMONPNESA-N 427.377 -0.797 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN(C)CC(=O)NC(C)C)CC2)cc1 765748346 BZPAOBXVGAHWQN-UHFFFAOYSA-N 432.569 -0.284 50 20 IBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(S(=O)(=O)CBr)CC1 777833614 XXZCLSDYSBTHPS-RYUDHWBXSA-N 436.328 -0.012 50 20 IBGD CC(Cn1cc(C(F)(F)F)ccc1=O)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 794488074 HMNOXXOPWMMPCH-UHFFFAOYSA-N 446.411 -0.056 50 20 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437.522 -0.367 50 20 IBGD CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 789734420 BAEOOZKRNDCXSU-JTQLQIEISA-N 426.455 -0.252 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 789941975 OIRJAUSRHMWDAG-LIRRHRJNSA-N 432.433 -0.411 50 20 IBGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 810346016 ZNUSHERSVWQOOQ-ZDUSSCGKSA-N 434.540 -0.716 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 825504459 BWIHTMSSZPDFAD-UHFFFAOYSA-N 427.417 -0.129 50 20 IBGD CN(CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1339222088 YAYDMJOREXGNDG-AWEZNQCLSA-N 432.543 -0.100 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777964186 HNFBAGWWQFEEEF-OAQYLSRUSA-N 432.525 -0.275 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778551631 GTUDEVQSCUQFIQ-OAQYLSRUSA-N 440.265 -0.897 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1)C2 1779371311 NPXIGGIXGFRIOB-XMSQKQJNSA-N 444.536 -0.092 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)[C@@H](O)N1CCOCC1 1779414608 RFVKMKNPGGTFDV-ZTFGCOKTSA-N 448.358 -0.064 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nn1C 1786981017 MFMRYLFFMFUXOQ-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD O=C(Cc1ccc(F)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787032220 AGVZIXLSYAKXAE-YSSFQJQWSA-N 441.268 -0.264 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1 1791056375 VYLWSDMVDGHMBD-DKKFBCOVSA-N 436.303 -0.186 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1791255268 JAGHVDOKAXGYJA-AYDFFVQHSA-N 449.895 -0.063 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1792869000 XXRJRKPQQUYFAI-ONYIWYLUSA-N 431.287 -0.795 50 20 IBGD O=C(/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)NCc1ccco1 1797890032 LMOXEVRGQDZDST-WAPRGRGRSA-N 425.869 -0.359 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccnn13)C2 1801012722 HKXNTTQXSTUVQK-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ncc[nH]3)CC2)CC1 1835736993 FDYQRCGDVBUXOV-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)no1 1837547383 BUWYNKAWFYBMIX-YOEHRIQHSA-N 432.836 -0.296 50 20 IBGD O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837626605 HPROCQIWLSGDCY-KSSFIOAISA-N 426.857 -0.924 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1 1840185260 NHKVVWPEZXVHDF-UTKZUKDTSA-N 435.525 -0.122 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732914324 NZQPHJNVXMJTFM-OAHLLOKOSA-N 446.512 -0.765 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 748633286 SAXYTNSOPZWNDP-SNVBAGLBSA-N 434.437 -0.070 50 20 IBGD CC(=O)Nc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 755624425 GTRGYZZAPSVTCW-UHFFFAOYSA-N 442.436 -0.447 50 20 IBGD COc1c(Cl)cccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756202488 DFUZRFVRWVUNBI-UHFFFAOYSA-N 435.828 -0.051 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 758043073 DYTAGMNRQPSUKF-LBPRGKRZSA-N 432.524 -0.828 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc([C@H]3CCOC3)c2)n(C)c1=O 761489417 WINHYANJPCUHJU-AWEZNQCLSA-N 426.433 -0.601 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)c3c(c2)OCCO3)n(C)c1=O 765721773 IYMHIIHRTPNVDU-UHFFFAOYSA-N 448.823 -0.681 50 20 IBGD CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c([N+](=O)[O-])n1 767850500 LCQGHKSYRQAIIP-UHFFFAOYSA-N 446.305 -0.200 50 20 IBGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 796565636 DUBWJKZLNWQWRH-UHFFFAOYSA-N 436.490 -0.238 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 807578789 IKANSCSUFJQNNR-OAHLLOKOSA-N 440.526 -0.157 50 20 IBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 920832838 FRPSHXWVUMIIDN-UHFFFAOYSA-N 436.512 -0.764 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778161816 OJGBWEMYVYBPLD-LJQANCHMSA-N 425.486 -0.968 50 20 IBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032865 YUPNGKMSZMNNKF-OAQYLSRUSA-N 440.460 -0.859 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783341684 DFGSIMDKBWZMET-ZBEGNZNMSA-N 431.287 -0.458 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)Br)C3)C2)CC1 1783533786 JCQDBSKIYJQWIH-KBXCAEBGSA-N 445.358 -0.236 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789392785 CXYUDUMUIRIAMF-YDHLFZDLSA-N 436.469 -0.111 50 20 IBGD Cc1cc(C)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791288595 JNSLDLCFAVIPAJ-BZSNNMDCSA-N 434.541 -0.147 50 20 IBGD Cc1cncc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1794073316 INQBHMVYPHUKFK-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2)c1ccc(B(O)O)cc1 1795736787 KMJGMDMXQXMLKO-FAQVEIGNSA-N 448.288 -0.381 50 20 IBGD O=C(COc1ccc(O)nn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190364 RGPYVBVVGKRQHM-MUJYYYPQSA-N 426.238 -0.807 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754495 ZVNAVPIQELWINK-QXGSTGNESA-N 444.536 -0.239 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1800640290 PIADEBXATWWVOV-FBUUZDRASA-N 431.287 -0.652 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800760106 ZYIIWSCYCFPCFC-DGXTUMSLSA-N 431.375 -0.005 50 20 IBGD O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1803642194 CPSNKZBHLGLKMW-BPQIPLTHSA-N 438.249 -0.811 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(O)nn1 1805267904 MWCNHIFEVLGBQT-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974552 VYCNZPZQZQDVPM-UHFFFAOYSA-N 444.341 -0.416 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1826004585 NPSJJLXMQALVMZ-IUCAKERBSA-N 432.886 -0.148 50 20 IBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834675774 AQZYTOCEHHNRGT-WFASDCNBSA-N 446.390 -0.066 50 20 IBGD NC(=O)c1nccnc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836047806 ZBOGRVJKHNFNQE-CQSZACIVSA-N 438.916 -0.640 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837515578 RMLUVFLHGDZSDW-WDYCEAGBSA-N 433.933 -0.499 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711524 KZSVMDGTXHRZIQ-RDTXWAMCSA-N 430.578 -0.259 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359653 PSQJSSBDDDPXFX-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013126 MBLXXDFTGVQFGZ-QGZVFWFLSA-N 439.321 -0.026 50 20 IBGD NS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728339846 YXRBAWGOWDGMJT-INIZCTEOSA-N 449.441 -0.381 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 729275128 LPBCQZHKHSHBNM-PWSUYJOCSA-N 438.462 -0.840 50 20 IBGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nnc2n1CCC2 730933928 BHTYNMYFOFWRJS-ZDUSSCGKSA-N 449.541 -0.057 50 20 IBGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc2c(c1)OCCO2 731457386 IIINLMLMSHGJPI-UHFFFAOYSA-N 442.413 -0.056 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc2c1CCN(C)C2 731458740 QLKGOFORSHZPSI-CQSZACIVSA-N 432.506 -0.241 50 20 IBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 737529597 FCGOIQXFVQSXGW-UHFFFAOYSA-N 430.446 -0.807 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 740943452 NOHBHGSJUJUMNN-UHFFFAOYSA-N 444.485 -0.088 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2cccc([N+](=O)[O-])c2)n(C)c1=O 765732000 MEJRBKSCVXXUCE-UHFFFAOYSA-N 429.393 -0.878 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(-c3ccccc3)nc2)n(C)c1=O 766638174 YUMWGBFLLWVEEZ-UHFFFAOYSA-N 434.416 -0.648 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCS2(=O)=O)c1 916096297 NDZYCNZFPWTNIQ-UHFFFAOYSA-N 432.524 -0.486 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028284 IAAAEOGLUKIRAN-HXUWFJFHSA-N 425.449 -0.459 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1779033982 HFXYHMRWYROKPE-GOSISDBHSA-N 446.493 -0.961 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1779539564 CDEJXQPOFIZMQK-PJIJBLCYSA-N 440.573 -0.050 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1783933656 CBOLCGAIQJGKLC-PGRDOPGGSA-N 431.537 -0.068 50 20 IBGD COCCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934187 BWSVOUNAOMLOJV-FQEVSTJZSA-N 436.513 -0.654 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1783974657 UOONKHFZYZOVBU-RFGFWPKPSA-N 442.310 -0.078 50 20 IBGD Cc1ncc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786986574 MDODCXGZWLOXHL-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1792868790 PGBRLHBAYRWABY-DYNIEEOBSA-N 431.287 -0.841 50 20 IBGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(F)c1 1794450891 CICBHSTWUOJOLT-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C(F)F)n1 1796701260 CPCNWNBXOLHVFF-YWVIFJGQSA-N 448.235 -0.446 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365035 WHHWAQKTYUIEPK-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CNC(=O)C2)n[nH]1 1821959578 JOAOODSKMWCZQN-NHYWBVRUSA-N 440.464 -0.150 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830296909 OMIANGFKDUNGFL-IQUTYRLHSA-N 449.932 -0.044 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832341242 QEKVKSQQMJXLQL-KNQAVFIVSA-N 446.309 -0.604 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837595722 WCZUBUJTYMWNBS-IERDGZPVSA-N 434.298 -0.750 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838405373 SQFJHNBPTHZSQO-PXNSSMCTSA-N 447.960 -0.111 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839143612 BTWWCYZBLKCUMW-SGTLLEGYSA-N 438.872 -0.495 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840030593 PQOHZBXIOIQDTN-BLLLJJGKSA-N 434.287 -0.322 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1840183763 YMGPNEQQLPLCIF-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N[C@H]1CCS(=O)(=O)C1 732061086 BAWXHCSLQGRUPU-VHSXEESVSA-N 445.479 -0.222 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)CCOC(C)C)CC2)n1 747846322 KDITZCLVXXPNPM-UHFFFAOYSA-N 447.583 -0.486 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)C(=O)N1CCCC1 748247870 WSHNEPCZZCAHGF-UHFFFAOYSA-N 440.478 -0.901 50 20 IBGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc(OC)c1OC 756040973 WICZMINTBBXUAS-UHFFFAOYSA-N 427.439 -0.815 50 20 IBGD C[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)S(=O)(=O)C1CCOCC1 758512132 HUVONGKUMMINBV-NSHDSACASA-N 447.373 -0.205 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC3(C)OCCO3)nc2)CC1 760164503 QUEOTRYBKUXOKR-UHFFFAOYSA-N 428.515 -0.203 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc(Cl)nc1 763023370 OGMDZGSUPSERTJ-SECBINFHSA-N 425.854 -0.038 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 764379344 WHYVGDVMXVJJSF-UHFFFAOYSA-N 447.839 -0.818 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 771952040 UREGILTVIMJHCD-LLVKDONJSA-N 428.467 -0.844 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 812727805 WNMQOWYTSVQNJN-OCCSQVGLSA-N 444.535 -0.584 50 20 IBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3n[nH]c4c3CCCC4)cnc21 1318189157 PPNUPOUTUQDSHR-UHFFFAOYSA-N 449.269 -0.044 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851027 TZOQCINZEWXCMY-QVKFZJNVSA-N 449.508 -0.007 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1783933522 OQRYYNHASVBAGK-OAQYLSRUSA-N 446.508 -0.986 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1783934934 NEMRWFLTDHFEQR-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982889 CEQPDZIEDXFFBQ-GIUOSPMZSA-N 445.369 -0.062 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1786984285 YLENLQHGWBIWDZ-ZVDSZYIKSA-N 441.337 -0.700 50 20 IBGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797004903 AZDGRTDYMXYANA-ALXJQNPVSA-N 449.276 -0.765 50 20 IBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797758942 LNLRUYXCSADQKQ-RBLKWDMZSA-N 425.324 -0.250 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 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CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1840184295 YVUPTYGCAPJCKK-FQEVSTJZSA-N 427.546 -0.796 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840249688 SKQNASZNZYEVNS-JEBQAFNWSA-N 434.896 -0.260 50 20 IBGD O=C1Nc2c(cccc2C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1=O 1843011435 CTDZVPVLARRMJU-UHFFFAOYSA-N 433.229 -0.368 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844157244 CMWAUGNCJRFEFY-HJGVYBFFSA-N 434.453 -0.612 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2)NC(=O)NCc1ccccc1 1845038717 LHMGEMOEFFGASE-QGZVFWFLSA-N 442.520 -0.185 50 20 IBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 725896531 KDOUTRPONBCZAL-INIZCTEOSA-N 438.506 -0.273 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764213258 VCVHPOREBQMDBG-UHFFFAOYSA-N 427.527 -0.019 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 764233363 VWEWMNLOXJFBAB-VIFPVBQESA-N 428.858 -0.451 50 20 IBGD COc1ccc(S[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765728374 OJBLRUYXTQZUQA-LLVKDONJSA-N 446.489 -0.230 50 20 IBGD O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 766866994 PJMQIROZRYQSRY-UHFFFAOYSA-N 439.494 -0.449 50 20 IBGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(C)(C)O)cc(-c3ccc4c(c3)OCO4)nc21 768258983 CIROANKMANITEP-UHFFFAOYSA-N 441.400 -0.038 50 20 IBGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 768563004 VYQPHFLGAWFMIQ-GTNSWQLSSA-N 429.499 -0.605 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc1C 778430679 YCAPXABVSIELJL-RYUDHWBXSA-N 425.467 -0.560 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 779844604 LOFAECBEYICIBA-UHFFFAOYSA-N 446.410 -0.675 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 810346384 NLUMSPTWZANBCG-QMMMGPOBSA-N 446.429 -0.931 50 20 IBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 919886613 VLDWTVALHYWOSX-AWEZNQCLSA-N 444.535 -0.008 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032386 PZNAMPQUJADUOX-LHSJRXKWSA-N 446.508 -0.567 50 20 IBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1ccccc1=O 1779264846 KZUSSTOOBNUBHY-KSFYIVLOSA-N 439.277 -0.767 50 20 IBGD CC(C)n1nccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779602323 NXBALJCXYPRFLO-OAQYLSRUSA-N 426.282 -0.099 50 20 IBGD Cn1ncc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1Cl 1779861063 DZOCTVKBPQLIMR-LJQANCHMSA-N 432.673 -0.489 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1783934992 MUBGKSOEPFZTHT-HXUWFJFHSA-N 432.481 -0.777 50 20 IBGD O=C(CCc1ccccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785431474 BBWHUUVMTGQKPU-YYWHXJBOSA-N 437.305 -0.013 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791391873 GQNPSQHWFXQSMB-RFGFWPKPSA-N 442.310 -0.078 50 20 IBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(C)(C)C 1795737667 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COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277454 KTBRMIXJUPJFQI-PXAZEXFGSA-N 430.893 -0.970 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715420 OVSWUPPDUCPSSE-LPHOPBHVSA-N 445.589 -0.555 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033116 UYLCWQPLIIYHNN-DYVFJYSZSA-N 434.331 -0.002 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840155834 JCDOTGFSVXQZDA-XHDPSFHLSA-N 445.822 -0.625 50 20 IBGD N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1840812729 HMHFSDOEAQPRCQ-NRFANRHFSA-N 427.266 -0.870 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840818373 YQEWBTLYJPXZLA-JXFKEZNVSA-N 437.880 -0.007 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842060452 XSBMZQJZSTYTEA-ZDUSSCGKSA-N 446.508 -0.431 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1C 728211565 YBZYVMBNHOTICA-UHFFFAOYSA-N 442.523 -0.409 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)n(C)c1=O 728976511 RVLBNDDEWYGKSZ-UHFFFAOYSA-N 442.404 -0.427 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 744388882 YNCZVLZWYFTXAR-LBPRGKRZSA-N 430.552 -0.385 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 751206452 GQUGUBARJFZFGY-LBPRGKRZSA-N 428.401 -0.019 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(=O)n(C)c2)cc1 763736177 NELNTPUKAFYFPB-UHFFFAOYSA-N 435.462 -0.900 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 764343287 NVNXHPBUNDGEMS-UHFFFAOYSA-N 447.473 -0.237 50 20 IBGD CN(C)CC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 764424279 HHBQJQYSTUDSTE-SFHVURJKSA-N 433.509 -0.034 50 20 IBGD Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 765724984 MZRVAVADRJCMIE-AWEZNQCLSA-N 426.433 -0.798 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1nnc(-c2ccccc2)n1 766636356 NZXPJDBGBUFOCB-UHFFFAOYSA-N 448.487 -0.055 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797674031 NMXZQCPUOAWDLS-NSHDSACASA-N 431.496 -0.547 50 20 IBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 919889470 MSJCQMWSDATOFX-VXGBXAGGSA-N 440.478 -0.426 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ncccc1F 1789052546 OATIGRPUAGZCIG-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1791257495 KCUKVYXMKOFHTC-BJDJZHNGSA-N 429.823 -0.102 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccoc3C1)C2)c1cccc(B(O)O)c1 1795737833 YBPSCQNNMOAAGK-UGNRZPKXSA-N 438.289 -0.032 50 20 IBGD COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740197 CZMXNVNSWMKIQX-HGKCTWBKSA-N 427.266 -0.642 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2ccnc12 1797455712 NPRDWBGRMZPWIO-CCWDJLKJSA-N 428.493 -0.090 50 20 IBGD CN(C)C(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817174571 CTZRLBCRKVQMLR-AWEZNQCLSA-N 428.453 -0.198 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1830534600 CDPOUOLVGQYDQN-MLGOLLRUSA-N 430.303 -0.084 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1832024568 JPJQHFUCZHUKPW-KRWDZBQOSA-N 434.276 -0.438 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833566508 GMGFAICUSILMHY-DYVFJYSZSA-N 432.836 -0.548 50 20 IBGD Cc1occc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834136694 JHSSOWUJCRGHTE-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncs3)CCO2)C1 1834465340 FBNZGGQMXYCFMD-IBGZPJMESA-N 446.489 -0.475 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449687 OGYJVHYFJMSASV-QFBILLFUSA-N 433.933 -0.581 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717867 PXGKBVRTGSKXRE-MOPGFXCFSA-N 446.573 -0.090 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839142840 CEGPBWDWLOCVCW-ORAYPTAESA-N 439.900 -0.286 50 20 IBGD O=C([C@H]1CC[C@@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014387 FPLSHYDSPDSPTR-FUHWJXTLSA-N 425.294 -0.416 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844459250 DOYJNAURHAAINK-UHFFFAOYSA-N 425.405 -0.696 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccccc3F)c2)CCN1 731330444 SGEYWAGMIYKGII-UHFFFAOYSA-N 434.449 -0.050 50 20 IBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc(Br)c2)CC1 743583720 YESLMZMQEGWOAB-UHFFFAOYSA-N 448.343 -0.030 50 20 IBGD O=C(NNC(=S)NC[C@H]1CCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 749645223 HQVDPDZEHWCTIW-CYBMUJFWSA-N 428.536 -0.147 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 759098408 DYRFJVZUABQVAL-UHFFFAOYSA-N 433.446 -0.261 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 764227658 POFBNHXOWHTTTP-CYBMUJFWSA-N 429.458 -0.495 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cccc1S(=O)(=O)NC(C)(C)C 764430015 QGVNVDKRPGZFLT-ZDUSSCGKSA-N 442.494 -0.427 50 20 IBGD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851296 RCHDYMDCXGUEKK-UHFFFAOYSA-N 429.274 -0.022 50 20 IBGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)NNC(=O)c1ccccc1 775913213 JFPXPKMCRKEYCM-UHFFFAOYSA-N 437.430 -0.031 50 20 IBGD COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 778645036 GOGXGKCYHLQNBX-GJZGRUSLSA-N 442.494 -0.165 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)[C@@H](C)O)cc1 779522138 SENZUQCMWOAEJN-ZWNOBZJWSA-N 435.466 -0.452 50 20 IBGD Cn1c(=NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)sc2ccccc21 783352148 ZGJYFNGXFNTBRJ-UHFFFAOYSA-N 443.489 -0.134 50 20 IBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 793392684 TVPQZRRMUOFKCS-JTQLQIEISA-N 437.496 -0.743 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 800054834 JOOBAVDNMHFBPP-GXTWGEPZSA-N 432.524 -0.248 50 20 IBGD O=C(CCN1C(=O)COc2cc(Br)ccc21)NNC(=O)C(=O)NC1CC1 915282840 LZCVHENPKSDMHN-UHFFFAOYSA-N 425.239 -0.009 50 20 IBGD CC[S@@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1778821744 UCWULUSBGWKFQG-WWOZWPLTSA-N 437.522 -0.713 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1779297187 USGSPVXTLHDQLU-HXUWFJFHSA-N 440.617 -0.168 50 20 IBGD CCc1noc(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779635271 QYOLYUUMSUTPLL-OAQYLSRUSA-N 427.266 -0.017 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331524 RDSXXWXREAUFMC-ZYHUDNBSSA-N 432.183 -0.768 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1787509133 VEBCUYIEIZQRQO-RPIBGLMYSA-N 442.480 -0.608 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1793536159 MERDYIDIGVNEDP-APIJFGDWSA-N 431.559 -0.675 50 20 IBGD CCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1794879833 LKHPCFIPXOJSJO-FVCICTRLSA-N 427.465 -0.582 50 20 IBGD Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737323 SIMXUPCHACNVGR-XEMDLRDOSA-N 426.282 -0.917 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccn2ccnc12 1797453396 UIRSGQJGRODNHM-HGKCTWBKSA-N 434.261 -0.469 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1800981669 QGMZETDZPSZQEU-GWCDLVAZSA-N 441.916 -0.700 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801007255 YQUCFRFYRDJEAQ-IDVPMLIHSA-N 425.251 -0.118 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnn1 1807368153 ZLSMKDYSKURKRG-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810348029 ICPSUQUNHTZFDK-WFXMFSGNSA-N 426.901 -0.662 50 20 IBGD CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799521 DGGXUJNGKMDJFP-KOLCDFICSA-N 445.505 -0.108 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1830359463 PKFSAPZLMPIJOS-MRXNPFEDSA-N 441.849 -0.567 50 20 IBGD O=C(/C=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833072945 ZCPYKAKFXIEPLP-WMWRJIBUSA-N 440.261 -0.257 50 20 IBGD O=C(Cc1cccs1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928368 MTLQNOHMMQZHDC-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837735883 CDODHYJFEBBMCI-BLLLJJGKSA-N 426.297 -0.602 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840152306 FCCGQHBILLHVCA-PIGZYNQJSA-N 430.845 -0.788 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1840183470 GLBCTZNJTLMVDR-JOCHJYFZSA-N 448.520 -0.105 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010362 IHZGPUXDQNRZSB-MRXNPFEDSA-N 447.297 -0.931 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 743294288 VAPMWYGOIQGMCL-LBPRGKRZSA-N 438.510 -0.028 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)o1 746393049 VZQVQSXRUWBHQZ-ZIAGYGMSSA-N 440.522 -0.082 50 20 IBGD COc1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Cl)cc1C(=O)O 749141546 FVJONNLSROVLSL-LURJTMIESA-N 429.860 -0.706 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 758033899 AFSCSKUHCXMZKF-STQMWFEESA-N 446.551 -0.052 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763857823 PGJMNEDYPLAMRA-AWEZNQCLSA-N 448.455 -0.092 50 20 IBGD Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765177577 SSWPZKXNSFTGSY-BLLLJJGKSA-N 428.449 -0.946 50 20 IBGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Br 778709681 BHRSKASHNKMVOC-LBPRGKRZSA-N 432.227 -0.032 50 20 IBGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 794722327 WOQBYWAEBZGQBW-VWOPQJGGSA-N 436.490 -0.069 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778358983 QMIMHUHFEQQGSM-LPHOPBHVSA-N 430.933 -0.766 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778413029 JUYDNWWSQOMYEB-OAQYLSRUSA-N 435.249 -0.605 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1cccn1 1782556595 WTGPRLZTQDYWSN-DKZVUGQWSA-N 440.309 -0.048 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1783933535 POTHSRXNXBZIQT-NRFANRHFSA-N 437.541 -0.408 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1786984283 YLENLQHGWBIWDZ-RXWYWUIXSA-N 441.337 -0.700 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607901 UFZZJDANHGMWOB-USJZOSNVSA-N 431.493 -0.131 50 20 IBGD CCn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc1C 1788997341 CUGAEFHVAZBVOH-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801117700 HMHBSMSBVQMDEV-LSSIXWDNSA-N 428.283 -0.468 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1813028036 IWTVLRHUATWZMQ-RZLSGREXSA-N 437.884 -0.061 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)COCCO)[nH]n1 1819403715 BQVKVVIHXHXLPN-OAHLLOKOSA-N 431.453 -0.277 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccno3)CCO2)C1 1834151215 WLRVYVGOVZRTIX-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD CCOCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800612 SJAVZIBEJJCBIZ-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930663 SXMACKCQYSIGMT-IERDGZPVSA-N 434.298 -0.750 50 20 IBGD Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837229504 NKQWBLGTKPBKRF-UHFFFAOYSA-N 441.297 -0.579 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837486574 JVCUPYWJVMJISF-OXQOHEQNSA-N 428.913 -0.259 50 20 IBGD Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185546 OWVNZZBEZNAOIX-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840479630 CVMUFMOLXZIVBR-XEZPLFJOSA-N 445.318 -0.136 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845770811 LTBYCRNIKGGHGL-HNNXBMFYSA-N 430.509 -0.224 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2COCCO2)o1 744642239 ITJUNFQHOHSCGW-WCQYABFASA-N 445.450 -0.828 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nccn2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 746344002 KRJIOWITAMFKGC-OAHLLOKOSA-N 433.490 -0.072 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758040141 OEIOHYWIXKNNTA-RISCZKNCSA-N 425.467 -0.731 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 764227706 QSHMAJRTERAUGT-KGLIPLIRSA-N 439.538 -0.058 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 764231277 NQQCSMJWMORVCE-VIFPVBQESA-N 433.437 -0.411 50 20 IBGD C/C(=C\C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([N+](=O)[O-])cc1 784683773 IOFQKWAIUJWGPP-DHZHZOJOSA-N 441.404 -0.407 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786371877 RZUVHIIGDDIDNI-DTDBQYNISA-N 440.412 -0.585 50 20 IBGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 799257905 VPXDWQYBCJGMEB-INIZCTEOSA-N 426.385 -0.032 50 20 IBGD CNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1Br 806736867 LKWXSQYDGPMDAT-SSDOTTSWSA-N 436.288 -0.101 50 20 IBGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)N2CCN(C)CC2)C1=O 807382529 KMTTYXKDQIRLKJ-FQEVSTJZSA-N 432.481 -0.241 50 20 IBGD CC(=O)N/C(C)=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781461560 JQOAMSAUQMQURL-GTGCVRDRSA-N 443.309 -0.466 50 20 IBGD O=C1Cc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)c2N1 1782409226 PPMBIFHJNYLHPA-HSZRJFAPSA-N 449.272 -0.382 50 20 IBGD Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C1)CCC2 1782437386 VFQJGUOWUDCBOO-JOCHJYFZSA-N 438.293 -0.654 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21)c1cccc(B(O)O)c1 1786984214 QTQCRLXQPHBWMZ-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1793200475 WYAYPSXJJDIKLM-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793617244 MBMAWIPSHYKWMT-OVZMXSCWSA-N 428.283 -0.326 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3c1)C2)c1cccc(B(O)O)c1 1795740603 IVMZMXXIZABPSM-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797801485 RYDKHQUWWDTBNH-JEJJNBGPSA-N 434.331 -0.742 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2 1801011161 JRXVKWQBSSVEGB-IVWMJMPLSA-N 429.481 -0.466 50 20 IBGD O=C1C[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CCN1 1809980568 WCUAMTQRVNMXQT-KRWDZBQOSA-N 427.310 -0.263 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)C1 1809980581 WKYJDGKJMOOZRP-SFHVURJKSA-N 448.350 -0.212 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)CC2)c1cccc(B(O)O)c1 1815360151 AJWGSMNQKHMXKW-HNNXBMFYSA-N 438.274 -0.004 50 20 IBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cnnn1 1826092256 WRIPKWHNMVFXQA-GHMZBOCLSA-N 435.514 -0.324 50 20 IBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1834819724 ZCJOQZUNKPHWNS-QGZVFWFLSA-N 444.282 -0.059 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837468071 ZGXZKIKVTJPEOF-CXAGYDPISA-N 436.962 -0.819 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1 1840185253 NHKVVWPEZXVHDF-DYESRHJHSA-N 435.525 -0.122 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190662 GXTXZIOKZUJIRQ-HZPDHXFCSA-N 427.281 -0.138 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1)NC(=O)NCc1ccccc1 1847104561 BASDEKNKLJVVRK-UHFFFAOYSA-N 431.497 -0.796 50 20 IBGD C#CCOCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 753383922 OVECXDUVDPWRRW-UHFFFAOYSA-N 438.506 -0.380 50 20 IBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 758838117 BKHHWYVKNFKUAO-IBGZPJMESA-N 428.380 -0.226 50 20 IBGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764115401 PVHIRIJXOSZTES-CYBMUJFWSA-N 444.366 -0.261 50 20 IBGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1cc(C)[nH]n1 765586403 SUCWRADLBTUFNQ-CYBMUJFWSA-N 437.478 -0.279 50 20 IBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 792969920 DSSKQKCHIQAJTG-XOBRGWDASA-N 446.464 -0.036 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](O)C(C)C)c(=O)n2Cc1ccccc1 795018410 BXBWKUXDVSJPAR-QGZVFWFLSA-N 442.476 -0.408 50 20 IBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212906 ZFZDAEGKUUJQIC-JTQLQIEISA-N 438.915 -0.474 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781430048 ASLDPMJWHIAMSY-OAQYLSRUSA-N 426.282 -0.607 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1783937878 YHJINPFVIOFMHM-PGRDOPGGSA-N 432.521 -0.207 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(O)C(F)(F)F)[C@H]2C1 1784876766 ALMSMIFIQOPTTG-MRHIQRDNSA-N 438.447 -0.348 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981072 ORSCGIIFPIIIIH-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788490604 FBZRPLQDRNLNNE-KUVFZILYSA-N 430.571 -0.502 50 20 IBGD Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795302734 FAALVTNPNIZMHF-OPMZPASUSA-N 438.289 -0.043 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1796440023 BQGMMRNUVCVZPD-BHTPPFENSA-N 444.492 -0.668 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800756080 FTOWEGMOHALBCF-PNBKFKSVSA-N 431.375 -0.003 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1807366856 PEPNQBSUVHVSMX-FUHIMQAGSA-N 436.277 -0.783 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807799099 DPHIDBWGJHXAQY-QFBILLFUSA-N 434.265 -0.179 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731277 JYMYDFOERNOLPZ-QFBILLFUSA-N 426.901 -0.111 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)O1 1835936749 BKDYRBJMBXWPEY-FPDPHYFHSA-N 432.282 -0.996 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1835938357 SWULBDNMOLIKBG-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938455 VWPAPNXOJSQDIR-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccco1 1836124719 NMOPQIMNGBXVGP-ACJLOTCBSA-N 429.857 -0.935 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837460602 HSIZHYVIQMGVAU-NRFANRHFSA-N 447.492 -0.940 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837460613 HSIZHYVIQMGVAU-OAQYLSRUSA-N 447.492 -0.940 50 20 IBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1837980443 AEIQOBKCBNAQBC-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)CCN1 1839202700 NDDZUVPGFLMKFO-PVXIVEMSSA-N 436.278 -0.341 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 729276352 DAGAUGGIWOBLBR-RQJHMYQMSA-N 441.329 -0.286 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 744516694 OONHTAVZXCVCDD-UHFFFAOYSA-N 442.409 -0.293 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 745476252 CTAWOVOQSCDRKK-BHTHQVBYSA-N 435.820 -0.193 50 20 IBGD N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748247643 SZVMCRBQEHAESR-UHFFFAOYSA-N 433.490 -0.271 50 20 IBGD CNC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 753804781 XFVPDXGVONHDSA-JTQLQIEISA-N 425.389 -0.422 50 20 IBGD COc1cccc([C@@H]2[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC(=O)N2C2CC2)c1 758056740 SOOJYFOIAUUHHH-XNJJOIOASA-N 438.506 -0.168 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1-c1cccc(Cl)c1 764226446 IRUGLFSUMVDBJD-VIFPVBQESA-N 428.858 -0.451 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CCN(C)CC3)CC2)cc1 766636189 MFQDZXFDFCBVCW-UHFFFAOYSA-N 437.566 -0.209 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCS(=O)(=O)CC2CC2)cc1 767224802 UUIRCXZEYVVWGM-UHFFFAOYSA-N 446.551 -0.229 50 20 IBGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1ccc(OC)cc1OC 812884291 MBBWEFSWUMSUKP-LBPRGKRZSA-N 442.494 -0.317 50 20 IBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)COc2ccc(Br)cc2)C1 816810237 DZYNVYYFYIHVKH-SNVBAGLBSA-N 435.300 -0.109 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1781997758 FZFBTOLSSMTOIH-SFDCBXKLSA-N 433.347 -0.124 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1cncn1 1782528135 CTSJULYMKZHMEY-FQELHTAISA-N 441.297 -0.653 50 20 IBGD C/C(=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)O 1783156324 SLASWDGVHOECLK-HAWPGTPQSA-N 430.266 -0.475 50 20 IBGD CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795740572 AVOKZJLOEKPXTI-OPVJXMOQSA-N 429.326 -0.699 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)n1 1797911283 QRMRJJAOLZSDAG-HLPPOEQASA-N 426.901 -0.524 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801066029 OCVFVVKTRGAXLR-ASFMSOSWSA-N 444.492 -0.764 50 20 IBGD Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804743274 FNDWALSKJSIYGM-VQIMIIECSA-N 434.265 -0.477 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365030 WHHWAQKTYUIEPK-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD CC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403927 NXUJRLHSXQZJMA-OAHLLOKOSA-N 428.453 -0.150 50 20 IBGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725412 OHPLQSGOVRZVEP-KDOFPFPSSA-N 428.873 -0.455 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834475252 LAKKAXQXWSFYDZ-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1835939914 NMRQWSYILQRKQK-ATZDWAIDSA-N 440.664 -0.639 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836161887 MGKFQGHNPMVHNL-NRFANRHFSA-N 433.509 -0.547 50 20 IBGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1836201837 AQBTXKLPYRUOLK-FQEVSTJZSA-N 436.513 -0.979 50 20 IBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459869 NQAGUZHDYBXBNM-OREJSRFESA-N 431.493 -0.199 50 20 IBGD CC(C)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461146 PJIJRFRVDHCTFX-YEFOHOTDSA-N 431.493 -0.033 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1837512604 RHDCLBSCVXTLQW-HNAYVOBHSA-N 433.933 -0.642 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840155832 JCDOTGFSVXQZDA-IAQYHMDHSA-N 445.822 -0.625 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccc(O)cc2)ccc1Cl 727493824 WAXGOIVTTJITQW-UHFFFAOYSA-N 426.838 -0.116 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(S(C)(=O)=O)cc1 730570703 KNUVRWBHMIVMEQ-UHFFFAOYSA-N 425.492 -0.485 50 20 IBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1=O 733125590 ORRGSOCUKIDJHH-NVXWUHKLSA-N 426.481 -0.244 50 20 IBGD COCCN(CC(=O)NNC(=O)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 733193164 GSXHJQZWAPEALA-UHFFFAOYSA-N 430.465 -0.410 50 20 IBGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 735511987 JMFUMBXQNWOTIK-UHFFFAOYSA-N 435.448 -0.062 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 740812452 JPKOSXKNUHUPMT-UHFFFAOYSA-N 426.495 -0.227 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 740849552 DYNYTYXTHYXZLM-UHFFFAOYSA-N 426.495 -0.227 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)[C@@H]2COCCO2)c1 746022837 QOHYADGGMVHDMP-HNNXBMFYSA-N 442.494 -0.990 50 20 IBGD COCCn1cc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 747777045 BVVDATHXUVBVFH-UHFFFAOYSA-N 445.523 -0.532 50 20 IBGD COc1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1S(N)(=O)=O 760955908 ACMOGIMTGHGBHM-UHFFFAOYSA-N 442.475 -0.346 50 20 IBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763873267 UPPQPKSTAKDBKO-CQSZACIVSA-N 448.455 -0.092 50 20 IBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 764082146 CBEVCYAMFVCOCQ-NSHDSACASA-N 430.458 -0.021 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 764226126 GCERLYDZUMFKEM-LURJTMIESA-N 437.356 -0.130 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 764401916 ZKLDUYIYBFUNRB-OAHLLOKOSA-N 449.508 -0.860 50 20 IBGD COc1ncnc(N)c1C=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764819248 QDDFTYIKSQIPRS-UHFFFAOYSA-N 447.521 -0.168 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@H]2OCCc3ccccc32)n(C)c1=O 765725006 NUWHFAOZTGXAHC-CQSZACIVSA-N 426.433 -0.715 50 20 IBGD CN(C)[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1 766642963 IGUWQPQODGZLJX-AWEZNQCLSA-N 447.883 -0.463 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)n(C)c1=O 770424326 LWLQROWFYOCSOO-UHFFFAOYSA-N 428.405 -0.944 50 20 IBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1OC(C)C 799258487 BAHJVKTUCVROGN-SNVBAGLBSA-N 444.466 -0.716 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778559606 HZFWBPCLNHGLAN-QFIPXVFZSA-N 438.293 -0.344 50 20 IBGD CSCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034724 UCJYNWWEGAKFAA-DNVCBOLYSA-N 437.522 -0.757 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783397276 ZHKAOZHCCUGVAX-NRFANRHFSA-N 447.297 -0.665 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933226 FAHSTVOOKSBKNM-HXUWFJFHSA-N 425.530 -0.648 50 20 IBGD O=C(Cc1ccc(O)cn1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784640502 AFOUPTWTBXFKOF-NRFANRHFSA-N 425.250 -0.847 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3O)C[C@@H]21)c1ccc(B(O)O)cc1 1786981775 KTHJLFPYWIBLGH-DCPHZVHLSA-N 440.261 -0.315 50 20 IBGD C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CCCN1 1788610179 NZYBOVIACPTRRY-YCFGMDTISA-N 430.509 -0.580 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1794332448 ZKSOKLQGVZNAEK-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2)[C@H](F)Br 1799346598 DJFRFSWGIHWGER-OSUNSFLBSA-N 427.292 -0.156 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1801011959 ZBAZSDIZCHKUNM-FVCICTRLSA-N 433.465 -0.614 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732122 RPTAAIYOPNHKBB-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834315240 SHXGSVCHAYFXAP-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1837460700 JNUUYNYNRAQDDE-FQEVSTJZSA-N 431.449 -0.941 50 20 IBGD CN(C)c1ccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 729689430 JXXDBNMHCBTOTM-UHFFFAOYSA-N 444.521 -0.092 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731757731 DEZDPELMJQCJAC-UHFFFAOYSA-N 443.445 -0.021 50 20 IBGD CN(CCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1=NS(=O)(=O)c2ccccc21 741894469 IKIXZECDGHCZHM-GFCCVEGCSA-N 442.519 -0.570 50 20 IBGD O=C(CCN1CCCS1(=O)=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619281 MANOPSQSMIIFIG-UHFFFAOYSA-N 432.524 -0.424 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 755454253 WWWUBKCVWYGUGV-LLVKDONJSA-N 435.528 -0.194 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 756838339 MAXSMGFVKWZTAU-MELADBBJSA-N 426.474 -0.277 50 20 IBGD C#CCNS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 761036837 FATZVTPSAQNBGC-UHFFFAOYSA-N 443.913 -0.805 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc([C@@H]3CCOC3)c2)n(C)c1=O 761489418 WINHYANJPCUHJU-CQSZACIVSA-N 426.433 -0.601 50 20 IBGD CC(C)(C)OC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 765386520 MMCNZGUYMNFHKN-UHFFFAOYSA-N 441.466 -0.699 50 20 IBGD CN(C)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005390 YHVWFKAXONSGPZ-UHFFFAOYSA-N 447.473 -0.269 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814327412 GKJAIKNKGACRKD-ZDUSSCGKSA-N 430.425 -0.872 50 20 IBGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814330025 IPEHHSCMRYUPIT-UONOGXRCSA-N 435.510 -0.072 50 20 IBGD CC(C)NC(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916268572 TVQLLVAZNKCOAY-UHFFFAOYSA-N 427.531 -0.442 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979951 SPJPFETZVPNWLN-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2)c1ccc(B(O)O)cc1 1795734649 XHAUJYQIYAFOKE-MXNKGDRCSA-N 449.316 -0.716 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCc1ccncc1)C2)c1cccc(B(O)O)c1 1795737244 JTGPZELQQLTUFV-HATOLVCRSA-N 437.305 -0.013 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751649 LORYSHRYCUHHGP-RMHZUWNSSA-N 431.493 -0.539 50 20 IBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)c(=O)nc1O 1803146708 BSSAUSSPYYOXSH-INMHGKMJSA-N 449.895 -0.042 50 20 IBGD O=C(c1ncn(-c2ccccc2)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728558 UTFLVXMUPJTSQN-JXFKEZNVSA-N 449.895 -0.063 50 20 IBGD Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834335159 PZROWRWELZAFFS-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1835479819 RNDBDMRNVHAZHL-GOSISDBHSA-N 429.993 -0.595 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1835929152 CIMQPQFOCKGOJA-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458782 BPWNOEXRMHOWHJ-YCRPNKLZSA-N 449.508 -0.431 50 20 IBGD Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C1)CCC2 1839581077 CPXQSSQYYHZJOM-HNAYVOBHSA-N 426.901 -0.422 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839963569 OJNBTOBFZSRGOZ-IGCXYCKISA-N 449.346 -0.791 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2c(O)nc3ccccc3c2=O)n1 728721738 FOAJETGVLFRRCS-UHFFFAOYSA-N 431.430 -0.200 50 20 IBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1C 741144270 OMIJIGZONHUCLV-LBPRGKRZSA-N 438.462 -0.111 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 758035060 JQCOYCJFTKGWJG-WDEREUQCSA-N 426.524 -0.007 50 20 IBGD CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 762549541 SUJKAMPCCSVBRC-CQSZACIVSA-N 430.914 -0.274 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1OC 767025254 NUXSCZULSDAGJO-INIZCTEOSA-N 433.509 -0.297 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC2(O)CCOCC2)cc1 807449084 JFVSEWXRMUFDBH-UHFFFAOYSA-N 428.511 -0.122 50 20 IBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1OCCc2sccc21 815827118 MSJZSJNJCDALOX-ZUZCIYMTSA-N 446.489 -0.407 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914651478 MBQMBDWPPLCMOT-CABCVRRESA-N 437.474 -0.665 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029601 VHQNJIFXDUMHLN-NRFANRHFSA-N 441.492 -0.207 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnc1)C2 1779371030 HXWWRHWUYLDTFX-DYESRHJHSA-N 441.492 -0.291 50 20 IBGD CN1CCC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1783653918 NSGBVZAOHCZEPG-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)nc1 1792362830 MVPWYHBYOFGSCF-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800592154 VCAGFMSYHISJLI-KYHPRHEASA-N 447.297 -0.539 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806817329 ZFJHBTPELQIMRK-QINHECLXSA-N 430.509 -0.261 50 20 IBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814561652 RTRMWNWIHNJAKD-HNNXBMFYSA-N 444.322 -0.619 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1831870947 IZKUTDQBRYVGCN-SJORKVTESA-N 438.573 -0.428 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832380430 LIMHDGYBTOHYDA-UGSOOPFHSA-N 430.889 -0.695 50 20 IBGD CC[C@@H](C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833498343 XIQHAIWPOATXGM-IIBYNOLFSA-N 445.369 -0.041 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834355688 CAUOSRDITJFDML-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736401 PKXINZABFLDPJC-DOMZBBRYSA-N 446.390 -0.066 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1835932119 ORUWQAXVOSZNBG-HXUWFJFHSA-N 431.229 -0.783 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139802 WVVDWNZKCQYODB-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837201056 DWRHRDAXSAEMJH-UGSOOPFHSA-N 435.905 -0.228 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)C(=O)O 1839198872 DSGFAYPVYIPXIH-IFUGULHKSA-N 440.266 -0.804 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@@H](N)C(N)=O 1848099648 REIFWBPVIHHXSN-RFGFWPKPSA-N 445.948 -0.087 50 20 IBGD O=C(COC(=O)c1cnc2sccn2c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 729117281 VTSUKEUBSVCYTB-ZDUSSCGKSA-N 430.398 -0.100 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 756839413 RRZCUZCFPXANGB-UHFFFAOYSA-N 442.436 -0.641 50 20 IBGD CN(NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788916509 PELGAYHKTYGIIK-UHFFFAOYSA-N 444.514 -0.078 50 20 IBGD Cc1cccc(Br)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 813488379 TZIBONVSUBOPQO-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD O=C(NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)[C@@H]1CCS(=O)(=O)C1 913181230 KJYMSJVWNOGHDB-XBFCOCLRSA-N 429.495 -0.450 50 20 IBGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914719750 PNPADYQUQWCUDR-HXPMCKFVSA-N 434.474 -0.433 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1117441244 KINUMNJPCAZSDQ-QGZVFWFLSA-N 448.545 -0.193 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778395474 VVUUZJQQDVAKJN-JOCHJYFZSA-N 443.504 -0.002 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783940179 VSFLBBPQXKYKHU-OXQOHEQNSA-N 425.530 -0.506 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784803757 QCBJJAHGBDOPRV-UGKGYDQZSA-N 429.326 -0.317 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786845147 QLBKHZSINGZNHY-FQUUOJAGSA-N 430.347 -0.020 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1791055715 GJFJADJKQYVUKC-XSEXMBABSA-N 434.331 -0.600 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288862 YPAGTJFFVKWEGL-OWSLCNJRSA-N 434.541 -0.128 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791625705 NUDJTUCWDPHQEU-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccccc1 1795379737 OGRPTICBUQZTLY-QXGSTGNESA-N 439.472 -0.378 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2)[C@H]1SC(=N)NC1=O 1796878201 QXODKEDEKYWUPH-GUYIQFIESA-N 438.554 -0.200 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2 1797754251 OKXFUKSYKRGIKS-XHURMGOSSA-N 437.460 -0.608 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CCC3)C2 1801012695 GIEZJTOSPCZZLE-HBCWATKFSA-N 432.525 -0.515 50 20 IBGD CN[C@@H](CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C(=O)O 1809976874 UOEBXVGPSHPPGT-KRWDZBQOSA-N 431.298 -0.726 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1810294530 LPTCPZYRQWWABQ-RRQGHBQHSA-N 446.895 -0.001 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817470150 KLIXCHAETAXROH-INIZCTEOSA-N 441.253 -0.152 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)C3CC(O)C3)CC2)CC1 1833275868 NEUJCIRRGKVOJE-UHFFFAOYSA-N 444.536 -0.359 50 20 IBGD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1834046987 QCDYOINPTISAKQ-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834821678 TWGNAKAKPLVQKW-MLGOLLRUSA-N 435.319 -0.325 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835934452 SUGCUUUMXHGJQQ-KRWDZBQOSA-N 431.081 -0.760 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840151951 SGKVLIZRJVFOQH-FXAWDEMLSA-N 446.976 -0.666 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381658 QBDRXDVXOSHJPT-BLLLJJGKSA-N 433.918 -0.393 50 20 IBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)c1ccco1 725740375 ULYNSTKOGKLGNS-UHFFFAOYSA-N 433.446 -0.324 50 20 IBGD COc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)cc1C(=O)O 749144244 VLCIZIUZAWDTFK-ZETCQYMHSA-N 441.871 -0.274 50 20 IBGD COCCOc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756213651 YRYWXWKIMUZHCH-UHFFFAOYSA-N 445.436 -0.688 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)c1=O 763570460 FDIDAUIYQONGEV-MRXNPFEDSA-N 438.400 -0.503 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 764232681 SVPHFNKNCOJKEP-GFCCVEGCSA-N 443.551 -0.741 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Br)c1 764232722 TWVDVVSJSYNHRO-SSDOTTSWSA-N 437.272 -0.519 50 20 IBGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 764329218 VGHGTJGGUMIHEP-AWEZNQCLSA-N 438.444 -0.088 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 767236083 GULYZCVSFQILMA-UHFFFAOYSA-N 432.458 -0.274 50 20 IBGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 776275152 FCTOYYBMHBOWMU-GFCCVEGCSA-N 431.492 -0.429 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 780382718 LBJUKPVQSPAWSZ-UHFFFAOYSA-N 446.532 -0.262 50 20 IBGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)C2 786433371 YLHDKEMVYTZJFT-UHFFFAOYSA-N 435.872 -0.937 50 20 IBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799520240 PTDHGCUXLYFEDR-UHFFFAOYSA-N 437.463 -0.806 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782790113 XGRSYROZHXYRPK-ACJLOTCBSA-N 442.856 -0.160 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610074 BEXMMZFRGOJFSI-ZUXXIDCJSA-N 446.508 -0.855 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21)[C@H](F)Br 1789921234 CXGKTNAQHXOXTM-YVNDNENWSA-N 435.250 -0.792 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1791057382 UMECZZSSPLBVIV-DGORSVRFSA-N 431.287 -0.652 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791530171 OPZFFGJBDYVLQA-FPXQBCRKSA-N 446.552 -0.133 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737716 LVYAMZWMPOIHPX-ZIEJDFEHSA-N 439.115 -0.399 50 20 IBGD C[C@@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740573 INHUUTSECLZSGX-RMYQPGKMSA-N 437.305 -0.157 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cncc1F)C2 1801011811 HAXMJYSZWYXCFW-KSPBDQMDSA-N 425.436 -0.064 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1801012982 JAMMDPVZEYJLCC-ZSBFGKGUSA-N 436.538 -0.469 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CCN1 1822478465 IFWHWLSPHGGWBU-GUYCJALGSA-N 439.281 -0.078 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1826085315 MIOPUGSHOKWAGF-MNOVXSKESA-N 439.542 -0.979 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827055338 XSLKVQKSYLZAEK-RTBURBONSA-N 427.310 -0.122 50 20 IBGD O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730727 CHNOENAPSDWPKN-LKFCYVNXSA-N 441.794 -0.507 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833215253 STJAXFDXOICDRW-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(F)(F)F 1835932306 YPBYISBOGYCMBD-GOSISDBHSA-N 442.199 -0.445 50 20 IBGD COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840182263 BEKMOAOMCBFGOK-HXUWFJFHSA-N 426.514 -0.758 50 20 IBGD O=C(COc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189732 JBBDHQFHKZDVBB-MRXNPFEDSA-N 435.264 -0.179 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840480062 MMXZTVNKHZIPTO-ZOWXZIJZSA-N 431.291 -0.526 50 20 IBGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)CNC(=O)c2ccco2)C1 728952413 XEQCGTYKELFYLV-ZDUSSCGKSA-N 437.453 -0.516 50 20 IBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O 746092271 IBDVOWWVFIDHMK-GOSISDBHSA-N 430.553 -0.244 50 20 IBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)Cc1cn2ccccc2n1 749855210 CUGCKFMEXVIGKV-UHFFFAOYSA-N 445.447 -0.098 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750266043 HDRPHYNIPCWBSC-UHFFFAOYSA-N 427.439 -0.488 50 20 IBGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 750269205 XCBQKMXRICPJCT-NSHDSACASA-N 432.528 -0.652 50 20 IBGD C#CCNC(=S)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 758176107 OYNFVVSHUDCLNY-UHFFFAOYSA-N 439.501 -0.444 50 20 IBGD CCC(=O)N1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 762380940 ACEPCIHNFRSJAN-AWEZNQCLSA-N 439.542 -0.345 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 764398595 VCOYCYOVLYYZAN-CYBMUJFWSA-N 444.510 -0.147 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 765127600 WSYLZTORJHDAMZ-UHFFFAOYSA-N 440.869 -0.595 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767352224 CSMJNFGHDMKWKW-HLEHAOMOSA-N 443.456 -0.221 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770958825 PELPICOXSZYMFJ-SECBINFHSA-N 437.486 -0.170 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 772038850 VLKYNSSSUCBDSB-SNVBAGLBSA-N 427.435 -0.420 50 20 IBGD CCn1cc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 780928231 XMJYNXSILZYYEK-UHFFFAOYSA-N 448.549 -0.092 50 20 IBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc2O1 784000454 VLSOTHUPVNRXQE-OAHLLOKOSA-N 431.449 -0.923 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)c1 784088983 JOEBVXWUVKAHFE-UHFFFAOYSA-N 426.476 -0.341 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)c1 810106024 HTIILVOOUJWGIE-UHFFFAOYSA-N 429.451 -0.031 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778602432 VHBAMUXEXMFARH-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779255017 GTZLIERJPGNRJU-QRWLVFNGSA-N 425.530 -0.506 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1779296695 ZKLBCQYOPSMXNE-LJQANCHMSA-N 435.557 -0.079 50 20 IBGD O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782450701 LJHULFAXERXOOA-WIYYLYMNSA-N 441.297 -0.824 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782839161 MELBMRNTABVUDP-NZQKXSOJSA-N 435.289 -0.153 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cn[nH]c3)C[C@@H]21 1788611446 CEVWBYBRDGOEEW-WBAXXEDZSA-N 441.492 -0.366 50 20 IBGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1793986133 AJZNBYMDUIHAAW-VPTLXERWSA-N 439.277 -0.784 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795738714 CHTKPXRBTDCART-OYGISIJKSA-N 445.281 -0.901 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368766 YOSPCHQVPYNJJR-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832471227 KBUVUYYAWTXMKU-SFHVURJKSA-N 430.889 -0.740 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632253 GWQJBJNLOLKZET-SUMWQHHRSA-N 446.346 -0.686 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836056483 NENVNSNGYMSBGL-OAQYLSRUSA-N 448.524 -0.761 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718652 YBOFOFUONDBQIM-IAGOWNOFSA-N 433.933 -0.264 50 20 IBGD Cc1c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cn2[nH]cnc(=O)c12 1844655939 JYRXZBHVTISDNV-UHFFFAOYSA-N 435.249 -0.858 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 744495317 MHWREBXUVREUGE-UHFFFAOYSA-N 441.425 -0.399 50 20 IBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758527573 MKNNTLXJAIZBLK-NSHDSACASA-N 432.362 -0.373 50 20 IBGD COC(=O)c1cn(C2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)nn1 759256248 DGFBCEIBFYINSP-UHFFFAOYSA-N 435.466 -0.066 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)COc1ccc(F)cc1 763008141 DMGDTOBUKOPWOH-NSHDSACASA-N 438.437 -0.182 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3cccc(Cl)c3)cnc2n(C)c1=O 763750244 LTWQVTHIHXOYBE-UHFFFAOYSA-N 430.808 -0.315 50 20 IBGD COC(=O)CCSc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764225689 CANHVINQAHPFJU-JTQLQIEISA-N 446.507 -0.635 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 764231271 NQQCSMJWMORVCE-SECBINFHSA-N 433.437 -0.411 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(C)c1=O 765127148 UXSKFVLLUKSJQO-UHFFFAOYSA-N 448.505 -0.259 50 20 IBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)O)c(=O)n2Cc1ccccc1 786728124 BMPIVWVYRVGMOK-AWEZNQCLSA-N 442.476 -0.408 50 20 IBGD Cc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(S(=O)(=O)N(C)C)c1C 919886375 VYSOKMPQFAVQMT-ZDUSSCGKSA-N 432.524 -0.315 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc21 1778381254 SDJFQLSKZZYFKM-RDTXWAMCSA-N 425.873 -0.940 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778730398 NADHNJLIWMIHHP-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032389 PZNAMPQUJADUOX-SZNDQCEHSA-N 446.508 -0.567 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786981102 RTTCEFYZJXOPSA-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1ccccc1=O 1788750200 AAIPOFOOVLWJCX-XSLAGTTESA-N 447.536 -0.238 50 20 IBGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797811886 ZULDJJWLTHMMDI-NKFKEYGXSA-N 445.281 -0.901 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799152175 AWMJBBUALJZKPF-RRDHSJHKSA-N 449.552 -0.650 50 20 IBGD Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360351 AQWGLXCNFHBRDP-LPHOPBHVSA-N 434.265 -0.477 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cnnn1 1813468184 DRGTXDRAYJPECQ-BJZITVGISA-N 449.280 -0.671 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cnnn1 1813468190 DRGTXDRAYJPECQ-LSBZLQRGSA-N 449.280 -0.671 50 20 IBGD CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)C(=O)O 1815086525 MYVMWUOBUHOMCR-JQWIXIFHSA-N 440.526 -0.509 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829953616 JTURRKREXKOQIC-DNVCBOLYSA-N 427.574 -0.180 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959541 HCBAKTHERRFHIN-GDZNZVCISA-N 432.315 -0.248 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362387 UVVVROWHUQMFDU-FZKQIMNGSA-N 435.905 -0.228 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830957565 CXFIERAHKZKEMH-APWZRJJASA-N 428.917 -0.019 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831697109 PXNGZCZYKZTNQH-BEFAXECRSA-N 433.933 -0.141 50 20 IBGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1832284619 GDGVRJCRZRWAGM-DNVCBOLYSA-N 440.313 -0.153 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834255754 TZCYHXQLFIENBN-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837457803 RTUGLAHUXOVYLL-NRFANRHFSA-N 447.492 -0.818 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)n1 1838674789 WVTOZHLNHDFQTK-OAQYLSRUSA-N 449.508 -0.461 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838843862 SMIQOEKCNKNHEK-HXUWFJFHSA-N 448.668 -0.003 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839225136 YOPIFIFGFNEYBV-HRAATJIYSA-N 447.297 -0.763 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1840182734 RPLASVGRHWNGOD-FXAWDEMLSA-N 428.530 -0.777 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 726615053 XADWIPZIRUZTFY-AAEUAGOBSA-N 432.886 -0.864 50 20 IBGD CS(=O)(=O)NCCNC(=S)NNC(=O)CCN1CCN(c2ccccc2)CC1 727063485 AVMBNJJJLFJGRE-UHFFFAOYSA-N 428.584 -0.757 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(OCC#N)c2)n(C)c1=O 755934619 WHXDTDSDUNYYCD-UHFFFAOYSA-N 426.393 -0.811 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(-c3ncco3)c2)n(C)c1=O 757769889 FLWFXXWULWMKFB-UHFFFAOYSA-N 438.404 -0.058 50 20 IBGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764230370 HJVJWWVDWKATTK-WDEREUQCSA-N 428.467 -0.938 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1C1CCCCC1 781346478 JYOGLSLJPYHKHC-UHFFFAOYSA-N 442.480 -0.095 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033660 BBQXJONOFFUEJF-DIFFPNOSSA-N 440.298 -0.088 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779964675 FXXWVLTXFXTPPK-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330699 DEGZIHBPGTVZMK-XJKSGUPXSA-N 429.051 -0.500 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782707005 DAJBVYLONLGEPX-XCLFUZPHSA-N 449.464 -0.310 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783337159 ZKTDEOSGXLAGDB-OFNKIYASSA-N 438.289 -0.587 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783344075 YIFNOBVOZZTYHM-RISCZKNCSA-N 442.247 -0.285 50 20 IBGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n[nH]1 1785839576 LIKLXXAITNAKLB-QOKNQOGYSA-N 440.265 -0.801 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1788764972 ZBDIEZNQBGDOFZ-OVWQWFNUSA-N 429.590 -0.532 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(O)ccc1O 1790263873 ZRKCPFZSUNEEKD-DCPHZVHLSA-N 440.261 -0.315 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc(O)n1 1795734193 IVBXEMJZHTYILQ-HGKCTWBKSA-N 425.250 -0.708 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796102984 DPYJWEBYBNDZNF-ZSBFGKGUSA-N 429.481 -0.695 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801358275 KXSPMAJUCZXDKA-UGHHZANQSA-N 442.480 -0.437 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1810304300 BYGVOWRHPDCIJB-HNAYVOBHSA-N 442.476 -0.591 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835929290 JLLSRCHLYUEBBY-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)c(=O)[nH]c1C 1848322303 SJCCTQVHFVRUOP-GJZGRUSLSA-N 425.449 -0.486 50 20 IBGD O=C(COC(=O)c1sccc1-n1cnnn1)NNC(=O)[C@@H]1COc2ccccc2O1 728324112 PMMAXJKJJJMWKG-ZDUSSCGKSA-N 430.402 -0.132 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 764226150 GGHMTEPNKIVXNH-SECBINFHSA-N 445.885 -0.510 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)Cc1ccccn1 764266305 AGYSFIVVOJVWRH-UHFFFAOYSA-N 431.474 -0.389 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 764430087 SGTHSKDIGPFBIB-MRXNPFEDSA-N 439.432 -0.382 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCc4n[nH]cc4C3)nc2)CC1 767115217 FZJGVURCMPXSIA-AWEZNQCLSA-N 434.526 -0.076 50 20 IBGD COCCc1nc(C)c(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 770613909 BFXRLHZORRTDEA-UHFFFAOYSA-N 433.494 -0.072 50 20 IBGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772885348 ZTGCHAPEENPKRF-UHFFFAOYSA-N 428.858 -0.962 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)c2ccccc2c1=O 782702730 TUVWUJLLEAFHAK-UHFFFAOYSA-N 430.465 -0.448 50 20 IBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC1 789845318 KUTCFSISJAVUNR-IRXDYDNUSA-N 431.493 -0.031 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CN(C(=O)OC(C)(C)C)C1 794524211 JKSAFOMYLVZBKO-UHFFFAOYSA-N 433.469 -0.207 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1OC 800049341 IORMRUGGXGQCLS-UHFFFAOYSA-N 448.432 -0.127 50 20 IBGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778817 GXSRNDPXWWINHQ-HHSBIGSDSA-N 437.478 -0.236 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778585675 RQWVNIMHQRTMFY-JOCHJYFZSA-N 434.261 0.000 50 20 IBGD Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779029136 RCFFIYVORNNIJP-LJQANCHMSA-N 429.437 -0.937 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1779032103 LNDNHWHJFJDDEA-IBGZPJMESA-N 445.867 -0.114 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781268353 NYMBQKOVFCAYNS-OAQYLSRUSA-N 430.266 -0.681 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1CCC(CO)CC1 1785053875 OREDWAXQLOAOEM-JOZKFPCRSA-N 444.337 -0.242 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2 1797750940 XWXPPJPKWYUEGP-CCWDJLKJSA-N 430.509 -0.626 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2nccn12 1799994190 UPYGXABRLASKEF-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803139129 SZMFMILQSQAKRC-SZMVWBNQSA-N 431.685 -0.319 50 20 IBGD Cn1nc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cc1O 1807369096 AJPKEAXFHDNWEU-OXJNMPFZSA-N 449.276 -0.166 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811449689 AZITYDBCUHYUPN-OXJNMPFZSA-N 447.260 -0.522 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054556 GWPFHOLXUFDDHX-OALUTQOASA-N 444.341 -0.808 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538848 RSIZQZRHDCJHSQ-GDZNZVCISA-N 449.346 -0.079 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833409437 AYJWORWBTSATIW-ZBEGNZNMSA-N 431.287 -0.021 50 20 IBGD O=C(CCc1ccoc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933830 GXACSOWRKGVDFR-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840184013 NPBZTVSTFFYLSR-UNMCSNQZSA-N 448.520 -0.451 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)n1cnnn1 1840479232 QAOXXWSHJBWQOY-KCXAZCMYSA-N 435.312 -0.073 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840829807 QQVKMGCPNWUVBP-ZWKOTPCHSA-N 432.468 -0.139 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCO3)C2 1844264345 JAKLPRZFJMKNLU-UHFFFAOYSA-N 425.449 -0.205 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCO[C@@H](C)C2)cc1 726257381 QWBFOJJZWRDFFW-HNNXBMFYSA-N 427.527 -0.333 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 744686295 QFWCWZMKFFIWMF-GJZGRUSLSA-N 437.474 -0.665 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(S(N)(=O)=O)cc2)c1 749729618 DMTKIZJPONBTIH-UHFFFAOYSA-N 427.460 -0.423 50 20 IBGD CCn1nc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c2ccccc2c1=O 755046370 OGIPNISIDIZJNK-NSHDSACASA-N 447.477 -0.722 50 20 IBGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1 764133110 TXHBTPDFXQTKJZ-UHFFFAOYSA-N 442.428 -0.073 50 20 IBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765732326 HNWUKRWGWGHCFF-UHFFFAOYSA-N 429.477 -0.479 50 20 IBGD Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 794887250 RXVXMOWTAGVHSV-UHFFFAOYSA-N 428.478 -0.202 50 20 IBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 919889469 MSJCQMWSDATOFX-RYUDHWBXSA-N 440.478 -0.426 50 20 IBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@H](B(O)O)C2)c1OC 1261844210 HARMQQNYPOTDLO-LBPRGKRZSA-N 428.272 -0.586 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 1317717559 ZCGHILOYDSEGNG-NSHDSACASA-N 434.565 -0.031 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1783969390 LTFRGUXJUUMASC-MOLYVOAJSA-N 445.314 -0.405 50 20 IBGD O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788601774 JYNMZRQNFZCIMT-DTUAVKEFSA-N 442.325 -0.569 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1CCCCO1 1793769673 NWVBCCHYVFKUPQ-NXEZDXNNSA-N 431.493 -0.153 50 20 IBGD Cn1ncc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)ccc21 1795734433 OSNHVNCUVUGBFG-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc[nH]1 1795784996 IUHAXKUEFISJGZ-HBCWATKFSA-N 426.477 -0.151 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350157 SUSIKPOPLPIXDK-OTMMVIPVSA-N 444.261 -0.421 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1813028237 LYPFBEKSJMUCFE-KEYYUXOJSA-N 437.884 -0.107 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470027 GGHKOAIAOPSDEK-MRXNPFEDSA-N 448.310 -0.170 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364380 HWRPOWNUKLJPQE-BEFAXECRSA-N 433.933 -0.141 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)o1 1830731579 MMEQYIDNIBYPMW-ACJLOTCBSA-N 429.857 -0.092 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1830737074 CSAUVXJFPXRDGA-NRXGSXMXSA-N 426.901 -0.429 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831330717 VGWHKZXFMUCJIS-GRDNDAEWSA-N 439.962 -0.212 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357159 IGNNUIYYHWLTBN-VRMLFSPKSA-N 430.465 -0.119 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1)C(=O)O 1835763856 NWUADQDTLOSEJT-XHBSWPGZSA-N 436.303 -0.711 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n[nH]1 1835928360 MNBPJYAFHZYVSJ-OAQYLSRUSA-N 442.281 -0.964 50 20 IBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccco1 1836124721 NMOPQIMNGBXVGP-SCLBCKFNSA-N 429.857 -0.935 50 20 IBGD COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457186 ZIULWZRVUOPBJT-HXUWFJFHSA-N 435.481 -0.820 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837515576 RMLUVFLHGDZSDW-KVSKMBFKSA-N 433.933 -0.499 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840129336 QJVXNJWSMGPYIK-QVKFZJNVSA-N 432.282 -0.948 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840152966 ZWJUTHMLSCFWTN-IAQYHMDHSA-N 428.816 -0.193 50 20 IBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCO1 742054814 JQHGOZCVXGBDHR-OLZOCXBDSA-N 434.515 -0.080 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 764228320 XPEZHBFGNZLSCX-OLZOCXBDSA-N 442.494 -0.342 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cccc2nonc12 765117009 ALJKBOHKDPRMCC-UHFFFAOYSA-N 444.473 -0.010 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2cnc3ccccc3n2)n(C)c1=O 765727040 JCRXFGWSPPUUJH-BQYQJAHWSA-N 434.416 -0.762 50 20 IBGD COc1ccccc1CC(C)(C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640688 VRWQHSQYBLVPEN-UHFFFAOYSA-N 442.476 -0.141 50 20 IBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 788169594 RMTXAQJMNWGKJR-UHFFFAOYSA-N 433.469 -0.135 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nc1 798329575 JEVCSPIJTGRFSR-UHFFFAOYSA-N 441.491 -0.493 50 20 IBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)[C@H]1COc2ccccc2O1 807026213 LQOVMIMWTIJLEC-CQSZACIVSA-N 448.461 -0.205 50 20 IBGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 916258860 KIQVCTLAOMBJAJ-UHFFFAOYSA-N 440.570 -0.093 50 20 IBGD COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1781810850 OYRZXMFANHSLPI-DYESRHJHSA-N 444.293 -0.553 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783876825 AVJKPUCGGQCBGO-KDOFPFPSSA-N 425.873 -0.618 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1ccnc1 1784257743 XPZGTEUDTXLRFX-USJZOSNVSA-N 441.492 -0.264 50 20 IBGD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786983703 UPPCLRIUFKXMRN-YYWHXJBOSA-N 437.305 -0.094 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1[nH]nc2ccncc12 1787339474 PAGLSDNUXMKQSV-FNHZYXHNSA-N 449.276 -0.455 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2nccn2c1 1788051704 HPHBPRKBNFSWOC-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1793571824 NNSPDTNKLCLBBE-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc(C)n1 1794146623 PDPBBYTYKDLHAR-GWGBFROSSA-N 441.492 -0.085 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cncc1F)C2)c1ccc(B(O)O)cc1 1795734227 KDDDUKXTVDVVPS-IVWMJMPLSA-N 431.204 -0.443 50 20 IBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189566 DCINAYGSZVDNFP-QDMKHBRRSA-N 447.347 -0.522 50 20 IBGD COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1800849479 BJYTVSLRAHGGPP-FSDCSDTHSA-N 440.896 -0.193 50 20 IBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cncn1 1815347756 NOBDWSQEKYEJPJ-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1cccs1 1833027305 JJBIAGLBBOOFCO-FZKQIMNGSA-N 445.925 -0.466 50 20 IBGD CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CCC1=O 1833308094 IEFCEVVEAUSHET-INIZCTEOSA-N 427.933 -0.234 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186076 ZCBOESIBXAJGOB-KDOFPFPSSA-N 434.921 -0.930 50 20 IBGD CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840207596 DWLMUWBAAZPDTN-AFFAOZPPSA-N 435.481 -0.388 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cccc1 1840351302 RXJAVUDOCUZIAU-JTSKRJEESA-N 441.293 -0.501 50 20 IBGD NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 749400388 IQEXOKKJSLKPCK-UHFFFAOYSA-N 438.487 -0.057 50 20 IBGD C[C@H](CC(=O)NNC(=O)CNC(=O)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 763821075 SGPPOPIQFZDNLW-GFCCVEGCSA-N 444.473 -0.524 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764423853 DCIXDRBMEWJHHC-IAGOWNOFSA-N 446.460 -0.644 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 771857394 WYKDJYSFBJQPCN-VXGBXAGGSA-N 430.483 -0.723 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cn2c(n1)CCCC2 779837679 QVPOIVVIDUEQNT-UHFFFAOYSA-N 446.533 -0.013 50 20 IBGD CN1C[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 914711307 UUTRGRDKYCQQOE-HNNXBMFYSA-N 438.506 -0.734 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 915685556 DAPSFWTYFOQCOO-NWDGAFQWSA-N 435.549 -0.127 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNC(=O)c2cccnc2)cc1 916443723 SRHKFYJWCOUBPW-UHFFFAOYSA-N 448.505 -0.229 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)n(C)c2n(C)c1=O 919743417 GSEXVPJXDOBSSA-UHFFFAOYSA-N 437.416 -0.458 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csnn1)C2 1779371102 DAGIUZYJNBZODT-DNVCBOLYSA-N 445.505 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784666390 OVZOLASXOAIWEH-PJODQICGSA-N 441.448 -0.912 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnc2c(c1)CCNCC2 1790618186 XTWNWJOCBUQYNI-CBVHJVASSA-N 436.940 -0.037 50 20 IBGD NC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795737428 FRSMAWHIQMQXGY-KOUHRCEDSA-N 437.305 -0.688 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3ccnc3c1)C2)c1cccc(B(O)O)c1 1795738774 FREUZUGBNVAJPT-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CN)c1ccccc1)C2 1801013415 UJACPIDQQXJZFZ-BMQTXXJKSA-N 431.537 -0.309 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1807365211 SNCAHLALAKFHNZ-YVWKXTFCSA-N 436.277 -0.640 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cncn1 1807367979 PCYRLMKMRLRROP-MOXGXCLJSA-N 448.292 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814404801 RKCGJOLUEXGRCU-NOZJJQNGSA-N 443.489 -0.354 50 20 IBGD CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830724692 APEOGMSIMSIKLA-UGSOOPFHSA-N 430.889 -0.208 50 20 IBGD NC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830737991 KWLUMDXYJWWXEP-KXBFYZLASA-N 425.869 -0.545 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1831658595 XXELDWWOEXGRQV-IFXJQAMLSA-N 427.885 -0.225 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cnc(O)nc1O 1835069625 QXGKQOBPDZRFLG-AWEZNQCLSA-N 427.889 -0.327 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1837456950 QPNLAJMLXYXULF-FQEVSTJZSA-N 429.433 -0.338 50 20 IBGD Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838392627 DDIHQWGWQJMIBN-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 740851236 VVRZHNHUPHCCRR-UHFFFAOYSA-N 431.540 -0.182 50 20 IBGD CN(CC(=O)NNC(=O)CNC(=O)c1cccs1)C1=NS(=O)(=O)c2ccccc21 751209070 JYFBLPIJVFCUTR-UHFFFAOYSA-N 435.487 -0.294 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 760814214 YVPSFQZZXINQGC-QWHCGFSZSA-N 446.526 -0.526 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(F)(F)F)nc2)n(C)c1=O 765729887 IQGNJMTXZWVGLY-UHFFFAOYSA-N 425.327 -0.691 50 20 IBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739101 QGCGZDFIRUBSIB-UHFFFAOYSA-N 449.489 -0.546 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(O)nn3)CC2)cc1 766635802 FOFYNFCQMFUNBP-UHFFFAOYSA-N 434.478 -0.742 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cn1 770463324 JDYOJJNWDLERLG-UHFFFAOYSA-N 427.464 -0.698 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2c[nH]ccc2=NC(=O)C(C)(C)C)c(=O)n(C)c1=O 783820695 HKWXQIDVSCYDMS-UHFFFAOYSA-N 433.494 -0.477 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 812974319 YCJSTOALEFLZFA-SECBINFHSA-N 426.455 -0.388 50 20 IBGD C[C@]1(NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1 915922030 VVWJBEYATDENBR-KRWDZBQOSA-N 446.551 -0.412 50 20 IBGD CCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779031174 MVOBKPFBPMCAKX-HXUWFJFHSA-N 427.465 -0.341 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784507190 DAXFLFXUCBTIPD-JOCHJYFZSA-N 440.309 -0.597 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccncc1)C2)c1ccc(B(O)O)cc1 1795732693 AHLWLHAKFBRRGV-CWPLJXCYSA-N 441.318 -0.243 50 20 IBGD COc1nc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011793 DWZSZNNZURUEQB-CCWDJLKJSA-N 433.509 -0.025 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367888 OJAFAKHNEDQFBU-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826227172 DCEWGYSWWRBZHV-VXGBXAGGSA-N 436.538 -0.046 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733422 LVKHQIBNTUTBQY-BEFAXECRSA-N 425.869 -0.545 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831645374 COKNGBXLWXBXON-YLJYHZDGSA-N 438.717 -0.156 50 20 IBGD CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834868609 IROFQKVBZFPRRV-UYSKRRQASA-N 447.492 -0.054 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840036502 LYRXHDIPIZZGLE-IUODEOHRSA-N 441.344 -0.339 50 20 IBGD Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185304 NNXHZWCJHZEUJG-FQEVSTJZSA-N 436.513 -0.979 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840485041 XVXMXBBFMBJYCB-KUHUBIRLSA-N 427.885 -0.082 50 20 IBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CC2=O)c1 746186728 ZUBGNAZWSIDVPP-SUMWQHHRSA-N 444.469 -0.162 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 746311065 XIJGHHVTNFQSEB-UHFFFAOYSA-N 433.446 -0.018 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1-n1cnnn1 763550549 DHITYLLFCPWUDR-UHFFFAOYSA-N 425.361 -0.201 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(Cn3ccnc3)c2)n(C)c1=O 766643062 KFXDJUCOMCMODS-UHFFFAOYSA-N 436.432 -0.860 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCCN3C(=O)CN(C)C3=O)CC2)cc1 766650539 VNTNNNUMESSZKR-UHFFFAOYSA-N 444.536 -0.066 50 20 IBGD COc1cc(Br)c(S(=O)(=O)NNC(=O)[C@H]2COCCO2)cc1C(=O)O 772864269 GMOVHJXAPCYGSC-SNVBAGLBSA-N 439.240 -0.119 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1C1CCCCC1 776490178 SCMBZGDWSWYEKM-UHFFFAOYSA-N 442.480 -0.095 50 20 IBGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 815569593 ZMRJLSDGRSHKHP-JTQLQIEISA-N 444.466 -0.967 50 20 IBGD CC1(C)NC(=O)N(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 918021209 JLZOLLFJQWDAJM-ZDUSSCGKSA-N 434.405 -0.763 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(F)(F)C(=O)O)C1 1778014375 LNZSEKJKBVIVIS-FZKQIMNGSA-N 448.467 -0.017 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1779028706 IXWBZHIYABXWBB-VLIAUNLRSA-N 427.465 -0.414 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783260635 TXEJDHSVHYDBPX-SJORKVTESA-N 426.341 -0.661 50 20 IBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccn1 1784520031 JLMXCIDMMQRKGM-VLIAUNLRSA-N 427.465 -0.414 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1ccc(B(O)O)cc1 1795735821 FSSFSPXSZWJXGY-ZMJPVWNMSA-N 429.051 -0.740 50 20 IBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1F 1795737177 APPBPHALXWECCU-CCWDJLKJSA-N 427.241 -0.274 50 20 IBGD CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1796188472 LFBVQJYSKFEMHS-ACDBMABISA-N 440.353 -0.602 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccccn12 1796954844 WRSWXXCKCRZEFX-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797754109 MFUKVKYHRPTUOA-AFIMGQEJSA-N 441.492 -0.346 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)CC1 1797956926 OJHBUQMGFWTPOV-XEMDLRDOSA-N 440.617 -0.408 50 20 IBGD CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1813070520 IKRFJDYOIOHWRT-RZQQEMMASA-N 448.524 -0.477 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cncn1 1826786859 RNZONUWVAGRWBP-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)on1 1832573034 KDYLXQPPJHYOOJ-HXUWFJFHSA-N 437.497 -0.645 50 20 IBGD Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929117 ABTVHBAGHNKRLY-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837457735 NYKVKAVRQYQQDN-DYVFJYSZSA-N 429.836 -0.711 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1840183032 OBXPLNNLJXSBHG-OAQYLSRUSA-N 449.508 -0.005 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186766 OJMXFRMLUNIOAX-NHYWBVRUSA-N 431.338 -0.073 50 20 IBGD CC(C)n1nc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1C(=O)O 1842260065 DDQUMFQNTCHOLK-UHFFFAOYSA-N 440.265 -0.027 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 729274818 DYRWMNCNYVROEO-MRVPVSSYSA-N 432.915 -0.028 50 20 IBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 749603118 DNEWJCAPRWCBIF-INIZCTEOSA-N 449.431 -0.148 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 751204508 IOGSJYRAHLIZEE-UHFFFAOYSA-N 442.475 -0.447 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1I 758044001 LIGDADUZQDRFEJ-SSDOTTSWSA-N 441.247 -0.002 50 20 IBGD Cc1ccnc(Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)n1 764234377 XNYUAJWSUPZGNR-NSHDSACASA-N 436.450 -0.399 50 20 IBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 764421230 HRTHYHCLTMZELD-UHFFFAOYSA-N 439.472 -0.344 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785661422 NLARZKGYDMEJNT-GOSISDBHSA-N 446.504 -0.591 50 20 IBGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1Cl 793446732 IJXWMPGHZLFPGW-SECBINFHSA-N 429.842 -0.033 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 914602411 JHYABFVELWFONS-HNNXBMFYSA-N 448.413 -0.771 50 20 IBGD COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028692 NZBTZWUTPGQOQK-FQEVSTJZSA-N 443.464 -0.816 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795351868 AJUXWUMDXBQDAE-BTTYYORXSA-N 431.497 -0.749 50 20 IBGD O=C(CNC(=O)c1cccnc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188200 AGCSECQUGJJZCC-REPLKXPHSA-N 436.277 -0.557 50 20 IBGD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)o1 1798142917 IOMWGYKOGXXTSB-YWVIFJGQSA-N 428.449 -0.193 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ncccc2[nH]1 1799890667 HMNYBFBJXOHNRM-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800031595 GNWJWQREQOCHDK-YVWYUNDQSA-N 443.504 -0.243 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821969876 VFVRFPWJQTZSDL-SJCJKPOMSA-N 427.270 -0.080 50 20 IBGD N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728927 ZASXOYLSMKQJMI-VBQJREDUSA-N 432.930 -0.931 50 20 IBGD O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c2N1 1830734931 AWLHCZZWICHERU-MGPUTAFESA-N 437.880 -0.149 50 20 IBGD N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837457450 CMDHSVOSUKZSNA-FQEVSTJZSA-N 428.449 -0.941 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1837711657 MUZDWPKUUOGMCO-LJQANCHMSA-N 427.574 -0.083 50 20 IBGD Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838203439 SBGJMLJWHKZRRL-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(CN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198236 AESBFLWIQJRQLB-WFASDCNBSA-N 438.250 -0.415 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840261018 JLEYRZBOLILEBU-IBGZPJMESA-N 427.885 -0.367 50 20 IBGD C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1(F)F 1840826010 ZCIDMCMBDAEKDD-RBUKOAKNSA-N 438.236 -0.518 50 20 IBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 730577721 YNVAHDMVEAHBHR-OAHLLOKOSA-N 428.536 -0.445 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(Cn2cc(Br)cn2)on1 751564005 RILZVTRTHCVXJU-QMMMGPOBSA-N 432.256 -0.122 50 20 IBGD CN(NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204058 AWQIHMBUHMRZTL-CQSZACIVSA-N 447.558 -0.259 50 20 IBGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 799835579 UAGHROFOLKYLEE-HNNXBMFYSA-N 442.494 -0.425 50 20 IBGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779621 OASLJSBJEHXDEK-CQSZACIVSA-N 428.467 -0.400 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033662 BBQXJONOFFUEJF-GTNSWQLSSA-N 440.298 -0.088 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332369 XSGBYAVWFRCMGB-BXUZGUMPSA-N 425.324 -0.009 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1782214575 VGWNEAPMIUPFHD-WHSLLNHNSA-N 437.541 -0.601 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1783874625 GEJBRXDLPANTAH-RHSMWYFYSA-N 437.946 -0.504 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783936814 UWNIIZQQSGVASL-NRFANRHFSA-N 446.508 -0.144 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979998 XSTRBVLIHCRCCT-JQFCIGGWSA-N 441.249 -0.920 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1797793132 LDCRLEVFQFDBEJ-WNBCSMFUSA-N 449.298 -0.146 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2nccn12 1799993917 QDLXUBGBBPAHGB-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(Cn1cccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807635156 WGXZBSBTFPUBFR-NQIIRXRSSA-N 433.277 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1822414445 UBFCMHUFVGGCOL-JSGCOSHPSA-N 436.517 -0.632 50 20 IBGD COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830726119 VIUQOTPCTYWDRF-KDOFPFPSSA-N 431.848 -0.101 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1830727735 CREILTWOLSJJSS-UEXGIBASSA-N 437.924 -0.243 50 20 IBGD O=C(O)c1cnncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835919978 NMRNSWJAOZBPNE-MRXNPFEDSA-N 439.900 -0.040 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1835933955 KEUZZHHIQWXDBD-JTSKRJEESA-N 441.293 -0.501 50 20 IBGD O=C(Cc1ccsc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935730 OBLDLIOKWLYPEL-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1840033926 UZNMSIZSMMAJMZ-YJBOKZPZSA-N 447.374 -0.526 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1)NC(=O)NCc1ccccc1 1844223952 NXJHRAJOGORYFZ-UHFFFAOYSA-N 441.492 -0.588 50 20 IBGD O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)c1cccs1 1848220440 YYLIYBUFGUFCNV-HOTGVXAUSA-N 427.291 -0.327 50 20 IBGD NC(=O)CC[C@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)c2ccccc2C1=O 746235318 SRQBTBJHYHQNKS-CQSZACIVSA-N 440.412 -0.151 50 20 IBGD COc1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1S(=O)(=O)N(C)C 757777167 WQHSZFPUFBTILP-JTQLQIEISA-N 434.496 -0.467 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 758048130 PIQQQLNPMRGWFW-CYBMUJFWSA-N 446.551 -0.511 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)Cc3ccc(Cl)cc3)cnc2n(C)c1=O 763936351 GVUAPXGTHBYVII-UHFFFAOYSA-N 444.835 -0.386 50 20 IBGD CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)ccc1F 764294367 WYZJWKPQZJQLDZ-UHFFFAOYSA-N 440.457 -0.046 50 20 IBGD COc1ccc(CCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765731197 RAJXZYLNQBTPBS-UHFFFAOYSA-N 428.449 -0.387 50 20 IBGD CN(NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 783431812 KTUQYZWYIRLFPL-UHFFFAOYSA-N 431.474 -0.087 50 20 IBGD Cc1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n(C)n1 784230686 PTLXPPPCFMWQIL-UHFFFAOYSA-N 435.510 -0.254 50 20 IBGD O=C1NC(=O)C2(CCC(C(=O)N3CCN(S(=O)(=O)CBr)CC3)CC2)N1 1116573685 MXNXMCKCJHLFDQ-UHFFFAOYSA-N 437.316 -0.419 50 20 IBGD Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780101677 KFPXFPHDTWJYAG-OAQYLSRUSA-N 440.460 -0.859 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331139 KFDHVXUKYPMWOQ-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2C1 1791405247 VAJRJHDJVPLZRB-FLKCQLHMSA-N 445.520 -0.171 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793939627 VZOXQSXSEKYYPL-JPYZYGQNSA-N 431.287 -0.795 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)noc1N 1795573135 QQBVJFZWJLKOBO-NNGSTNBRSA-N 443.464 -0.098 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801452807 XENUCIFJUVGTMI-KUZCPNRJSA-N 426.282 -0.664 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CCC(N)=O)[C@H]1c1cccnc1 1812632420 ZBMNFLSRAQFFIU-IFXJQAMLSA-N 439.476 -0.335 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1813028238 LYPFBEKSJMUCFE-ZQIUZPCESA-N 437.884 -0.107 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360505 HVWZDLZLTSSFEX-FZMZJTMJSA-N 442.306 -0.261 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815771099 NKYFOADPVCTYJP-STQMWFEESA-N 448.484 -0.627 50 20 IBGD C[C@@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801000 WNZQPGWESLNZGY-ZJUUUORDSA-N 431.478 -0.498 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736730 WHQVTNNYSNPPTP-RDTXWAMCSA-N 428.873 -0.665 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833559980 LVJVWOCBDJKMBQ-GOSISDBHSA-N 443.888 -0.229 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835128185 RUFOATGFQMCDOQ-IIYDPXPESA-N 432.315 -0.105 50 20 IBGD O=C(c1cc(CO)on1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201688 FWLJEZAWHQPLGG-SWLSCSKDSA-N 436.234 -0.073 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652057 YVEIONYTGDEQFK-BEFAXECRSA-N 442.900 -0.175 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840182794 VFDZCXXAJCIDDL-UTKZUKDTSA-N 439.557 -0.700 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725901935 BCTAJQYVATZBJD-UHFFFAOYSA-N 438.487 -0.194 50 20 IBGD O=C(COC(=O)[C@@H](CO)NC(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 728330791 RLHQKKWBJPDARQ-RHSMWYFYSA-N 443.412 -0.692 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 728453988 GJSKTNMOSZKHDK-LJQANCHMSA-N 444.536 -0.527 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)co1 756405188 PMNGLMJEMXRBQL-ZDUSSCGKSA-N 439.402 -0.668 50 20 IBGD CCC(=O)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 757097020 YAOJILGWBWUECN-UHFFFAOYSA-N 430.396 -0.373 50 20 IBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1ccc(-n2cnnn2)cc1 763945058 TVQPHYJNOLVRAL-UHFFFAOYSA-N 433.388 -0.047 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 769147639 QKAVZQJFDKSJMZ-QWHCGFSZSA-N 434.515 -0.080 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 912918706 CAIZIAQIFYHLSP-ZIAGYGMSSA-N 437.522 -0.238 50 20 IBGD O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885798 RIVDUKBZYLRDRQ-GFCCVEGCSA-N 438.487 -0.134 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1779028896 PHCACSRFQQFKLD-NRFANRHFSA-N 440.460 -0.397 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104841 FTZDQDAYLULOJQ-LFQSBUTJSA-N 439.513 -0.282 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnn1)C2 1779372203 BGGDXGHLDDMZGQ-DYESRHJHSA-N 439.476 -0.084 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781324879 DJJVAURYRMNONR-GYSYKLTISA-N 444.323 -0.165 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1782179572 JSUQXIHQFKUOLE-GPMSIDNRSA-N 435.949 -0.959 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783936609 XTLLVOHDIMDAIR-QFIPXVFZSA-N 434.537 -0.112 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797754112 MFUKVKYHRPTUOA-ZXFNITATSA-N 441.492 -0.346 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1828927007 XOOWFDWUPRGWDM-KRWDZBQOSA-N 441.496 -0.395 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833481938 RPTDIKCXIQQXPR-XJKSGUPXSA-N 437.990 -0.162 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnco1 1833594853 BFYSDJZLDIJCNZ-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1(F)F 1835934190 PAFBVAUKDKPQDF-MOPGFXCFSA-N 438.236 -0.518 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1835937983 DEOLYOZKOHAWLS-WIYYLYMNSA-N 430.266 -0.871 50 20 IBGD O=C(Cn1ccccc1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199888 YPURPXZVVCGWJL-RDJZCZTQSA-N 446.273 -0.005 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)(C)C)C2)C1 1840182616 OHCINNIBILXIBY-FQEVSTJZSA-N 428.530 -0.369 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1843013237 XDYZLUPLQQMEEB-UHFFFAOYSA-N 432.135 -0.461 50 20 IBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 726241571 JQJOVHKPWGZKOO-LBPRGKRZSA-N 445.461 -0.201 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc21 728501415 KEAFYAIQMHQVAA-CYBMUJFWSA-N 433.402 -0.816 50 20 IBGD CCN(CCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(C)(=O)=O 728949213 QFJIIZZVPFZRLL-UHFFFAOYSA-N 427.531 -0.305 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 729275033 JSWNQYQBSRFWDB-OLZOCXBDSA-N 432.524 -0.828 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 731186255 LQOFPPHCUXAIGV-SWLSCSKDSA-N 437.478 -0.298 50 20 IBGD COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CC3)CC2)c1 733193232 KXEVNMNTCJDWHB-UHFFFAOYSA-N 426.495 -0.433 50 20 IBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C(=O)N1c1cnn(C)c1 743588517 BASBMVGABGKZOC-XJKSGUPXSA-N 441.496 -0.049 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 744416067 XKSJPKQFMQQTQQ-UHFFFAOYSA-N 442.523 -0.723 50 20 IBGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746270258 SLOLZQYKXHLHCM-KVSVUVNWSA-N 439.469 -0.608 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 756777321 HURLCQDHGTWTKL-QMMMGPOBSA-N 426.434 -0.231 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 760438583 ZXZZBMHRJUOEJJ-NWDGAFQWSA-N 432.499 -0.916 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNc2nccc(N3CCOCC3)n2)C(=O)C1 762861423 NRMCLRSDONPEHC-UHFFFAOYSA-N 435.485 -0.164 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 763861330 OFJRRRKCVMISIY-ZDUSSCGKSA-N 446.464 -0.077 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3cc(Cl)ccc3O)cnc2n(C)c1=O 763977509 UUDBELRPXAGEQC-UHFFFAOYSA-N 446.807 -0.609 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 772040775 HMCPJMWAAUPSGI-HNNXBMFYSA-N 440.522 -0.064 50 20 IBGD CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCS1(=O)=O 773186587 KQAQJKFOKAZIDJ-OAHLLOKOSA-N 442.450 -0.041 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C 798308841 PAINUQIRYKDJNO-UKRRQHHQSA-N 436.490 -0.575 50 20 IBGD Cc1nn(-c2ccccn2)c(C)c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802712395 MNFHROKHDKCDTL-UHFFFAOYSA-N 435.448 -0.218 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 812729829 VPHIGRDCSVCNGF-UHFFFAOYSA-N 449.493 -0.783 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1nn(-c2ccccc2)cc1O 914830481 AWAYNSMOKZBDGV-JSGCOSHPSA-N 447.473 -0.626 50 20 IBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 919888562 FXAODMLZBAOWNM-PXAZEXFGSA-N 441.441 -0.890 50 20 IBGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779037782 IPAMAOIOFISCPQ-BXUZGUMPSA-N 425.324 -0.009 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860724 KYZGINAHDLSHBF-JCGVRSQUSA-N 435.905 -0.087 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785151857 ALOVXWMKIYIZKQ-KNKXYGFZSA-N 435.308 -0.200 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788654803 DELXUHWEGRIJOJ-KBXBGSNASA-N 438.352 -0.147 50 20 IBGD O=C(CCN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792312568 RPINGGNYUPYEDK-IHPCNDPISA-N 429.326 -0.554 50 20 IBGD CCOc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792381139 ZTIVWYFMGSDIJI-HGKCTWBKSA-N 439.277 -0.323 50 20 IBGD CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732527 QSWXHNPKVGOFMU-CCWDJLKJSA-N 440.265 -0.928 50 20 IBGD CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754080 LIGRBEPAGNUEAA-VZAMPYOESA-N 437.522 -0.998 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373341 CDFIMXHQCXQGBT-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CS(C)(=O)=O)n[nH]1 1817059706 UISGPIRHNZUWJO-ZDUSSCGKSA-N 428.515 -0.181 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833471757 NPNNWMLCQICSDS-KRWDZBQOSA-N 444.282 -0.059 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cocn1)CCO2 1834507145 RBGKLSFQKCOJEJ-RXULLKCLSA-N 444.448 -0.121 50 20 IBGD O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835098886 SDMKJJNCGLTBAQ-XMMPIXPASA-N 448.284 -0.512 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ncnn2C)C1)NC(=O)NCc1ccccc1 1842342613 LGFYHWBIBBJWQO-UHFFFAOYSA-N 440.508 -0.022 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1C(=O)N(C)C 734418396 HBXVNGQBKYMUES-UHFFFAOYSA-N 445.461 -0.004 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 744447059 UNZKISAINHBQJZ-CHWSQXEVSA-N 426.495 -0.230 50 20 IBGD CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 750407499 GPSLLUJQOOFYBJ-MRXNPFEDSA-N 449.441 -0.184 50 20 IBGD COC(=O)CC1(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCC1 787128478 ZLYNYWKVNBGHBN-UHFFFAOYSA-N 434.453 -0.905 50 20 IBGD CCn1nncc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 815827178 OZUVPXLFHZOBET-UHFFFAOYSA-N 435.510 -0.626 50 20 IBGD CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cn1 1792976744 MDGGDKMKDXCTFM-OCVGTWLNSA-N 445.925 -0.571 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978693 MSASVVWWPBAPAA-QKDZRIPBSA-N 449.932 -0.549 50 20 IBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835941 VUSPRNRBQOYRAP-JYYAWHABSA-N 435.974 -0.286 50 20 IBGD Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1794121355 TVHNDYFBBVKJRE-CCWDJLKJSA-N 441.492 -0.598 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1796299305 VKXGBILBYZEFIX-NDKCEZKHSA-N 435.905 -0.939 50 20 IBGD Cc1cc(C)n(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1801246290 BKEJBEFEKJAHSM-RMFSNUHRSA-N 440.309 -0.527 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350294 OVMHLMVFLWVVOG-GXFFZTMASA-N 430.295 -0.440 50 20 IBGD O=C(Cn1cnnn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053035 UAKOPFOPJOMCSC-SFHVURJKSA-N 426.286 -0.714 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733345 JBXPJTCVFRQYJZ-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccs3)CCO2)C1 1834435251 OCJBZZVYUWLKDU-IBGZPJMESA-N 446.489 -0.475 50 20 IBGD O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834820364 ZWUSOQUPMCWMSD-GUYCJALGSA-N 432.315 -0.246 50 20 IBGD O=C(Cn1ccccc1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835998103 NVABRYGLASWWHZ-NVXWUHKLSA-N 446.273 -0.005 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1840150608 OLKWEAUWNQVDPC-FZKQIMNGSA-N 428.873 -0.064 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840326456 HOPCKHZVYDZDNQ-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD CCN(CCO)c1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(C)c1 730569355 WOJFVWYPEKKFQP-UHFFFAOYSA-N 434.522 -0.152 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)N1CCCC1 742026222 PCNQTLTUCKKGQO-UHFFFAOYSA-N 446.551 -0.399 50 20 IBGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)S(C)(=O)=O 754673438 GTQNPKWCSBUFHU-GFCCVEGCSA-N 432.524 -0.152 50 20 IBGD COCCOc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756008756 BNZMIFLRMWYKGX-UHFFFAOYSA-N 445.436 -0.688 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1=O 765721853 LYKABIJFTBBUOH-UHFFFAOYSA-N 435.784 -0.544 50 20 IBGD Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766643838 KSIQAQOTUOMRFO-UHFFFAOYSA-N 437.416 -0.142 50 20 IBGD CN(C)CCc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 782915144 WNYRXXJLMIEQKI-UHFFFAOYSA-N 442.480 -0.609 50 20 IBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)C(=O)NN=C2CCC[C@H](S(C)(=O)=O)C2)C1 788408773 PRHOSXOJYAREAU-KBPBESRZSA-N 434.540 -0.095 50 20 IBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)N2CCOCC2)(S(C)(=O)=O)CC1 795818532 BNJYEWSCEILKDI-UHFFFAOYSA-N 434.515 -0.126 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 799918759 ZFQRIPUSVUZSCI-GJZGRUSLSA-N 439.542 -0.259 50 20 IBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 816510974 KYPDRFWLQRPDJO-LBPRGKRZSA-N 433.469 -0.076 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1783877630 MDIOLPTXODVFBB-FZKQIMNGSA-N 428.873 -0.203 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1791290866 CFRQPZAKLMZCNK-KKUMJFAQSA-N 444.496 -0.909 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnc1Cl 1792359791 WVPMHFXBVYCJPT-XOIINTDNSA-N 429.669 -0.068 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c[nH]nc3c1)C2)c1ccc(B(O)O)cc1 1795734735 NBFWOXKOGZIVSI-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1798439763 CXEHKEYICDHMPO-JGPRNRPPSA-N 428.409 -0.118 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1800977090 RIZHBDMKNAJDCJ-ZWUHOBOKSA-N 428.873 -0.444 50 20 IBGD CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806943011 DOECSARDHWVFSP-WMLDXEAASA-N 439.476 -0.512 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978622 ZJPPILAZYRDEHI-UHFFFAOYSA-N 429.326 -0.017 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1831646502 MCSZAVCUITUQFH-XJKSGUPXSA-N 441.849 -0.425 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1831656111 ATPYNOJYRYUQLA-UGSOOPFHSA-N 433.889 -0.607 50 20 IBGD CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1834621929 YZXJLPCENXPKSB-LJQANCHMSA-N 444.020 -0.205 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835798420 VKQHASMYSVIJAH-SFHVURJKSA-N 440.526 -0.832 50 20 IBGD Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928054 CPGCPNIUICBMNF-NRFANRHFSA-N 445.256 -0.772 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837694491 LQMKTQWVYDIJEK-DYVFJYSZSA-N 432.315 -0.082 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839986196 JMTNODYHJNLAEO-FZKQIMNGSA-N 435.905 -0.433 50 20 IBGD COc1cc(Cl)ccc1C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 24630292 SLCOKYNBWUOVOB-UHFFFAOYSA-N 434.840 -0.053 50 20 IBGD COCCN1CC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 739034656 IYELRQLWDHMIFD-OAHLLOKOSA-N 427.527 -0.333 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C(=O)N1CCCC1 748246610 MNPMLSZWPYMSHN-UHFFFAOYSA-N 438.506 -0.590 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764318967 HOHVINFZNXXKCW-UHFFFAOYSA-N 431.449 -0.378 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 765310208 CUUQNKKXMLCFIV-MPTQWLOMSA-N 438.481 -0.009 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779177952 WDDOCPDFVKINTG-XAYKYTGQSA-N 425.873 -0.976 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782790127 XGRSYROZHXYRPK-UGSOOPFHSA-N 442.856 -0.160 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2)C1 1783876863 XXBQMQHATJGIMT-BIENJYKASA-N 449.932 -0.044 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788701249 ZGDRAEIIRLBZOX-RDUHTLEXSA-N 439.900 -0.826 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccncc1O 1788823847 SUVCZURNFFZJCC-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1791291205 PQBNUAYMPJWAOS-KZYORJDKSA-N 435.569 -0.321 50 20 IBGD COCCOCCOCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796368224 GBOSYAFVLHQJBW-YALNPMBYSA-N 440.896 -0.193 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(=O)n1O)C2 1798440799 STSACAMHZYHOAQ-CLLJXQQHSA-N 426.433 -0.350 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1800975043 IUOQGDYNPJYAOE-QPHKQPEJSA-N 432.930 -0.368 50 20 IBGD N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371534 WFAZTJOBFZTDGH-YJBOKZPZSA-N 441.322 -0.292 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)CC2 1826089404 BXLOQIJOSIGTNO-VXGBXAGGSA-N 436.538 -0.046 50 20 IBGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797909 KNDJGHGVISXDKB-UHFFFAOYSA-N 447.370 -0.822 50 20 IBGD Cc1ncoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456165 DJSZQFVIKKPGTO-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838117002 JOEAZYLUEGYMAZ-OXQOHEQNSA-N 449.895 -0.063 50 20 IBGD O=C(c1cnc2snnc2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838506507 BFOTYHUETGYXKK-CXAGYDPISA-N 441.897 -0.244 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840575736 PNPZYUSCYTUJPY-XLIONFOSSA-N 434.323 -0.668 50 20 IBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 731902990 YAXGPPBLTGXOGZ-AWEZNQCLSA-N 433.508 -0.549 50 20 IBGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1[N+](=O)[O-] 758057006 UUGXFONQHKGINB-BXUZGUMPSA-N 441.466 -0.407 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2)CCN1 764005583 BWJKPAUNSIXRQM-UHFFFAOYSA-N 439.428 -0.206 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(OC)c1O)CC2 764130208 DBFGGCVYULSMRL-UHFFFAOYSA-N 448.457 -0.341 50 20 IBGD C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638044 WXXHSQOSWHNKFB-MPBGBICISA-N 428.449 -0.864 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1=O 771276329 WNTXUAYKZKWXFM-BFUOFWGJSA-N 438.506 -0.046 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782402802 GOJZFXFCNVUXHI-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn(C)c4c3CCC4)[C@H]2C1 1788023124 DDZJRYCDKZZJJY-ZVZYQTTQSA-N 446.552 -0.125 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789924534 KMEIHLPRXSBUSE-AVWBDOJWSA-N 444.261 -0.141 50 20 IBGD O=C(CSc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793949419 ISIGICRRLWVAIJ-CWPLJXCYSA-N 441.318 -0.243 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796430511 YNAUQWURKWEZHE-QXMWZZNTSA-N 432.930 -0.368 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754075 SKSUVYRVXYRHQQ-GGXPGOJBSA-N 446.552 -0.134 50 20 IBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)C1 1801009183 QWAFRIUPUJBNPA-ZAHIEGGZSA-N 438.525 -0.462 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)N1 1807371057 OYUCZQRKGQHQDI-IMFGXOCKSA-N 436.277 -0.640 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2nccn2)[C@H]1c1cccnc1 1808945926 HHRUABPSDVBXTJ-HNAYVOBHSA-N 449.475 -0.309 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1813068465 MVMKMVGEJRTWBU-FVJLSDCUSA-N 444.536 -0.013 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1813072011 XPBDGRXQMRFHPT-FTRWYGJKSA-N 447.540 -0.947 50 20 IBGD Cn1ncnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795798 ROMLXYDCHQMKLA-VIFPVBQESA-N 441.477 -0.190 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1835930149 ABUQYNUXLDOOIT-GHTZIAJQSA-N 430.266 -0.871 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccs1 1848220753 YNANJIKRKMMTBO-GJZGRUSLSA-N 442.501 -0.008 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1OCC(=O)O 726155708 XDZNQOGUKGRWNG-NSHDSACASA-N 435.480 -0.554 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)C2=O)cc1 728178910 MHHZBCWPIJTVRM-IFXJQAMLSA-N 438.506 -0.046 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1 732307203 BRFLMYGUYXAFBD-AWEZNQCLSA-N 431.536 -0.138 50 20 IBGD Cn1c(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)nc2n(C)c1=O 744680210 MZCUPNJYSFDHIT-UHFFFAOYSA-N 436.384 -0.878 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 747613155 CPYONVOBDRBETM-ZCFIWIBFSA-N 444.285 -0.606 50 20 IBGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1S(N)(=O)=O 754326466 OIDCDZWBVQYYEP-HNNXBMFYSA-N 449.441 -0.213 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 758024603 HMXPHZBYXYEISR-ZETCQYMHSA-N 442.313 -0.449 50 20 IBGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)cc1 758030633 RSRNZASXYRIINV-LBPRGKRZSA-N 440.482 -0.700 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCc2cscn2)c1 764230461 IREIHEIXOHPTQB-JTQLQIEISA-N 441.491 -0.254 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 764232341 SGAROPLWSRPXEE-SECBINFHSA-N 428.858 -0.451 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 771846788 MEVVGZIMVLDXQB-BHDSKKPTSA-N 435.886 -0.143 50 20 IBGD CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)CC1 782079705 LZUJGIUFRTYPQA-GFCCVEGCSA-N 426.499 -0.555 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 794069347 GANUJNHGAVNWNW-UHFFFAOYSA-N 446.441 -0.095 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cn(CC(=O)O)c3ccccc23)n(C)c1=O 799883324 YBTSYNFBPBPUMA-UHFFFAOYSA-N 437.416 -0.377 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1S(=O)(=O)NC(C)C 816872224 DZCLCGXLGKLSHN-CYBMUJFWSA-N 436.494 -0.003 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1nn(-c2ccccc2)cc1O 914830480 AWAYNSMOKZBDGV-GXTWGEPZSA-N 447.473 -0.626 50 20 IBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCC(=O)N1CCOCC1 916251294 BVDXEMDVSDCNDD-UHFFFAOYSA-N 432.525 -0.222 50 20 IBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 919889747 SJOFNOCWFMINRJ-SCLBCKFNSA-N 437.478 -0.720 50 20 IBGD CCCCNC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 920823091 OAWKWDLRCKBVOZ-AWEZNQCLSA-N 434.540 -0.101 50 20 IBGD C[C@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1255066027 RBBMFYJJJMXFQB-CQSZACIVSA-N 425.559 -0.050 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1320580610 AAIJEIQRISVKSM-NWDGAFQWSA-N 445.519 -0.423 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951596 ZVIQYIPGQBSSCC-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)COC1 1779371150 JBRXBXNOYLHZRM-IIBYNOLFSA-N 431.493 -0.151 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780074030 AUOHENIZIMVCKC-OAQYLSRUSA-N 427.266 -0.402 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)CCO2 1783874870 HTOGPSSMHCKNSN-DRAKQNMHSA-N 432.930 -0.127 50 20 IBGD CCOC(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)OCC 1784165166 PSDWRTKKTRUFNJ-OAQYLSRUSA-N 434.298 -0.401 50 20 IBGD Cc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1784221150 FYLHCPYNIWZJDK-YYWHXJBOSA-N 437.305 -0.094 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786977979 MZZSDMZTMKURNK-MNXVOIDGSA-N 438.872 -0.735 50 20 IBGD CC(=O)O[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(C)C 1795739287 ZQVTXSCVKYGJDQ-UKBAYJJMSA-N 432.282 -0.843 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1813072040 ZIOMSXHIKWCZIT-OXJNMPFZSA-N 428.497 -0.248 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830404840 UPMCFWZLBNFOOK-FZXOMJPYSA-N 437.399 -0.361 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719764 JYYWKAQDTITEAK-ABSDTBQOSA-N 442.896 -0.215 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831583631 PAJVNYIRPSTZAV-CBNMVNINSA-N 432.257 -0.671 50 20 IBGD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833439546 WGEHHPZJHNQUHG-UHFFFAOYSA-N 445.524 -0.994 50 20 IBGD Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1833853194 UWWHSVYAKPBHOI-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1833993413 SGUOHUSSQZMONL-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD O=C(Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834992276 DPYPNHMPWCNDNQ-QHCPKHFHSA-N 438.289 -0.321 50 20 IBGD O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920767 CSIWEGLQZQYXLJ-UHFFFAOYSA-N 428.250 -0.933 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1837921189 JVGQHTYMGJFKNR-UHFFFAOYSA-N 442.281 -0.279 50 20 IBGD O=C(c1ccc(CO)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840781539 XOMNHQPXQHNWFE-APWZRJJASA-N 430.860 -0.012 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725740487 WFQGJGIZSMQJEH-UHFFFAOYSA-N 438.462 -0.076 50 20 IBGD NC(=O)Cn1cc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)nn1 742474041 RQMUTJSZAYORLL-UHFFFAOYSA-N 446.427 -0.404 50 20 IBGD CCOC(=O)C(F)(F)[C@@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 752736360 VSNJRXDYBMVASZ-SNVBAGLBSA-N 440.407 -0.096 50 20 IBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)c1 758034536 HAXDFDXANYAUST-RISCZKNCSA-N 442.494 -0.607 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758040137 OEIOHYWIXKNNTA-BXUZGUMPSA-N 425.467 -0.731 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1ccc(OC(F)F)cc1 758045606 DHTOGUZPIVZDLD-QMMMGPOBSA-N 432.409 -0.124 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OC1CCOCC1 764229951 GENDMKZMZOZAEY-GFCCVEGCSA-N 442.494 -0.424 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2cc(Cl)nc(N)n2)s1 773860948 KGUAMUPAQYYJQD-UHFFFAOYSA-N 433.903 -0.169 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806979070 MFNAQRGQEQERHU-CVEARBPZSA-N 437.456 -0.193 50 20 IBGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884405 FNBNXLXPCHMROO-ZIAGYGMSSA-N 425.446 -0.578 50 20 IBGD Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2ccccc21 1778162795 XNYHWMDREWGTBW-JXFKEZNVSA-N 436.896 -0.230 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1779034089 LZWXTYGKLHEADA-NRFANRHFSA-N 439.476 -0.449 50 20 IBGD Cn1ccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610867 YFIPQBGRBKSEFI-RCBQFDQVSA-N 427.465 -0.674 50 20 IBGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c(O)n1 1789307894 PUSDZJIEDWBDSY-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792237190 CACVDOQXYPITEZ-BJDJZHNGSA-N 435.955 -0.574 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1[nH]nc2ccncc12 1796211142 PDAPKNCGVFBEFK-ZSBFGKGUSA-N 435.249 -0.845 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825215727 FNBVNELTYJMEID-IINYFYTJSA-N 430.295 -0.427 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563448 CMWPEIGOIWXYJF-DJJJIMSYSA-N 439.900 -0.286 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834820283 VFZDCZPCBWZLGK-MRXNPFEDSA-N 435.319 -0.501 50 20 IBGD CC1=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CCO1 1835928363 MPEOMBHFPDBSRH-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838752689 WZOWWHAMYWHUFE-UHFFFAOYSA-N 425.530 -0.506 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185242 HNBWYTXTFCQVLT-UZLBHIALSA-N 428.530 -0.371 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)n1cnnn1 1840477920 UOUAZXCUWHUQOX-YOEHRIQHSA-N 426.550 -0.458 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2)NC(=O)NCc1ccccc1 1845038828 YBDZGDPNLXFXQI-UHFFFAOYSA-N 440.508 -0.172 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748359919 ARQHOWWEYOSDGH-UHFFFAOYSA-N 425.467 -0.917 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 748620341 WMRSSVABLINSTF-ZDUSSCGKSA-N 431.490 -0.552 50 20 IBGD CN1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 748664387 JIEXMEUFKJPBGW-OAHLLOKOSA-N 439.494 -0.728 50 20 IBGD COc1ccc(Cl)cc1N1C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1=O 758044489 MGJYTGHKZRXFLX-UWVGGRQHSA-N 432.886 -0.213 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 760203279 JKEDSXHGDNIGHF-DZGCQCFKSA-N 441.510 -0.306 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](O)C(C)(C)C)CC2)cc1 765176864 OUNSTISRVFNKEY-KRWDZBQOSA-N 426.539 -0.144 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 794063300 KNMZENATEAUEMN-KFZJALRRSA-N 430.417 -0.777 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(=O)n(C)c1=O 807960911 TZQISVARQWWKGZ-UHFFFAOYSA-N 446.898 -0.978 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 912848197 RUGVDIBLBAJFPR-NZBPQXDJSA-N 445.501 -0.144 50 20 IBGD O=C(NCCNS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 916295667 QBTBSBYIFNOOHU-UHFFFAOYSA-N 430.450 -0.415 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212458 LIJNUXQDQURJJM-VIFPVBQESA-N 440.450 -0.849 50 20 IBGD COc1ccccc1C1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCC1 1319794655 PRULKTCFIVDGDS-UHFFFAOYSA-N 440.460 -0.288 50 20 IBGD C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371156 JOPQKQNOEVUDLR-YBOAYWMSSA-N 443.504 -0.149 50 20 IBGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984579 PQKSOXXTJZAIMO-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787119945 RLBKDTDMLXLUIR-GLYSVQQSSA-N 442.480 -0.608 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793851702 PHTYOSDNWZLURD-BTTYYORXSA-N 440.460 -0.748 50 20 IBGD CO[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795737587 YIJJZYSRFRXQEA-KOUHRCEDSA-N 438.289 -0.043 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740514 DFIOYGYMPIFFMU-XRGAULLZSA-N 439.115 -0.257 50 20 IBGD C[C@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)n[nH]c21 1796971072 VMWKEVNVWYDDNS-FIIQBIKZSA-N 438.293 -0.344 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1801013004 PQNRGKQAGMCFQU-ZSBFGKGUSA-N 434.497 -0.758 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1813031360 QTSCDNUEXZNTDG-AESZEHBQSA-N 425.917 -0.066 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccs1)CCO2 1833933767 LANLOXLVWURDIO-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640095 KCCPMLDDZCDEJS-MLGOLLRUSA-N 432.319 -0.934 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cnc[nH]3)CC2)CC1 1835737046 ISGVWKAOLSIKEH-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835929374 MUILIUTZMCXCRE-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1835932175 ROASVIZCXNNPEU-NXWNEQKCSA-N 444.293 -0.996 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840801154 MVQKTKNUQVOIDV-IFXJQAMLSA-N 449.932 -0.043 50 20 IBGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 734826137 YDYXXONITHNVRA-UHFFFAOYSA-N 426.430 -0.863 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 744495282 MDRLXPVIQRZMGB-UHFFFAOYSA-N 441.425 -0.399 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 760816291 VLUUJJGPQISKIB-ZJUUUORDSA-N 428.458 -0.036 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Br)c1 764001945 HGYUWLBOZAEBSX-QMMMGPOBSA-N 434.268 -0.022 50 20 IBGD CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229954 GGMPRSBUUSARFK-QMMMGPOBSA-N 446.507 -0.174 50 20 IBGD CN(NC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776213351 OGMDRDKIESAVIP-UHFFFAOYSA-N 444.514 -0.078 50 20 IBGD Cn1nc(SCC(=O)NN=C2CCCc3c2cnn3-c2ncccn2)c(=O)n(C)c1=O 792958971 KJHWKAKLZIENJP-UHFFFAOYSA-N 441.477 -0.596 50 20 IBGD O=C(NNC(=O)c1cnn2c1OCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 814194680 MJQUWJXQAKMVJX-UHFFFAOYSA-N 435.462 -0.239 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782790122 XGRSYROZHXYRPK-SCLBCKFNSA-N 442.856 -0.160 50 20 IBGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)(C1)C2 1783442480 CHARRYAPGIDSER-HRTMPFAESA-N 442.277 -0.847 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785521711 ONZGZGUJTUYDEZ-OAQYLSRUSA-N 432.282 -0.601 50 20 IBGD C[C@H](NNc1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792511010 PUYTVJXJCINUNN-OPOADAIRSA-N 446.552 -0.046 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)n1 1792980205 FSAHSMDHCQZSMW-HLPPOEQASA-N 426.901 -0.524 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2)c1ccc(B(O)O)cc1 1795732808 NDJMVFVWNRKZQD-VPTLXERWSA-N 440.261 -0.646 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806766087 IAROSQSSKDMLBX-LPHOPBHVSA-N 445.306 -0.874 50 20 IBGD O=C(Cn1cccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807635147 WFEUQMBQCJMBIR-NQIIRXRSSA-N 433.277 -0.022 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1ccccc1=O 1830730824 FNTUAPMKKGXSQT-SPYBWZPUSA-N 427.885 -0.535 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737241 FROUWHWQSCCCHT-QCBUCWTNSA-N 444.912 -0.202 50 20 IBGD CC(C)(O)CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801177 SFTJKLJHEYSAFV-UHFFFAOYSA-N 431.342 -0.287 50 20 IBGD Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935308 ODZMHEWTWIQEHU-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508030 HGEHBRNEQZIGIY-MEDUHNTESA-N 431.833 -0.358 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nn[nH]c2C(F)(F)F)C1 1844807279 PUHGLOZXTBZABE-UHFFFAOYSA-N 438.370 -0.047 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845071007 MYGOTWCZINKVMT-FUHWJXTLSA-N 425.294 -0.416 50 20 IBGD Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nc2c1c(=O)n(C)c(=O)n2C 737468775 UALFGXXSIMPZRL-AWEZNQCLSA-N 425.401 -0.458 50 20 IBGD COc1cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 755037679 CQRHOPWQUIXBHT-SNVBAGLBSA-N 441.466 -0.426 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc2c(cc1Br)NC(=O)CO2 758045059 BFERSTWGMHLZMG-LURJTMIESA-N 435.256 -0.521 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763578212 MZHQIDBKHSAORR-OAHLLOKOSA-N 431.426 -0.058 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Br 764227293 MOYHLIRWUYTTSK-ZETCQYMHSA-N 437.272 -0.519 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnn(C)c3C)CC2)cc1 765727894 JPOULYFHSRMWGC-UHFFFAOYSA-N 434.522 -0.196 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N2CCN(C)CC2)cc1 788167927 XDQWWSIJGBHXPQ-UHFFFAOYSA-N 426.499 -0.746 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 789941962 OIRJAUSRHMWDAG-AUUYWEPGSA-N 432.433 -0.411 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)o1 915417511 AORJBFJHCFREQM-UHFFFAOYSA-N 441.418 -0.177 50 20 IBGD COc1cccc(C[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 919886839 VOZGAGSWPDFBNK-ZFWWWQNUSA-N 437.482 -0.709 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781787065 NDFOQMWAPDKJGM-CFCCAZDESA-N 431.298 -0.982 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1783877632 MDIOLPTXODVFBB-UGSOOPFHSA-N 428.873 -0.203 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786840352 BASDTHDCMCQFCM-XUXIUFHCSA-N 430.347 -0.163 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786982829 DMSIMFZKIBUFAK-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256513 QPTKNFNXHLMBKJ-APYUEPQZSA-N 439.900 -0.790 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3nccc3c1)C2)c1cccc(B(O)O)c1 1795738995 LRQXOQDFWGOCLN-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1796440343 SECTWVBIBJAZNE-OVSYPERQSA-N 444.492 -0.764 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2)[C@H](F)Br 1799347692 VHTWBPGEWGRXSA-WAYYCVMKSA-N 433.234 -0.159 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1801012742 IAAAQHXXDLYOEI-NYUBLWNDSA-N 432.521 -0.447 50 20 IBGD O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807635150 WFEUQMBQCJMBIR-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1822417056 WZGKWXRUXOBQJO-AWEZNQCLSA-N 445.480 -0.300 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1830358580 PMNWUCYJWFWSJY-KZULUSFZSA-N 430.889 -0.694 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732798 ASWYQPJUYCMFKK-MAUKXSAKSA-N 443.840 -0.030 50 20 IBGD COC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801187 STGMVQZMPNQNKB-UHFFFAOYSA-N 445.325 -0.495 50 20 IBGD O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835098932 UXXIRFKNXIWNQM-DEOSSOPVSA-N 448.284 -0.512 50 20 IBGD O=C(Cc1cscn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935708 NFSJQBONIADBDW-HXUWFJFHSA-N 445.306 -0.864 50 20 IBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838501280 HDUQDKXNPKFRHF-YJBOKZPZSA-N 439.831 -0.306 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633023 RIQWKZYRWXEQGR-YVEFUNNKSA-N 443.298 -0.129 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840153091 COXQTLVMCCENSJ-LBTNJELSSA-N 434.921 -0.596 50 20 IBGD COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840185021 FAMRDTJMVGNNOB-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845073029 ZZEUWTAGEQJSQR-LSDHHAIUSA-N 440.504 -0.097 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccccn3)cc2Cl)CCN1 764264996 WTJARHRYUYIDSH-UHFFFAOYSA-N 430.852 0.000 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 764397667 BDXLIJCAGIIEFP-ZDUSSCGKSA-N 442.494 -0.392 50 20 IBGD COC(=O)CNC(=O)NN=Cc1c(C)c(C=NNC(=O)NCC(=O)OC)n2ccccc12 779822240 BMSRFNPZHVJZOC-UHFFFAOYSA-N 445.436 -0.140 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 792811830 MWZFHBKKKPPLDU-LJQANCHMSA-N 442.432 -0.288 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(C)n2)s1 794082123 ZILFGCNCAAIISR-UHFFFAOYSA-N 425.492 -0.173 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)N=c2cc[nH]cc2)s1 802035847 MFCQDRDHZXHPRP-UHFFFAOYSA-N 426.480 -0.668 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 845927624 WSKSPNUZIMHGJK-NXKWAJLKSA-N 442.384 -0.294 50 20 IBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 919889748 SJOFNOCWFMINRJ-UGSOOPFHSA-N 437.478 -0.720 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984231 SEJZHWKQTWORSS-SZMVWBNQSA-N 426.282 -0.387 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc([N+](=O)[O-])o1 1792355465 VHNUCXXILCNATE-FVCICTRLSA-N 429.194 -0.615 50 20 IBGD O=C(Cc1cccc(Cl)n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794194960 WGEASSDTACHYHR-YVWYUNDQSA-N 443.696 -0.139 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3n1)C2)c1ccc(B(O)O)cc1 1795734098 BTXPTILGFUMJOV-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn1C)C2 1796441018 KJNCYSPFIYCMTH-QQGSHNGGSA-N 427.465 -0.243 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2 1797756447 JPXRBGOZBWSJME-CCWDJLKJSA-N 430.509 -0.626 50 20 IBGD Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cc1O 1804893281 PHQVVCAYFHJUBO-OXJNMPFZSA-N 449.276 -0.166 50 20 IBGD O=C(CCN1CCOCC1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966759 LSIZNCMLAYQVDL-UHFFFAOYSA-N 443.353 -0.067 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825199952 TWNFOWHBGJURBT-NXEZZACHSA-N 443.489 -0.497 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1826080911 HCNCDGPFOVALOG-NWDGAFQWSA-N 436.538 -0.046 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048743 GARHNSXZPRINNY-SUMWQHHRSA-N 449.346 -0.113 50 20 IBGD CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833309433 UOZNZNXVWAMQJZ-LJQANCHMSA-N 444.020 -0.205 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833875257 FRYLASMONNDBKA-LRDDRELGSA-N 430.303 -0.084 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n1 1836717195 MPIIZZLJHVGOIK-CQSZACIVSA-N 428.921 -0.082 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837717374 DAIJMORZSDDPEZ-IBGZPJMESA-N 439.541 -0.781 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149933 WROBRCCQPUPHOA-IAGOWNOFSA-N 439.340 -0.050 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 732260469 DSPCWVJIIPEJHS-HUUCEWRRSA-N 442.538 -0.128 50 20 IBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 733662432 KYDZKBOSVKJLCA-LBPRGKRZSA-N 432.524 -0.152 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 755036552 VLTFWMNCPDPQCV-LBPRGKRZSA-N 425.467 -0.288 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 764029082 ZLDXOJHGMZICFV-UHFFFAOYSA-N 430.464 -0.381 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Br 764230445 IIBSYELBMOPSHP-ZCFIWIBFSA-N 425.236 -0.388 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 764325065 BZJRZASXLRWOFH-UHFFFAOYSA-N 426.495 -0.210 50 20 IBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNc3nccnc3OC)cc2)CC1 766272762 VCFFDGNZIUMBQZ-UHFFFAOYSA-N 443.464 -0.138 50 20 IBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 779535545 CTBHTFCTLOPTSM-GUYCJALGSA-N 439.538 -0.659 50 20 IBGD COC(=O)c1cn(CCNC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)nn1 807250360 AVWCYOUACWNHFC-UHFFFAOYSA-N 426.459 -0.527 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1Cl 814735733 FWEWDBXBKPOQPB-PHIMTYICSA-N 440.865 -0.300 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1OCCc2sccc21 815827117 MSJZSJNJCDALOX-MEBBXXQBSA-N 446.489 -0.407 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCc1cc[nH]n1 916637095 APFSRHRNCBTDCL-UHFFFAOYSA-N 436.494 -0.106 50 20 IBGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028694 NZBTZWUTPGQOQK-HXUWFJFHSA-N 443.464 -0.816 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21)c1ccc(B(O)O)cc1 1786980010 YMUWYDFATPYDLY-QEJZJMRPSA-N 440.208 -0.930 50 20 IBGD CN(C)c1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)o1 1794601816 NDTOKBVQBHTTGI-DRXBFXEBSA-N 443.464 -0.744 50 20 IBGD COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1F 1795732505 NLEJUQILQWNLSY-JLVBRIDZSA-N 443.240 -0.574 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1800641528 DMJGBBXGTIYEFG-QKGCVVFFSA-N 434.331 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ncn(C)n2)[C@@H]1c1cccnc1 1805326697 FOWFPMYSPYMGEE-YJBOKZPZSA-N 428.497 -0.097 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807358990 BNFXPTDNTBWPSO-RYQLBKOJSA-N 431.685 -0.319 50 20 IBGD C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cnnn1 1817474852 HROYUYFVWDFZSD-MLGOLLRUSA-N 438.257 -0.357 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830533056 DNCXYHQTICPJPB-CXAGYDPISA-N 448.314 -0.074 50 20 IBGD Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834338841 YDOTWWHMTIVVRU-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836130151 JAPSCMKERQGSAO-KUHUBIRLSA-N 443.884 -0.280 50 20 IBGD CC[C@@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836397843 POZRNYQEDUPRIO-GOSISDBHSA-N 432.993 -0.138 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839663801 PCGOTYQWSRKQRD-IBGZPJMESA-N 438.557 -0.449 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840184935 HUYRSAFWIVYAEG-INIZCTEOSA-N 425.313 -0.381 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)c3cnn[nH]3)CC2=O)cc1 729456084 QGDDRUOWEBALKS-LBPRGKRZSA-N 449.493 -0.351 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(CCS(N)(=O)=O)CC1 746487502 FTBRRQQIEBNWFV-UHFFFAOYSA-N 433.918 -0.984 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 748090243 HHSFVMPUHZMJGX-UHFFFAOYSA-N 425.405 -0.631 50 20 IBGD O=C(COC(=O)Cc1nn(CCO)c(=O)c2ccccc12)NNC(=O)c1cccs1 750366864 NOTXLNKBCFPNDO-UHFFFAOYSA-N 430.442 -0.003 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1=O 763837232 BEUKVHPLXSXPAS-UHFFFAOYSA-N 434.380 -0.285 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 764317504 JGXCGUYZVRUFHD-UHFFFAOYSA-N 430.483 -0.152 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccnc3O)CC2)cc1 766636164 LGIFWZGAJUHYIE-UHFFFAOYSA-N 433.490 -0.137 50 20 IBGD O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)CBr)CC1 777833123 SCDRLXBVSNYFAH-JTQLQIEISA-N 435.387 -0.267 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2cccc(O)c2)cc1 778293743 QDDGRVLLFCXNJT-UHFFFAOYSA-N 434.474 -0.101 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783428594 XJZWHFKUIMPYLS-QGZVFWFLSA-N 446.551 -0.148 50 20 IBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)(S(C)(=O)=O)CC1 795872606 JLFNKMTWUSCZKL-UHFFFAOYSA-N 446.526 -0.430 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797674030 NMXZQCPUOAWDLS-LLVKDONJSA-N 431.496 -0.547 50 20 IBGD O=C(COC(=O)[C@H]1COCCN1CC(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 801346054 MXHDUPJKMDZXNE-RISCZKNCSA-N 447.366 -0.220 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)C1CCN(c2ncccn2)CC1 1116145500 GZDHJLBWKUKPHN-MUIFIZLQSA-N 442.476 -0.607 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1779031675 CXCACQNSDLABEZ-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1779543837 RHEDFFGKONXQPS-SPYBWZPUSA-N 428.606 -0.055 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783344072 YIFNOBVOZZTYHM-FZMZJTMJSA-N 442.247 -0.285 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785154693 IYZVSXVQYQRNRF-VLJOUNFMSA-N 445.314 -0.262 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1788611527 JPHMJGBDACIPGW-WBAXXEDZSA-N 439.476 -0.689 50 20 IBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nn1 1789101569 DCISZWQDVGFYDT-ZVZYQTTQSA-N 440.265 -0.928 50 20 IBGD C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748691 URTFSWASMXEUMX-CCWDJLKJSA-N 431.493 -0.129 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cncc2cnccc12 1798456110 IVFLHKNFCFCJES-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2)NC(=O)NCc1ccccc1 1799869466 JZGAZEUUGWBYCH-REPLKXPHSA-N 447.536 -0.020 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1810304909 HMKBFLWSKRYUFT-DNVCBOLYSA-N 449.475 -0.309 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834259928 SMCLPXUIFRZHEY-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836468972 YWSOUYIHGZVMFF-IFXJQAMLSA-N 441.868 -0.478 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839126136 KAFNYETZGBPLER-HTAPYJJXSA-N 428.294 -0.207 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)cc1O 1839197896 LGYSKPVWKFPSNA-DOMZBBRYSA-N 435.250 -0.114 50 20 IBGD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)COC1 1839779254 LXGPWDCMTFPMDJ-FQEVSTJZSA-N 426.514 -0.758 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1844263432 FJMCNCUXXGQZSW-UHFFFAOYSA-N 428.409 -0.693 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1844353711 ZLJDIXGYPIQUFJ-UHFFFAOYSA-N 438.293 -0.516 50 20 IBGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 732755225 RDNCZPVUTKCHPR-CABCVRRESA-N 442.563 -0.016 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)c1cnc[nH]1 736538791 DCNNHIPPVLUZJU-UHFFFAOYSA-N 443.507 -0.627 50 20 IBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 741143918 AIJSIQVSVYWKQB-SECBINFHSA-N 428.398 -0.589 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742034188 WBWBTSMRVFWKTQ-GFCCVEGCSA-N 439.494 -0.061 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)N[C@H]1CCOC1 752703281 HDQHPLYOFVTPOU-HNNXBMFYSA-N 426.495 -0.241 50 20 IBGD CC(=O)Nc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755495198 QXEJTCJZPVBHDC-UHFFFAOYSA-N 428.409 -0.755 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 763821240 UWOPFZRCWRUMBN-UHFFFAOYSA-N 447.473 -0.707 50 20 IBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Cl 764228525 XUECFDFPNBIWIT-MRVPVSSYSA-N 434.858 -0.460 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COCc2ccccc2)c2ccccc2O1 764362700 HCFPAVBWFASRQQ-QGZVFWFLSA-N 426.429 -0.109 50 20 IBGD CCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 765119276 MSLKANCSNPYUIA-UHFFFAOYSA-N 441.510 -0.341 50 20 IBGD COc1ccc2oc(C)c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 766645270 RYFAOFSMXYRSCZ-UHFFFAOYSA-N 440.416 -0.042 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(I)cc1 783999055 JRFYWSFAMIZBRK-UHFFFAOYSA-N 430.202 -0.001 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066902 DGWXEJKCGCDWHA-AWEZNQCLSA-N 425.467 -0.630 50 20 IBGD Cc1nc(Cl)c(Cl)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 805192172 ZVHHWMKVKNLKDY-UHFFFAOYSA-N 440.247 -0.095 50 20 IBGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)N2CCN(C)CC2)C1=O 807382534 KMTTYXKDQIRLKJ-HXUWFJFHSA-N 432.481 -0.241 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778857439 JMOVDVTZQSPFCX-YDGKCNFYSA-N 427.310 -0.850 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1779028898 PHCACSRFQQFKLD-OAQYLSRUSA-N 440.460 -0.397 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780365657 IXIMYKAKSOCUIK-MRXNPFEDSA-N 447.418 -0.360 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781819000 UFVMXYOZHBQXEW-HXUWFJFHSA-N 436.465 -0.380 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1784317842 UNLPRBQHRWCLCZ-JOCHJYFZSA-N 440.309 -0.286 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788637835 FKTHXNABJKNHHF-QXKUPLGCSA-N 434.873 -0.939 50 20 IBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)C(=O)C(=O)O 1790635562 ROYRADDQZVFTEP-QFOLPQNPSA-N 438.250 -0.800 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1792189073 PSSAQLBKNTUKMM-FJIDUMEYSA-N 439.557 -0.356 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1793838646 KYHJTXFHGPTEJO-PTEHBNRSSA-N 428.338 -0.890 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O 1801515031 RHMCNZSCPRPRSV-ZWUHOBOKSA-N 435.506 -0.486 50 20 IBGD Cn1ncnc1C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1807958439 VDJCVFXOLJLYKA-UHFFFAOYSA-N 426.481 -0.028 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813070385 GTOPGAPTBLRFAU-GUXCAODWSA-N 430.509 -0.261 50 20 IBGD CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)C(=O)O 1815086526 MYVMWUOBUHOMCR-PWSUYJOCSA-N 440.526 -0.509 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1cc(=O)n2[nH]cnc2n1 1815323930 QHJLMYHXFKBVMV-XCBNKYQSSA-N 437.869 -0.300 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cn1nnc3ccccc31)C2 1844263469 IHBVFVLTBMEPRN-UHFFFAOYSA-N 434.460 -0.053 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)N1CCCC1 1848057729 CRYLIIZOZFMYJZ-IRXDYDNUSA-N 428.493 -0.097 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 734240952 XOWBLUIPXMQKJE-AWEZNQCLSA-N 442.517 -0.978 50 20 IBGD Cn1cc(C(=O)NNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cn1 735580144 KUSLISGJSTXKMN-UHFFFAOYSA-N 437.262 -0.711 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2CCN(c3ccccn3)CC2)n1 741038853 GZDDCSQETWPIRI-UHFFFAOYSA-N 432.506 -0.098 50 20 IBGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1cnn(C)c1)N1CCOCC1)c1cnn(C)c1 741766510 MMFSKONOQMNRDN-GOSISDBHSA-N 443.512 -0.375 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748111060 GZPRXUOVAOFHSL-CQSZACIVSA-N 444.510 -0.155 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 756275399 XNWOHMQWTCIFPP-LLVKDONJSA-N 429.524 -0.034 50 20 IBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765732491 WBEIVFSLKSTJLX-SNVBAGLBSA-N 434.840 -0.298 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 784004307 FOTMXHSAUSNDJJ-UHFFFAOYSA-N 431.409 -0.016 50 20 IBGD Cn1c(NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc2ccccc2c1=O 793497344 IYVPLLGGFFKPKH-LJQANCHMSA-N 428.449 -0.008 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc([N+](=O)[O-])o1 1783359709 JHPDBPOMGVDXNC-QRTARXTBSA-N 443.221 -0.225 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783536051 CUTFEFOJMSCHPF-MGPLVRAMSA-N 426.271 -0.198 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc(O)n1 1786979712 AZLOOZOTSPEIHM-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983901 FATSSUWUZUOQFU-DSLXNQLJSA-N 430.310 -0.467 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cn2ccccc2n1 1787840461 NZDCRFUGNVJZOY-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788701247 ZGDRAEIIRLBZOX-IICXDKKESA-N 439.900 -0.826 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1788765972 YABBGIYVMBDFQY-FQUUOJAGSA-N 426.546 -0.584 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789142564 RNMFPVWYYFSBTI-ZVZYQTTQSA-N 443.508 -0.304 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801452810 XENUCIFJUVGTMI-UEILYKACSA-N 426.282 -0.664 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802918832 KGGGXLONQLOTBW-OAKSSPRASA-N 428.449 -0.468 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814928221 RSLVNDSNZKFCLR-NSHDSACASA-N 436.542 -0.732 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793701 RLSQVBSVLWJUSA-UWVGGRQHSA-N 445.505 -0.121 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012942 LMBKKMPMIGADNZ-GUYCJALGSA-N 448.314 -0.074 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc[nH]n1 1833561783 MLJQZJXTLZRUAV-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD O=C(Cc1cccs1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935756 PQFHAXQLURFABQ-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836064321 KFEXEPGEZOSQCT-UHFFFAOYSA-N 447.540 -0.260 50 20 IBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839072933 KHOIXYKQSKZHNH-AUUYWEPGSA-N 449.932 -0.044 50 20 IBGD Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182796 VHGLLSBBTVPTHC-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCn3cc[nH]c(=O)c3=O)cc2)CC1 728213869 DTMSSLVOCWSJQT-UHFFFAOYSA-N 436.494 -0.994 50 20 IBGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1Br 732174168 XBKLRLGJPMBMMT-UHFFFAOYSA-N 446.283 -0.069 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2COCCO2)o1 744642236 ITJUNFQHOHSCGW-DGCLKSJQSA-N 445.450 -0.828 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1Br 748077543 VSNHNBLMUWPJSE-UHFFFAOYSA-N 445.251 -0.120 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2c(-n3ccnc3)nc3ccccn23)c(=O)n(C)c1=O 755619507 NAUCUVDPFHXFGW-UHFFFAOYSA-N 439.461 -0.445 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc3c(c1)OCO3)CC2 763559516 RYRCOBDTNUKXEP-UHFFFAOYSA-N 446.441 -0.326 50 20 IBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cnn(CCN2CCOCC2)c1 764152021 BRRLWSYAWPOYGW-QGZVFWFLSA-N 428.449 -0.695 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2nc(C3CCCC3)no2)n(C)c1=O 765724090 HVWGESOKKYUOJE-UHFFFAOYSA-N 444.452 -0.746 50 20 IBGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1OC 793451321 RCNZVFUREVDJFR-JTQLQIEISA-N 439.450 -0.346 50 20 IBGD O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212353 GDZZXCFMJBQNNG-LLVKDONJSA-N 433.284 -0.304 50 20 IBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1322249653 SWDWIXQJPPKEGK-UHFFFAOYSA-N 435.481 -0.725 50 20 IBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777821891 OEGFKAFFUKURPU-AEDCBLDQSA-N 437.888 -0.043 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779056160 WHUCBGWUEQUVEQ-VFNWGFHPSA-N 439.281 -0.900 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779535792 CEUKHXXHFFBPCE-GCKMJXCFSA-N 437.541 -0.436 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804729 GPRWXJCPCUSWGE-XQLPTFJDSA-N 427.885 -0.465 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785873296 ZUQHWCBMSNNEFL-ZOBUZTSGSA-N 433.509 -0.648 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1C 1787673417 VCWPMJQJQBZEHG-VDGAXYAQSA-N 425.294 -0.080 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189366 DFOACOXNZFLKSS-DFGXFYAUSA-N 447.297 -0.539 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1800973558 FLIBGHNTFXITEP-LOUJCGABSA-N 426.901 -0.022 50 20 IBGD CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835202926 SBUPACQDQZVHNE-OAQYLSRUSA-N 433.509 -0.191 50 20 IBGD Cc1nscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929475 QMVJZFPKFKNLMO-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933950 HZQDOHGOJWQVRH-PXNSSMCTSA-N 436.339 -0.609 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1835934074 MBKUXSPHNXDBCU-WIYYLYMNSA-N 432.282 -0.995 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1835940012 SOSHYZNONHQGPI-XLIONFOSSA-N 434.323 -0.668 50 20 IBGD O=C(Cc1ccccn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836187374 RDKWHBPSPBOOEL-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD COCCOCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837767221 KDIJKWBSGXKNCJ-UHFFFAOYSA-N 448.325 -0.358 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)no3)CC2)CC1 1837921196 KURXYOYEZIFWJN-UHFFFAOYSA-N 443.265 -0.014 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235428 UTLZJQYWIVRZKB-XJKSGUPXSA-N 430.303 -0.235 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385158 XQHHKWMFQDGEKD-HNNXBMFYSA-N 426.470 -0.942 50 20 IBGD CC[C@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728959603 NUJBTCXICDUQLC-INIZCTEOSA-N 446.556 -0.034 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732474419 LXYWOTXSUOJDJC-MRXNPFEDSA-N 439.494 -0.244 50 20 IBGD CCOCCCn1c(NNC(=O)CN2C(=O)C(=O)N(C)C2=O)nc2ccccc2c1=O 733269106 YXJMPESOZPVPAD-UHFFFAOYSA-N 430.421 -0.313 50 20 IBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 738505474 KWDXIJZJYZLDIV-CHWSQXEVSA-N 432.481 -0.799 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2)CC1 740746870 UQQHRIPMKCUQJV-UHFFFAOYSA-N 444.477 -0.037 50 20 IBGD Cn1c(=O)ccn(CC(=O)NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1=O 747942722 CKWBXKPEOKJWPW-UHFFFAOYSA-N 436.475 -0.052 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)N[C@H]2CCc3ccccc3C2)n(C)c1=O 764515677 QAJBYJMKRHXMAJ-AWEZNQCLSA-N 441.517 -0.514 50 20 IBGD Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639115 MUTOUNZNFOLDQW-UHFFFAOYSA-N 430.469 -0.537 50 20 IBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 770252987 KYPLHTHJIYLNOB-UHFFFAOYSA-N 433.556 -0.875 50 20 IBGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CN(C)CCO1 770436936 DIIVPRJEXXHVDT-GOEBONIOSA-N 441.558 -0.637 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cn1 770442707 ONNLHIMGTKOJRV-UHFFFAOYSA-N 431.430 -0.178 50 20 IBGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(F)(F)F 805769206 MIZSENPYRMMPFU-NEPJUHHUSA-N 440.400 -0.021 50 20 IBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 810347895 DORVZMICKNXZDU-UHFFFAOYSA-N 443.489 -0.309 50 20 IBGD CNC(=O)NCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 814252575 DQLUQVVYDJLVPH-UHFFFAOYSA-N 441.510 -0.893 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cn(C)c2c(cnn2C)c1=O 1322358089 NZJVERSMXDPRLA-UHFFFAOYSA-N 431.478 -0.052 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779326495 XPDIXPRZDDOMLC-OPAMFIHVSA-N 438.293 -0.295 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781758044 DUUBVXXDVSMHDZ-QFIPXVFZSA-N 437.261 -0.777 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782226500 ORDSNDFLKMEYFH-AUUYWEPGSA-N 444.554 -0.309 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984366 IVBGORGRSJAPRI-VMXMFDLUSA-N 438.289 -0.307 50 20 IBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nn1 1791290916 SAOYEXBVKJHUKO-DZKIICNBSA-N 434.497 -0.549 50 20 IBGD Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c2c1CCC2 1797045723 HPTMDJQXDQAITB-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440299 HUFYPCSRWXSXTB-JJHQXXDFSA-N 434.453 -0.999 50 20 IBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799348834 BPSXOOJUTLDLGX-QCMRWSPLSA-N 425.324 -0.250 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1800977730 WOYWBNPNGRVCAC-OKWIKPQFSA-N 435.905 -0.327 50 20 IBGD Cc1nc(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)no1 1833811892 INEBXKSLZSPUMD-UHFFFAOYSA-N 449.556 -0.135 50 20 IBGD CNCCCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834712004 ABKYJGFATKWTQF-UHFFFAOYSA-N 445.568 -0.130 50 20 IBGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801125 QNSXFKPYXKFWBN-UHFFFAOYSA-N 447.370 -0.822 50 20 IBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835490359 FZLWFGZRAQLMJB-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931337 NBDJOFJYPKKYNX-HSZRJFAPSA-N 449.272 -0.378 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837738747 YIBQSPDZQVSJBO-YZVOILCLSA-N 426.901 -0.062 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840358917 DWMILQRRFKXOSS-URKNILKWSA-N 426.901 -0.429 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 14317350 CYUPTVMDHCUBGS-UHFFFAOYSA-N 427.211 -0.466 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)NCCSc2ccccc2)c(=O)n(C)c1=O 18945238 JDWSZGIAVGNVFG-UHFFFAOYSA-N 440.576 -0.141 50 20 IBGD C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1cccn1 728331072 AAPZAAGFONJLGH-BBRMVZONSA-N 445.432 -0.567 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 729276149 XTUQBHYQJUWGGY-JTQLQIEISA-N 441.535 -0.188 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730578414 OTUJWQCAEFGDNW-UHFFFAOYSA-N 432.524 -0.217 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 732197033 JWZCWMZVVMDOJW-LLVKDONJSA-N 432.524 -0.213 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 734241744 TXLOSOPLQLQLPQ-CQSZACIVSA-N 433.469 -0.038 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 755358593 FLSGZAHTCDPWRO-GFCCVEGCSA-N 447.539 -0.048 50 20 IBGD C#CCOc1ccc(F)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756756268 GXOTWLHCCCCUKA-UHFFFAOYSA-N 443.395 -0.562 50 20 IBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)o1 764370803 DLRNIAMYTKHIJB-UHFFFAOYSA-N 449.489 -0.076 50 20 IBGD NC(=O)c1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765117490 GRDRGZGQTMRZTG-UHFFFAOYSA-N 445.501 -0.447 50 20 IBGD CCCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)c2ccccc2c1=O 770466166 JGKZEGPSIRZDDG-UHFFFAOYSA-N 430.446 -0.076 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 772067670 PLDXNQVORWGTNA-NSHDSACASA-N 429.499 -0.382 50 20 IBGD COC(=O)c1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 774257219 WHTQQCVNRGVAAC-UHFFFAOYSA-N 448.457 -0.036 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 774660301 ZONVBXNJXBWTHB-OLZOCXBDSA-N 440.526 -0.132 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCC(=O)N2 794920263 HXUUZYDCWIBGPH-UHFFFAOYSA-N 425.405 -0.695 50 20 IBGD Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1=O 806979962 HFEDXXHECAHOQC-INIZCTEOSA-N 432.408 -0.155 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)CN2CCCC2=O)cc1 918100296 WGDWFTPVZJJDFC-CQSZACIVSA-N 425.511 -0.043 50 20 IBGD Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(O)c1 918338751 ASSXHWRWUFCJDS-UHFFFAOYSA-N 432.458 -0.104 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 920297354 CEEGAIYGXFLIAT-KBPBESRZSA-N 446.551 -0.519 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783355063 IKYXJXGLMYITSE-PXAZEXFGSA-N 428.283 -0.085 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1783936372 MNTINIGHZLSHLK-OAQYLSRUSA-N 432.525 -0.036 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981009 KUXOVWQLBPZYHC-SZMVWBNQSA-N 425.250 -0.626 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986856 NAEVCVNYKZEHHW-FFGOWVMKSA-N 445.325 -0.736 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1cccn1 1791641425 ZHAODXCYTMOGIH-USJZOSNVSA-N 441.492 -0.264 50 20 IBGD CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792976587 YDLGRHVWAXKNIN-NOXHYTERSA-N 445.925 -0.571 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795521988 MJAVOHMWNBFNMY-NOHGZBONSA-N 442.247 -0.526 50 20 IBGD Cc1c(F)ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1N 1795701153 XOJAUPMJSLFREO-YVWYUNDQSA-N 441.268 -0.087 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nc[nH]c13)C2)c1cccc(B(O)O)c1 1795739150 YKIZZNHLXLLBQH-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2O1 1797228998 UADCDQWSWKGUSB-VWFIUDSGSA-N 430.505 -0.047 50 20 IBGD CC(=O)O[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C(C)C 1801011200 AHDQCSVHFFCUMF-QXGSTGNESA-N 426.514 -0.463 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nccn13)C2 1801012781 LJZDBUBKVMXNCC-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD COC(OC)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803345295 FPPBPWGSXPPQRJ-FUHWJXTLSA-N 427.266 -0.300 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808961119 OZDPICNWVDVDQQ-JXFKEZNVSA-N 428.497 -0.248 50 20 IBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1ccnn1 1815360114 MUHSZLCCLQOYHP-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cnnn1 1817479119 HDSXZLLFHNWOLH-WBMJQRKESA-N 438.257 -0.357 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832803202 IWEJNUSZYAHKGK-YOEHRIQHSA-N 445.860 -0.499 50 20 IBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1833313244 BRBXFEQPMKCFGA-APWZRJJASA-N 444.020 -0.206 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833447059 YXCHEMLKHPLOIG-FZKQIMNGSA-N 430.889 -0.248 50 20 IBGD C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833468576 CEMLFLYKBBTYHK-QGZVFWFLSA-N 435.569 -0.031 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833800382 QMOZNVGTTFIIFU-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C3=COCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834800598 QPSKEAJCDJYSBM-UHFFFAOYSA-N 427.310 -0.144 50 20 IBGD Cc1ncoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935368 PPQKIKTVCVNYKV-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840013115 WMBFKPUQRVZTEH-WPWRZWQBSA-N 447.492 -0.244 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840151000 UMYWGGLKUIQDBV-FZKQIMNGSA-N 428.873 -0.191 50 20 IBGD Cc1cc2nnc(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)c(C)n2n1 1846384861 SBLMFWBTKVDMPR-UHFFFAOYSA-N 428.497 -0.069 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 728372533 RYXMYRLGBKIYET-KBUPBQIOSA-N 425.507 -0.066 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 732197334 GGJZUKLMZFXUNX-GFCCVEGCSA-N 429.499 -0.733 50 20 IBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)c1cnn(-c2ccccc2)c1 750284473 DAVCNWGJDQWZQH-UHFFFAOYSA-N 433.450 -0.076 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 758043724 JOMSLNHIYBFDJO-ZETCQYMHSA-N 442.313 -0.449 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 758049265 YTPSHRPGEMKNMB-LBPRGKRZSA-N 442.519 -0.407 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)n(C)c1=O 765732632 QCIGNYFLUGKIGS-UWVGGRQHSA-N 432.387 -0.337 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 767823172 REDLBURAJPEHTB-RBSFLKMASA-N 437.522 -0.128 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)CNC(=O)OCc1ccccc1 794063760 QYPXBJZHDUHFFO-KNCCTNLNSA-N 444.444 -0.387 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806979030 PZSAGKVISWBHGB-HOTGVXAUSA-N 437.456 -0.193 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cn1C 812732825 BNBYUQALGJFSEL-UHFFFAOYSA-N 444.539 -0.209 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 813033912 QXOOXJNHVRRWJV-UHFFFAOYSA-N 430.450 -0.006 50 20 IBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)n1cccn1 917494572 QFRQGCLNLLYHLY-ZDUSSCGKSA-N 436.494 -0.386 50 20 IBGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919888925 HUZZPHDZLFTWIG-VMBJYNEYSA-N 429.499 -0.605 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 920239228 YEEFZOCPROZLTR-CYBMUJFWSA-N 447.539 -0.695 50 20 IBGD C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1779028108 DMJPDRBGQFBFML-IRXDYDNUSA-N 445.398 -0.558 50 20 IBGD Cc1ccn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028904 PLBMKMFKSFKJDO-HXUWFJFHSA-N 427.465 -0.666 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)no1 1779802061 QNPDPZOEFBUPFV-OXQOHEQNSA-N 429.238 -0.499 50 20 IBGD CN1CCCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780589539 QYIFFESYLNDWFC-TXTKFYIRSA-N 443.353 -0.022 50 20 IBGD COC1(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CCC1 1786982111 MOCHEOLPTPFSHS-WDSOQIARSA-N 430.310 -0.081 50 20 IBGD Cn1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1787011584 OFDBCGHCUOQQIK-IHPCNDPISA-N 440.309 -0.674 50 20 IBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(Cl)CCl)[C@H]2C1)C(=O)C(=O)O 1789872120 PJDCFDMVBBOENV-UWCDFFNFSA-N 438.308 -0.255 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CCC(CO)CC1 1793852645 LNODDNVAFHOICB-UPMMPCJVSA-N 430.310 -0.632 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1C=O 1795747607 BWIGLAILCRNISC-DFYYWFRZSA-N 439.277 -0.555 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2ccccn2n1 1796832795 MHZUQWVMCBFSBG-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(CO)c(F)c1 1801899492 MZZLVLXGFANCGP-XEMDLRDOSA-N 442.252 -0.485 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1807361785 XROBGEDLQZTFMC-RYQLBKOJSA-N 438.249 -0.811 50 20 IBGD O=C(Cn1nccn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808935097 MBEPLOGPLGCLGV-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)C(=O)O 1815086527 MYVMWUOBUHOMCR-ZYHUDNBSSA-N 440.526 -0.509 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817299328 SSVNSGLCRPAKEX-XHDPSFHLSA-N 444.322 -0.085 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CCO2 1830497075 XETODTJCTIJZTN-JKSBSHDWSA-N 443.504 -0.199 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1830736848 WWEQQXOXMFIXTI-HLIPFELVSA-N 426.897 -0.354 50 20 IBGD CC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834439597 XXQGJXKNQFCEMQ-UHFFFAOYSA-N 429.326 -0.079 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)O1 1836605604 GUMSSKBRGSBSLO-ZVGUJKQYSA-N 447.492 -0.677 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837396796 KNWMJDMNGWNBCP-AVRDEDQJSA-N 446.309 -0.991 50 20 IBGD Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183418 DBYVLCIMDQIRCG-FQEVSTJZSA-N 437.497 -0.266 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840480059 MMXZTVNKHZIPTO-HUBLWGQQSA-N 431.291 -0.526 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843415786 MDRLCZXIQCQYCT-ZVHZXABRSA-N 437.265 -0.683 50 20 IBGD C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)C1 725871928 ILSSNLINXJMECD-HOTGVXAUSA-N 448.524 -0.128 50 20 IBGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 727064807 CBBKSNXEJYXXQO-UHFFFAOYSA-N 449.580 -0.871 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)Cc2cccnc2)c1 730025710 NVYSOYJABVMMKO-LBPRGKRZSA-N 434.478 -0.110 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cn1C 732262894 XBEHBNIQOAHSJH-BETUJISGSA-N 430.531 -0.956 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)CCOc1ccccc1 747179345 KPBWPULPTOKRCQ-UHFFFAOYSA-N 434.430 -0.142 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1C 748106645 PHRHTUDNYZRIAI-UHFFFAOYSA-N 427.483 -0.766 50 20 IBGD COC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)nc1 759724674 BPCPCIWESHBVHM-UHFFFAOYSA-N 441.491 -0.013 50 20 IBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 786687752 JRDXEUKMSQJVHJ-UONOGXRCSA-N 438.506 -0.240 50 20 IBGD C=CCNC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801103011 VKWZQNIBMNKNJZ-UHFFFAOYSA-N 443.526 -0.027 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1783877709 NPOFWEAHYRIKTJ-IQUTYRLHSA-N 439.900 -0.321 50 20 IBGD COc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786010548 NVRDUMGUVCRQRY-SNRMKQJTSA-N 439.277 -0.323 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979749 DOHGLEKOOTWUFL-IHPCNDPISA-N 438.293 -0.618 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980197 UQZPNKXFRITESR-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD CCn1nc(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787288443 PUYXCBNDNPXAKE-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)C1 1789740130 FXXHJLCQARUHCT-LNMJFAINSA-N 444.536 -0.380 50 20 IBGD CCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794943169 DAEXCBAVZMVUFT-DPIQGUFMSA-N 428.449 -0.248 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(Br)CC1)C2)c1ccc(B(O)O)cc1 1795736272 UOLPRMAAEMKGIA-AGGWBTHJSA-N 437.099 -0.503 50 20 IBGD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795737322 ALVCWNCSBPFHTQ-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc2ncccc12 1799975423 CUVLKTLKCLVPJR-CWPLJXCYSA-N 446.272 -0.173 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801380083 HSWKBOAXOTUJON-VPTLXERWSA-N 434.541 -0.458 50 20 IBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cnnn1 1815347547 COJRLVRXADCNAV-ZWNOBZJWSA-N 441.282 -0.704 50 20 IBGD O=C(Cn1nccn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360622 VQKBKXHAASRBRQ-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD O=C(Cn1cccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815710676 PAYHWMXJLAGDHU-CQSZACIVSA-N 425.279 -0.055 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830205567 MVTNPOGJTGTNDL-SNRMKQJTSA-N 444.536 -0.359 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719557 FWGQPHKMGLLMRT-NJSLBKSFSA-N 449.932 -0.044 50 20 IBGD O=C(CCc1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833048237 OGGBGMPRIVFPTC-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD O=C([C@H](O)CCl)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1836717143 KEYMGYYOPLMDCN-VQIMIIECSA-N 433.933 -0.765 50 20 IBGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1837457119 XXZUNRONKKJLKF-NRFANRHFSA-N 431.493 -0.055 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710244 QLQIMLGISIGDGQ-QGZVFWFLSA-N 436.603 -0.271 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199939 AHBSQJPWPXOLKD-IUODEOHRSA-N 433.234 -0.470 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840129338 QJVXNJWSMGPYIK-YCRPNKLZSA-N 432.282 -0.948 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185274 IJFJRKNDXNEJKT-KKSFZXQISA-N 440.541 -0.611 50 20 IBGD COc1cc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc(OC)c1OC 23391472 UYFREIXYTMGJSX-UHFFFAOYSA-N 445.475 -0.017 50 20 IBGD COc1ccc(C(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 729951793 URGKUQBZULBQPQ-LLVKDONJSA-N 438.462 -0.370 50 20 IBGD COC(=O)c1sc2ccccc2c1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 731596517 NUIIDDDABXVVMQ-QMMMGPOBSA-N 435.505 -0.065 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 734815717 OQZNZTWIWXXYIQ-UHFFFAOYSA-N 425.394 -0.028 50 20 IBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 734821478 LCVFMFHIINIKAK-UHFFFAOYSA-N 434.457 -0.199 50 20 IBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N1CCOCC1 745996450 YDVJSQCRNXDKGT-UHFFFAOYSA-N 442.494 -0.021 50 20 IBGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 757804143 SAWWLHSSVTZZCT-RYUDHWBXSA-N 449.555 -0.005 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)C1 758056012 QWSYXGJPNGZPQV-STQMWFEESA-N 446.551 -0.194 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn(CC3(C)COC3)nn2)cc1OC 759759579 BTJSCBBRBWPAPS-UHFFFAOYSA-N 433.421 -0.050 50 20 IBGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 764233333 UYBWASQJNJOAMB-JTQLQIEISA-N 428.496 -0.675 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1C 764277046 GWIPLDBINHKRLG-UHFFFAOYSA-N 436.446 -0.226 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 771868424 OVCHQBPXSHMJEB-NSHDSACASA-N 431.442 -0.051 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2(S(C)(=O)=O)CCC2)cc1 793273603 PBZAIBPQCJASJA-UHFFFAOYSA-N 446.551 -0.087 50 20 IBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(F)cc1C 795313386 FBHYUKRAZPBFRR-SECBINFHSA-N 425.460 -0.442 50 20 IBGD COC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c[nH]1 814194660 MAMYLOBYVQESQI-UHFFFAOYSA-N 436.446 -0.103 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212456 LIJNUXQDQURJJM-SECBINFHSA-N 440.450 -0.849 50 20 IBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C1CC1 1317761635 HFORZJIYSBNWND-HMVFGEFZSA-N 429.520 -0.063 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778896401 ZSUDTULXTPSOET-INIZCTEOSA-N 438.403 -0.705 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C1(O)CCC1 1779028264 BBOGTDNTGPQVBB-JLTOFOAXSA-N 431.493 -0.320 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1779030833 IWCUFOZPSWMPPZ-OAQYLSRUSA-N 430.509 -0.386 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1783882133 OFHLKOFOVGZYNH-ORAYPTAESA-N 435.868 -0.213 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982146 PFERDDPAJMKQJY-LQJIQPLVSA-N 440.309 -0.508 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1794318655 DFUWPFWNXINVPH-NEBZKDRISA-N 431.898 -0.712 50 20 IBGD CC(C)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)C 1795717671 RGCAQAJDVSOBHY-QXGSTGNESA-N 446.552 -0.089 50 20 IBGD N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1cccnc1 1795734852 ZGLJJGGKKLFXIF-SHJAMOMRSA-N 438.293 -0.945 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736665 ACAFLTCZVPIZAA-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD O=C1Cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)ccc2N1 1797328718 FHSXMUDYSFKLNL-UPHUGPLXSA-N 449.272 -0.622 50 20 IBGD CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797608820 WQOMQKDQQYACQD-GKLBINQVSA-N 437.522 -0.953 50 20 IBGD Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797750424 BTXDZQYKTSZSLU-DPIQGUFMSA-N 445.505 -0.709 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806077991 HFAFSTAFRGUIQM-JQFCIGGWSA-N 446.895 -0.059 50 20 IBGD O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807596301 KBFVYFVMAISQMZ-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830543726 ALJNXSSNWBKTFE-PBFPGSCMSA-N 434.331 -0.002 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727847 IDBYGMNOVFKNJH-MAUKXSAKSA-N 430.889 -0.801 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1831650988 MHZPMSACWLGMLQ-SUNYJGFJSA-N 435.905 -0.085 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cccc(B(O)O)c1 1834800558 MHZANORSUHCELC-GOSISDBHSA-N 437.733 -0.849 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835544420 ISYAZIUOUCEDTN-UGSOOPFHSA-N 434.921 -0.466 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1835933959 KEUZZHHIQWXDBD-VGSWGCGISA-N 441.293 -0.501 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937899 AJDBWINCKPWZLV-OAQYLSRUSA-N 442.281 -0.910 50 20 IBGD CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCO1 1836272767 QUMGALQHIDEZEH-NRFANRHFSA-N 445.476 -0.551 50 20 IBGD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)COC1 1839777348 LYZRLNMKLVXSCY-OAQYLSRUSA-N 447.492 -0.818 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)no1 1840188472 LWQQKRNVXZSOEY-QGZVFWFLSA-N 449.291 -0.027 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840216709 JLHVLLKOAODDFO-OAQYLSRUSA-N 445.476 -0.551 50 20 IBGD CCn1c(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc2ccccc2c1=O 10322822 IUSBSYVEFTWMDI-UHFFFAOYSA-N 438.448 -0.303 50 20 IBGD O=C(COC(=O)c1sccc1-n1cnnn1)NNC(=O)[C@H]1COc2ccccc2O1 728324111 PMMAXJKJJJMWKG-CYBMUJFWSA-N 430.402 -0.132 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 741212249 HZOHOLHPNJJQAK-CABCVRRESA-N 438.506 -0.179 50 20 IBGD Cn1nnnc1SCCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744622026 MKBWHJGQCUFWKM-UHFFFAOYSA-N 427.512 -0.144 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 756499347 ZVNOUTCQMBNTES-SNVBAGLBSA-N 434.471 -0.047 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)CNC(=O)c1cccnc1 763818967 SFDHXNIGOLLACK-UHFFFAOYSA-N 441.416 -0.394 50 20 IBGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 763996081 BMXXFRAKPNYTMY-MRVPVSSYSA-N 434.268 -0.022 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 764318367 WKGBSLVPZFAQCQ-UHFFFAOYSA-N 443.526 -0.095 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc2c(cc1Br)OCCO2 764423493 AUUOFHWBVDPATP-GFCCVEGCSA-N 430.211 -0.278 50 20 IBGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)CC1 764427316 YWKDZYLAKKNMTE-MRXNPFEDSA-N 439.900 -0.017 50 20 IBGD COc1cc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 775898178 UNBAXHACRVWZOI-UHFFFAOYSA-N 433.400 -0.257 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786366757 KGAFWCITPSXNQF-IONDEXAJSA-N 443.456 -0.219 50 20 IBGD CN(C)CCOCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 788018020 NGBLDKLMPOKHKD-UHFFFAOYSA-N 429.547 -0.778 50 20 IBGD CC(=O)N(C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 914710723 CYEQAZXKDPHCGN-UHFFFAOYSA-N 426.495 -0.734 50 20 IBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1318773022 ZUJLWAUAVTVNRV-UHFFFAOYSA-N 426.495 -0.225 50 20 IBGD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1780433674 ZPYCJVYSZFITDY-HXUWFJFHSA-N 443.464 -0.816 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330698 DEGZIHBPGTVZMK-CZUORRHYSA-N 429.051 -0.500 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782839170 MELBMRNTABVUDP-REWPJTCUSA-N 435.289 -0.153 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785442313 FVYNNZFZGRHKKS-UTKZUKDTSA-N 446.508 -0.567 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnccc1F 1787194865 KEXKNKBQLRXOMH-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1791255656 XSVNANOIHDUNBB-QUSNUVHPSA-N 448.900 -0.285 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800756025 DDQHWBXTAPGUMF-IKVITTDRSA-N 425.088 -0.647 50 20 IBGD Cc1nn[nH]c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815936366 TTXPQVGGEMNMAI-GFCCVEGCSA-N 426.267 -0.211 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052602 RIUORPLBCQBGMO-IBGZPJMESA-N 438.293 -0.003 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830537582 KWKQVEXXOWFGLL-DOMZBBRYSA-N 441.344 -0.482 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnco1)CCO2 1831930728 SZCZCDJIKHQAOX-BTVXTAIASA-N 444.448 -0.121 50 20 IBGD Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1833853282 YXDIHSZIFGIHPN-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1835928663 UQUNGTJINLINFC-FQEVSTJZSA-N 448.668 -0.003 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1835929148 CEPMGSZOLFKLSR-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929386 NGJMJOMJKMBMRM-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838203280 ITGUUKFLIGIQTH-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840261647 PNTLUSYKALUQRQ-LIRRHRJNSA-N 427.885 -0.225 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 728370013 PAYYERQGSSQDGU-DZGCQCFKSA-N 429.520 -0.188 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(N3CCCC3)c2)n(C)c1=O 756239070 ZCMBDEUCSLQHCE-UHFFFAOYSA-N 440.464 -0.113 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1ccccc1F 764232089 RAMDGZRQZHMNPO-SECBINFHSA-N 426.430 -0.657 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccc(OCCC(=O)O)c2)n(C)c1=O 764813456 ZJINJJCPVXWJFM-UHFFFAOYSA-N 428.405 -0.563 50 20 IBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 771605988 VRXHFSZHXGUWKG-UHFFFAOYSA-N 435.853 -0.058 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 771883334 SZNGSBSPIFFMEH-NSHDSACASA-N 431.442 -0.051 50 20 IBGD COC(=O)c1cnc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 779676448 XMBHGCRJKAZQTF-UHFFFAOYSA-N 426.433 -0.518 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785658871 DZCJBULOTSXXMX-KRWDZBQOSA-N 443.460 -0.957 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc3ccccc3c2)n(C)c1=O 789897071 SRBMNAOEFZPRNM-UHFFFAOYSA-N 436.428 -0.187 50 20 IBGD C[C@@H]1CC(=O)C[C@@H](C(=O)NNC(=O)c2cccn2C)[C@@H]1C(=O)NNC(=O)c1cccn1C 791124687 SCSWHVCDSWEWKB-SUYBPPKGSA-N 442.476 -0.183 50 20 IBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 795276722 SYRXXHGLGDJGKK-UHFFFAOYSA-N 443.507 -0.627 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 807379998 LYHMQNYBKYVWAQ-OAHLLOKOSA-N 440.482 -0.264 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 915880278 DNTMIRRADVXLIG-CYBMUJFWSA-N 432.524 -0.152 50 20 IBGD CNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 919879266 VTDAYZCOVDTAFV-UHFFFAOYSA-N 425.511 -0.123 50 20 IBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1318361249 SGDNIYXCTJEKQF-UHFFFAOYSA-N 439.542 -0.524 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1779032105 LNDNHWHJFJDDEA-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781787978 VKOLZFXBWFTEGR-QKAVXHIFSA-N 446.508 -0.663 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1782172399 UERCHWBYRRCNEM-NVAPZFDKSA-N 430.889 -0.648 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783936816 UWNIIZQQSGVASL-OAQYLSRUSA-N 446.508 -0.144 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1coc(Cl)n1 1785672353 AEUFFRKAHWAQRI-NOLJZWGESA-N 433.657 -0.085 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)cn1 1786214265 URTNJELMTZLCEO-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nnc3C)[C@H]2C1 1787184796 ZZLSCLPHPPQNBB-DVBSWERSSA-N 442.480 -0.160 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nccc2nc[nH]c12 1787355353 SUJMJAWJQGXKNK-ZVZYQTTQSA-N 449.276 -0.455 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507767 RAUCHDVYNKRCPP-VSYLZEMQSA-N 446.508 -0.375 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607834 MRLMHBKMHZKZHJ-PYTWLRIVSA-N 446.508 -0.807 50 20 IBGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nc1 1794087517 KJMXMMANQFXSDM-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1cccc(B(O)O)c1 1795740190 BTGDKLBXYBVAST-FVCICTRLSA-N 428.210 -0.880 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CC1 1799350012 PKPHZFIJFSKLLF-OCVGTWLNSA-N 449.321 -0.569 50 20 IBGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1800840005 HBTLTCZEQDHYSB-DFGXFYAUSA-N 436.933 -0.101 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccn3cn1)C2 1801011647 UJOULYYFEJZKJS-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1814523988 XBMCBKWNJZXYKZ-WMLDXEAASA-N 439.281 -0.078 50 20 IBGD CN(C)C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402297 ZWQNHQKRGMVZLW-AWEZNQCLSA-N 428.453 -0.198 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1823880594 PCUITYKIUAKMPL-LJQANCHMSA-N 444.341 -0.129 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738090 LPILSPXUOFNNGS-URLQWDBASA-N 427.885 -0.095 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012941 LMBKKMPMIGADNZ-DYVFJYSZSA-N 448.314 -0.074 50 20 IBGD O=C(Cn1cnnn1)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834876747 KDDRFUZXBJYTSB-CQSZACIVSA-N 432.298 -0.065 50 20 IBGD N=C1NCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835632672 FMCOOHPZXGAMFL-INIZCTEOSA-N 432.319 -0.932 50 20 IBGD Cc1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928311 KCEDFACCPFZOSE-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840034527 OITBMWHXARTXCJ-DCGLDWPTSA-N 432.315 -0.153 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc(OCF)cn1)C2 1844263744 PBMHAUSOMKIXEC-UHFFFAOYSA-N 429.412 -0.088 50 20 IBGD O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 11482385 FYXNCUFBQKJZOH-INIZCTEOSA-N 439.380 -0.187 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN(C)C)CC2)cc1 727761651 XEQWENHZKRVALP-UHFFFAOYSA-N 440.522 -0.027 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 731186253 LQOFPPHCUXAIGV-DOMZBBRYSA-N 437.478 -0.298 50 20 IBGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 746781186 QWSZKIUWNXBGDB-LLVKDONJSA-N 449.445 -0.007 50 20 IBGD Cc1ccn(-c2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)n1 765728386 OYLJGBJLZCYJSA-UHFFFAOYSA-N 436.432 -0.611 50 20 IBGD CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639536 QJLBSGGULDWTSZ-AWEZNQCLSA-N 428.449 -0.253 50 20 IBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783423904 BIQGCLGINRQJIS-HNAYVOBHSA-N 438.506 -0.495 50 20 IBGD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 785990441 HCILGJCCDWHJFM-NSHDSACASA-N 439.494 -0.842 50 20 IBGD C[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cncn1 914109740 GEXKOUUOEWLCOD-AWEZNQCLSA-N 436.494 -0.360 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1ccnn1 1782213190 ALBKTGIXMVQUFS-JXXFODFXSA-N 435.529 -0.274 50 20 IBGD CN1CCCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784110852 JMGMNNKQKLIGJS-FFGOWVMKSA-N 429.326 -0.556 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785029195 JNWYFHRJDQDILR-IHRRRGAJSA-N 426.546 -0.631 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2)c1ccc(B(O)O)cc1 1795734173 HGXXZCDTGZAQKD-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(O)c1F)C2)c1ccc(B(O)O)cc1 1795735904 IYZVJYJHPUIJMD-DBWKPXFBSA-N 446.215 -0.133 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cccc(B(O)O)c1 1795739255 XJZBHCOWDKSUTD-YAHCNQDQSA-N 428.298 -0.959 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800263356 UWEWTBZAVXLSRQ-NOHGZBONSA-N 434.287 -0.708 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1801012673 VOZNETNLFUTEFS-OVNJDOEUSA-N 449.552 -0.650 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cnnn1 1813467979 BZBAZXHBXZKHGX-LSBZLQRGSA-N 449.280 -0.671 50 20 IBGD O=C(c1cccn2c(O)nnc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727962 LMTQSNDMRPOZRM-ACJLOTCBSA-N 439.856 -0.895 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737131 CYXDMQOOXQKVNR-APWZRJJASA-N 428.917 -0.364 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836974193 PUPXDZHGAWLVMU-APWZRJJASA-N 426.901 -0.111 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1840151320 YJDGRBXXPXXINY-LPHOPBHVSA-N 428.917 -0.019 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182310 GOHZFVZLCDYQOO-OXQOHEQNSA-N 426.514 -0.593 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1840184971 IIKKILSHCKZTEC-VXXKDZQQSA-N 438.550 -0.309 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)n1 1846385241 HEXXAVTYYYAFGA-UHFFFAOYSA-N 432.525 -0.137 50 20 IBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 728171209 UJYWSSDHKUGUHD-UHFFFAOYSA-N 432.524 -0.305 50 20 IBGD Cn1c(NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)nc2ccccc2c1=O 733263244 QGYDJYKQLBJKGJ-UHFFFAOYSA-N 444.429 -0.368 50 20 IBGD CCNC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760162698 JAADMCNHUHBPHE-SNVBAGLBSA-N 439.416 -0.032 50 20 IBGD Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2F)n1 764233320 UTVFXJQCJQQNJL-NSHDSACASA-N 440.457 -0.348 50 20 IBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 767096883 OGQZDHKZBKASAO-UHFFFAOYSA-N 434.522 -0.196 50 20 IBGD Cn1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(F)(F)F)n1 782817410 MWXRXLVGDXGBSI-UHFFFAOYSA-N 443.346 -0.961 50 20 IBGD COc1ccccc1-n1nccc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 797401418 JNUSAZUKKWNFDW-UHFFFAOYSA-N 436.432 -0.222 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 816873933 QUWLWPVKOZTQSL-ZDUSSCGKSA-N 436.494 -0.245 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc[n+]([O-])c1 863950094 SZDHPKBVABOQBY-UHFFFAOYSA-N 434.474 -0.265 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 920212330 BREZPJCWBJTGOU-GFCCVEGCSA-N 448.523 -0.729 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778103049 POHIAKCLZBWPHA-VQPPSCEASA-N 445.325 -0.639 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037382 YZVGVCSLHXJJDD-JLTOFOAXSA-N 432.481 -0.071 50 20 IBGD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)N1 1780771028 QKDZXPPLXJBFJT-CDGODJOISA-N 449.277 -0.211 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)[C@H]1SC(=N)NC1=O 1784090953 RNYRGSQEFFYASR-RHIYVLOFSA-N 432.930 -0.632 50 20 IBGD C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784491454 DHSINXKHUDLSLA-IHPCNDPISA-N 430.310 -0.058 50 20 IBGD CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791308277 HJUCMVNVFSRHCB-JONQDZQNSA-N 430.571 -0.547 50 20 IBGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cnn2c1 1795738692 ADHMVQSYVRRHQV-HGKCTWBKSA-N 449.276 -0.765 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)no1 1798511374 MMVOPBCKTSSTLD-QDMKHBRRSA-N 434.497 -0.276 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C)[C@@H]1SC(=N)NC1=O 1802332344 ALGAGTRQOZLECO-VBTGVMJWSA-N 438.554 -0.200 50 20 IBGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1805319415 PFOKZEFIWHYVIU-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362057 DJYNFYQHBQSGNU-DNVCBOLYSA-N 435.249 -0.177 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cnnn1 1813468186 DRGTXDRAYJPECQ-DKSSEZFCSA-N 449.280 -0.671 50 20 IBGD CNC(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1815142873 JBYXTYXVUPOTLE-CQSZACIVSA-N 428.453 -0.150 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1)c1cccc(B(O)O)c1 1817473840 CCFWSAQCZOQNFW-INIZCTEOSA-N 441.253 -0.152 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830543269 OMJSASOOYDEMNV-BBRMVZONSA-N 430.303 -0.235 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2nccn12 1830735313 GNZPJSUSFQRYAI-KXBFYZLASA-N 437.884 -0.293 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833475499 QEXMMLABFUOHJV-BBRMVZONSA-N 448.245 -0.154 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712529 DAMVEDYMFHSPDG-OAHLLOKOSA-N 443.932 -0.636 50 20 IBGD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834820365 ZWUSOQUPMCWMSD-SUMWQHHRSA-N 432.315 -0.246 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1)[C@H](F)Cl 1835080401 RIEQNHJQNMCWKP-AWEZNQCLSA-N 428.829 -0.183 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1835940198 YWVYMAYPSNJUAU-FQEVSTJZSA-N 431.229 -0.783 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837396181 AGDAWFKGDPXYIQ-AVRDEDQJSA-N 446.309 -0.991 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1840067113 VNMBHSQCRXPJIX-HXUWFJFHSA-N 446.439 -0.464 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182311 GOHZFVZLCDYQOO-UZLBHIALSA-N 426.514 -0.593 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1840184522 RVLPNKMZYAHDCN-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840263569 JRDVTLKMMRIEOJ-GOEBONIOSA-N 448.245 -0.942 50 20 IBGD C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039215 RVFCVMQBHBQYQZ-INIZCTEOSA-N 430.509 -0.330 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847493806 JIMDQJYXYWHUBW-IHRRRGAJSA-N 436.372 -0.050 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 758049257 YTPSHRPGEMKNMB-GFCCVEGCSA-N 442.519 -0.407 50 20 IBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 761064048 RYKFTWMNTGZMMC-UHFFFAOYSA-N 430.458 -0.021 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cc(-n2cnnn2)ccc1F 763569822 CGQFCLSCTILRIW-OAHLLOKOSA-N 427.352 -0.273 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2)c1=O 764004155 LQMFEVZKAMHSMR-UHFFFAOYSA-N 438.400 -0.258 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCCCN(C)C)cc1 764227426 NZNNNKFBYSXFOS-GFCCVEGCSA-N 429.499 -0.959 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 764325384 MTDUZSKWNBOYFU-KGENOOAVSA-N 425.467 -0.378 50 20 IBGD CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764420405 FWZRJHLKQHGCAQ-KGENOOAVSA-N 425.467 -0.642 50 20 IBGD Cc1cc(C)c(C)c(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765725416 ROGJFMGYTXJPDG-UHFFFAOYSA-N 442.476 -0.025 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2OC2CCC2)n(C)c1=O 766637740 VFDHUGTUXAJUCF-UHFFFAOYSA-N 426.433 -0.174 50 20 IBGD COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 792269789 YQNWEYABRUXSAC-ZCFIWIBFSA-N 427.361 -0.867 50 20 IBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)C(=O)NC(C)C)CC2)c1 919839267 IJVWNWDINRLMQQ-UHFFFAOYSA-N 425.511 -0.881 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1(O)CCC1 1783513669 SJCABJGFQAYSOX-XIVBQZFQSA-N 430.310 -0.489 50 20 IBGD CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1798723706 YJLKPKNMIBIOIB-ZSBFGKGUSA-N 441.492 -0.021 50 20 IBGD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)n1 1819795136 IJRAMXTVRMYDIV-VIFPVBQESA-N 441.477 -0.190 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731278 JYMYDFOERNOLPZ-VQIMIIECSA-N 426.901 -0.111 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(=O)[nH]c1C 1833386293 SZSTUOFOQGDWNP-UGSOOPFHSA-N 428.873 -0.944 50 20 IBGD Cc1nc[nH]c1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798540 IVGYCZWFIWCVFX-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccon3)CC2)CC1)c1cccc(B(O)O)c1 1834801058 LZPLWBNHOGEYPA-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836748907 NRSCUCYOEPYECE-ZWDAVXSWSA-N 430.310 -0.127 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837457737 NYKVKAVRQYQQDN-SUMWQHHRSA-N 429.836 -0.711 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837465970 RXQMDEJLHRUVJK-SFHVURJKSA-N 446.646 -0.222 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cc3c1CCC3)CCO2 1838456291 SFLUNZMXSIIJSE-QFIPXVFZSA-N 447.536 -0.054 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839649286 IVHWYVZRSRZMHH-KBXCAEBGSA-N 428.873 -0.829 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840155535 ADDNAIGKZQKPNS-XJKSGUPXSA-N 426.919 -0.869 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845071008 MYGOTWCZINKVMT-SJLPKXTDSA-N 425.294 -0.416 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745482963 PFDOALYIMBYBBC-KFZJALRRSA-N 426.385 -0.975 50 20 IBGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CCN(c2ncccn2)CC1 749979950 DGTKUOKEKQJWRF-HNNXBMFYSA-N 431.478 -0.430 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1C 763675694 YWKQGSYJTFTVHN-UHFFFAOYSA-N 445.457 -0.060 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 764228318 XPEZHBFGNZLSCX-CHWSQXEVSA-N 442.494 -0.342 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COC/C=C\c2ccccc2)n(C)c1=O 765724548 LWPFBFIKVCPHKX-TWGQIWQCSA-N 426.433 -0.689 50 20 IBGD CC(C)(O)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 768247860 OCJYGIHKXUUHLE-UQTJOTSZSA-N 447.535 -0.702 50 20 IBGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 768571681 QJLSHYYLOFGAJL-FQEVSTJZSA-N 430.465 -0.150 50 20 IBGD CCS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 777831710 HVGFNEJIVWOIPR-UHFFFAOYSA-N 446.389 -0.126 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 785661696 URZCDSBCDOTMGV-QGZVFWFLSA-N 443.460 -0.957 50 20 IBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1C 808069666 DRRWMZAKEFZEHX-UHFFFAOYSA-N 447.433 -0.630 50 20 IBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 815778879 IWRJAWDSSCHJDF-QGZVFWFLSA-N 443.460 -0.235 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816886103 PLTUNAGHVOJHGS-QWHCGFSZSA-N 435.485 -0.496 50 20 IBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc(-n2cnnn2)cc1 914751596 ICZWYMOFTTXYPN-UHFFFAOYSA-N 447.433 -0.649 50 20 IBGD O=C(CCCS(=O)(=O)N1CCCC1)NNC(=O)c1csc(N2CCOCC2)n1 917391943 PAYIRHANVFZOFR-UHFFFAOYSA-N 431.540 -0.054 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc21 1778381249 SDJFQLSKZZYFKM-KBXCAEBGSA-N 425.873 -0.940 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779034029 JDLARTIEBXXAIX-VFNWGFHPSA-N 441.492 -0.105 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984712 ZOUYZNPOHPZVLD-IHPCNDPISA-N 429.326 -0.554 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1cccn1 1786986612 QLAYKZMQDONBTL-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(Cl)ncn1 1789056404 KHTRQWRGHWNEMS-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1F 1794365284 MUBZKBUSKJEKCK-ZSBFGKGUSA-N 437.472 -0.195 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1Cc2ccccc2O1 1797226182 XCVVTCQPLHEOMB-JWWGGVBKSA-N 436.273 -0.427 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@](C)(Cl)CCl)CC1 1799276505 LCAFPTIKMADUNF-LORHWOILSA-N 449.379 -0.024 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801377758 NFSQFTOLXLJTCH-UPHUGPLXSA-N 440.309 -0.837 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C)[C@H]1SC(=N)NC1=O 1802332338 ALGAGTRQOZLECO-GUYIQFIESA-N 438.554 -0.200 50 20 IBGD O=C(CCn1cncn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980645 ZCHNVGFAZRAMIZ-UHFFFAOYSA-N 425.298 -0.107 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827189050 WHAHLCRMOQDTOD-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1833481427 ZBEFSHPEWHQPQO-RDTXWAMCSA-N 431.848 -0.101 50 20 IBGD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1834051126 IFBMULUGMROBNH-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563450 CMWPEIGOIWXYJF-ORAYPTAESA-N 439.900 -0.286 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519142 XHSGIGQVQLJHIA-HNAYVOBHSA-N 442.900 -0.011 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847512291 YBKUYDVMAAZRLX-YESZJQIVSA-N 447.297 -0.933 50 20 IBGD O=C(COC(=O)[C@@H]1CCCN1c1ncccn1)NNC(=O)[C@@H]1COc2ccccc2O1 728323630 OUQZCFZCQDAAEX-BBRMVZONSA-N 427.417 -0.024 50 20 IBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 731687028 VNMDDMKBNLKWOG-INIZCTEOSA-N 426.495 -0.334 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2cc(O)c(O)c(Br)c2)c(=O)n(C)c1=O 757566482 VYUHUHLPAJPCDU-UHFFFAOYSA-N 444.267 -0.105 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 757776368 DWNZNQSEVCMQID-SNVBAGLBSA-N 426.455 -0.245 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 764225702 CJKVQNVBNSPCGR-NSHDSACASA-N 434.478 -0.227 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(S(C)(=O)=O)cc1 764812710 PHDRFSWUDHMZSK-UHFFFAOYSA-N 432.462 -0.622 50 20 IBGD C[C@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 765313418 MFUSOIUUKATVMA-URFZWBKFSA-N 438.481 -0.010 50 20 IBGD O=C(NNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1)N[C@@H]1CCS(=O)(=O)C1 767733245 PVLMCCOIZULLTQ-ZCFIWIBFSA-N 429.835 -0.143 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCc3c(Cl)cccc32)n(C)c1=O 775780519 NEAGAWMNFVCFHL-LBPRGKRZSA-N 430.852 -0.036 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C(=O)N(C)C)cc1 793024567 JBQJRHSPMYHPDR-UHFFFAOYSA-N 425.449 -0.324 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)cc1Cl 795305003 ZPQAXYFTVZZTOR-SSDOTTSWSA-N 443.862 -0.055 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccn1 806974211 ZNUXAHUWVHOCRZ-UHFFFAOYSA-N 435.462 -0.195 50 20 IBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914839305 GSNXOPHPPOLHMM-GFCCVEGCSA-N 432.524 -0.605 50 20 IBGD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 915242300 PRMINQBJKGRAAA-CQSZACIVSA-N 438.418 -0.933 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035716 MFDOVKALIDYAMS-DYESRHJHSA-N 446.508 -0.567 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1782914528 NCNPINYDNCIXEI-HXUWFJFHSA-N 430.266 -0.847 50 20 IBGD Cc1nnc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1783933162 CTGZOJQGNGLGJA-IBGZPJMESA-N 438.554 -0.018 50 20 IBGD CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791291029 IYMYXIKVNIVIAI-JYJNAYRXSA-N 435.529 -0.175 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2)c1ccc(B(O)O)cc1 1795732819 LIQWEYVGOWABRG-VPTLXERWSA-N 449.276 -0.986 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741048 XPDRHIXHQAFZIP-HNJRGHQBSA-N 429.326 -0.558 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796083137 QJOBGXQADKHESF-ARXWPJIVSA-N 431.497 -0.649 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1799274698 FZPBHVHUQGXERZ-ZYYNGRNUSA-N 443.291 -0.143 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1cccc1C=O 1801013429 WBWVEVSGEVOTQM-MFCZKXCZSA-N 433.509 -0.176 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016882 ARZQYCVMIYWQSK-KQXIARHKSA-N 430.292 -0.012 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803666802 ZLVZDCNKCOHFDJ-CFLQYTFWSA-N 438.293 -0.408 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347628 GWPZPHBRWFSZPY-HLPPOEQASA-N 437.884 -0.061 50 20 IBGD CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833311715 AXXXUCIVSMBJSX-OAHLLOKOSA-N 434.006 -0.358 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)no1 1837547377 BUWYNKAWFYBMIX-PBHICJAKSA-N 432.836 -0.296 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837709066 UNOWIJIFYXRZMQ-GOSISDBHSA-N 429.546 -0.254 50 20 IBGD Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838203438 SBGJMLJWHKZRRL-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 725873756 PXNPNNNEMDIFKE-UHFFFAOYSA-N 439.519 -0.072 50 20 IBGD COc1ccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 727499212 IUMQFFDOGYYTLV-UHFFFAOYSA-N 435.441 -0.401 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 728178452 HZGBIBHIRBZNSQ-CQSZACIVSA-N 448.567 -0.629 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1 728337955 CBCLBGJSBKCTDR-LLVKDONJSA-N 441.443 -0.460 50 20 IBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 746163570 PDGUMEQGYJCWJV-ZNMIVQPWSA-N 440.478 -0.724 50 20 IBGD CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 747843489 BEJIASAWDWOQOA-UHFFFAOYSA-N 437.522 -0.308 50 20 IBGD Cc1cc2c(cc1NC(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)OCO2 757979995 ZLHKTWVWAAFWRB-UHFFFAOYSA-N 429.393 -0.676 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 763682081 QUERGUIKUYLPAR-UHFFFAOYSA-N 436.428 -0.341 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1NS(C)(=O)=O 763881983 RUCCINXBMBBLQG-UHFFFAOYSA-N 438.466 -0.334 50 20 IBGD CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)CC1 764203989 NKXUSKBZPBXOOQ-UHFFFAOYSA-N 425.511 -0.245 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 767096687 LZZWWPVCTJQBBR-UHFFFAOYSA-N 448.549 -0.267 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 771916267 YYRPXQKVCAIREZ-GFCCVEGCSA-N 440.478 -0.419 50 20 IBGD CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 773263822 DSSNEISHUCXACY-LBPRGKRZSA-N 425.442 -0.024 50 20 IBGD CN1CCN(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 773660619 ZWZLATSNGWPHHT-UHFFFAOYSA-N 429.474 -0.552 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3snnc3C)CC2)cc1 788000841 JXWQTOCYURYDIY-UHFFFAOYSA-N 438.535 -0.078 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCOCC1 789856424 GLVMGYYNJLUCQG-UHFFFAOYSA-N 440.478 -0.901 50 20 IBGD CCn1nncc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 814784641 PWJXZDULVWNDNR-UHFFFAOYSA-N 436.494 -0.287 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 817053220 JCAGENYQSHQZHR-UHFFFAOYSA-N 435.466 -0.312 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCC(=O)N1CCN(C)CC1 916433186 FSKPJCGGEVCBHU-UHFFFAOYSA-N 439.542 -0.604 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CO[C@H]3CCOC3)CC2)cc1 1116302507 WRCAMDBKJRNVFR-INIZCTEOSA-N 440.522 -0.746 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777713990 LEGIFJBYKFDYBD-NRFANRHFSA-N 436.233 -0.340 50 20 IBGD CN(C)c1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1779029271 UXUNLSMHRADLSM-FQEVSTJZSA-N 443.464 -0.504 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1779032610 OEJFECMZMZCFAV-IBGZPJMESA-N 445.867 -0.114 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1783934552 HLUUCXALFSHDOL-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)CC2)CC1 1784092059 FAULVYGGQPNXES-QAETUUGQSA-N 428.961 -0.654 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1791545348 VASIJMOBFGGOQE-SLZITWOASA-N 429.880 -0.029 50 20 IBGD O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)NCc1ccco1 1792981062 PNQDQGVXPCIMLD-WAPRGRGRSA-N 425.869 -0.359 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1ccnc1 1793144829 ZUFIAJGEQHSKBV-VWPFQQQWSA-N 427.465 -0.654 50 20 IBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)(C)C 1793195447 YVMYIYOODHHFFM-UKBAYJJMSA-N 445.325 -0.880 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793430403 KYYDYRAYVNMDSQ-OHLKMNRISA-N 432.481 -0.779 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCc2nc[nH]c2C1 1801267278 UGYABIFGYSWXDT-MFCZKXCZSA-N 438.293 -0.902 50 20 IBGD COCCOCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806756607 PMWSKAQGLUOCTC-NQIIRXRSSA-N 441.293 -0.256 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(O)n[nH]1 1807282410 BQLMKKVNWXKCKS-DNVCBOLYSA-N 435.249 -0.177 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(CO)on1)CC2)c1ccc(B(O)O)cc1 1815343583 BECHOTWILGLCQN-LBPRGKRZSA-N 442.262 -0.157 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1823879928 DFOQKHQCLUCMGX-IBGZPJMESA-N 444.341 -0.129 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)no3)CC2)CC1 1835978146 ZKIMCNRAYMHTKY-UHFFFAOYSA-N 436.513 -0.062 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1837456953 QPNLAJMLXYXULF-HXUWFJFHSA-N 429.433 -0.338 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237930 KMFXDRKVXCWFLX-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839696888 WRNXMNWWYAKMJJ-OOSNJVJTSA-N 444.318 -0.689 50 20 IBGD COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1845245013 QGRDXNQKKFUECT-MRXNPFEDSA-N 436.933 -0.124 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)Cc2cccnc2)c1 730025709 NVYSOYJABVMMKO-GFCCVEGCSA-N 434.478 -0.110 50 20 IBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCCN1C(=O)CNC1=O 731117873 LDUVQRBBHOYPJZ-UHFFFAOYSA-N 431.497 -0.529 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1COCCO1 744646343 CLHULVXMSCSLPQ-HUUCEWRRSA-N 442.450 -0.299 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746393376 QRKKKQMETKTWBG-OAHLLOKOSA-N 438.506 -0.968 50 20 IBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)c1ccc2c(c1)OCCO2 750289880 YGQOTRVPKJREKX-UHFFFAOYSA-N 425.423 -0.491 50 20 IBGD COc1ccc(SCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765725865 TWVCVTFHFMLBMD-UHFFFAOYSA-N 446.489 -0.228 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cc(C)cnc2N)cc1 773227598 YJRLIQKPIYXUJW-UHFFFAOYSA-N 427.508 -0.089 50 20 IBGD COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)NNC(=O)c1ccc(OC)c(OC)c1 780350670 QKBMDGSTZJIBLZ-KGLIPLIRSA-N 437.449 -0.109 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 794063299 KNMZENATEAUEMN-BQGCOEIASA-N 430.417 -0.777 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 918210482 ZCKTVCQXHZRPIS-ZDUSSCGKSA-N 438.487 -0.500 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1778359390 USMIWEILSBYWDD-RDTXWAMCSA-N 445.358 -0.236 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790174370 ZOXYOMNGKLOZPF-CXOVXGEYSA-N 435.905 -0.591 50 20 IBGD CC(=O)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791220888 PQVMRUDJFXALNN-GLFJAGTFSA-N 431.493 -0.106 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1791288743 RYMLPPAQTHTEIZ-BPUTZDHNSA-N 446.508 -0.853 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nn1)C2 1797751571 IEKHJEQDTBZSJJ-CULMDFNYSA-N 445.867 -0.355 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374353 HCTHIAXESCXYGL-YJBOKZPZSA-N 435.249 -0.177 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813070398 GTOPGAPTBLRFAU-TWOQFEAHSA-N 430.509 -0.261 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359802 GOHVEQBPKGDVIE-HZMBPMFUSA-N 430.295 -0.427 50 20 IBGD O=C(c1ccccc1-n1nccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734006 YOCYTKVPYSGPQP-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1833105138 UMPFNYMVRBFUMK-HVPBSWBLSA-N 445.520 -0.076 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833984263 SJAXAUPFRIYWCP-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924097 NLOQTFYKARWABG-KPZWWZAWSA-N 438.872 -0.495 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1835926547 RBPVUXFJJOXOLM-VGSWGCGISA-N 428.294 -0.207 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461532 YBRPLHXWUMIBHT-LHSJRXKWSA-N 447.492 -0.630 50 20 IBGD Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1838204706 ZKNKCISVSYESQI-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840151904 QVHRXUWPSYCRNS-FZKQIMNGSA-N 429.857 -0.183 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840480061 MMXZTVNKHZIPTO-YWPYICTPSA-N 431.291 -0.526 50 20 IBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)N1 1843365984 VFNXALMSQBZMKR-DMDPSCGWSA-N 432.905 -0.096 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1)NC(=O)NCc1ccccc1 1845999259 TZAWXPJMDJOASA-QGZVFWFLSA-N 442.520 -0.328 50 20 IBGD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)NC(=O)NCc1ccccc1 1847762868 IKASFYFFUHJVGL-IRXDYDNUSA-N 430.509 -0.330 50 20 IBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)NCC(F)(F)F)cnc21 727178371 WAAAQYILDCNVJN-UHFFFAOYSA-N 426.153 -0.215 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3ccncc3)cc2)CC1 728213757 IQLQBBUEUQGHRP-UHFFFAOYSA-N 432.506 -0.109 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 729299568 JYXMDUBJJMWETR-MRXNPFEDSA-N 442.520 -0.073 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 741175787 NRJSQMMMHYLBGC-GFCCVEGCSA-N 446.503 -0.406 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 744439798 LCVSOWBYWHIGAK-UHFFFAOYSA-N 426.495 -0.688 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cc3nc4ncccn4n3)cc2)CC1 748621259 ZBVDFFXMXMPBGJ-UHFFFAOYSA-N 430.494 -0.254 50 20 IBGD CN(NC(=O)Cn1ncn2nccc2c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758782784 YPQSIOKZAPLGMN-UHFFFAOYSA-N 434.457 -0.473 50 20 IBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 763570907 GWLRLCKBJMUTSM-IRXDYDNUSA-N 441.396 -0.059 50 20 IBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764152476 DRVFWZLVWAEPDN-MRXNPFEDSA-N 432.458 -0.007 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccccc2OC(F)F)n(C)c1=O 765725356 RBWCIISJNJSJBZ-UHFFFAOYSA-N 436.375 -0.575 50 20 IBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c2ccccc2O1 784001854 FHNUGDSYTKGONN-CQSZACIVSA-N 430.373 -0.876 50 20 IBGD CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 788167092 UKTXGJFGLDZKLW-HNNXBMFYSA-N 425.511 -0.254 50 20 IBGD C[C@@H](Oc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1)C(=O)O 794919901 AAJFFXJMNVMXQS-LLVKDONJSA-N 428.405 -0.564 50 20 IBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033523 XOCBDZBHYYEUDY-UHFFFAOYSA-N 438.466 -0.071 50 20 IBGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1319732110 FDYGWKCBTSQFTK-UHFFFAOYSA-N 446.555 -0.262 50 20 IBGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1777982142 VPUKVEFWIAFIOH-BXTJHSDWSA-N 440.545 -0.680 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1779037334 WGBQZISNQCLJAB-NRFANRHFSA-N 441.444 -0.146 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](Cl)COC)C2 1779559271 CEDPRQKSMSXEOC-YYAJDYIMSA-N 433.933 -0.095 50 20 IBGD Cn1ncc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1779862600 SKPXECLKTRGDLS-LJQANCHMSA-N 432.673 -0.489 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)on1 1785090722 BYFSHGUDXNCVSJ-KKXDTOCCSA-N 442.476 -0.182 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788573258 NUDOSCVGCLPEIN-DSLXNQLJSA-N 430.310 -0.467 50 20 IBGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cn2[nH]cnc(=O)c12 1789172729 LALOWEOBECLWLH-MXAVVETBSA-N 437.884 -0.476 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1800640110 KCNFQQJWXRPPNC-FBKDDSFISA-N 431.287 -0.699 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371661 WZHHHZBNFYCVMP-QFBILLFUSA-N 434.265 -0.179 50 20 IBGD O=C(Cn1ccnn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354506 GBNPFZMMHPHTKU-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196278 YHPSTRAPHODKOI-GOSISDBHSA-N 426.286 -0.714 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1834125870 XUHJULDYYSQAQP-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835252444 NNLCRUIACMWFGR-CQSZACIVSA-N 427.317 -0.728 50 20 IBGD Cc1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935246 JZVSIDDEDAFZGR-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840036068 DGNQKGYYOJGMEW-OGHNNQOOSA-N 432.315 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1840182737 RPLASVGRHWNGOD-YLJYHZDGSA-N 428.530 -0.777 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1846385816 ZQTHFKKVULMNGY-HNNXBMFYSA-N 427.502 -0.594 50 20 IBGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 749353930 CWVMBRCLOOFCGV-CJNGLKHVSA-N 439.469 -0.128 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 756495439 RESDHXQIANWGMG-AAEUAGOBSA-N 448.523 -0.270 50 20 IBGD COC(=O)C[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 758369699 ISNZZSKNINLAGP-AWEZNQCLSA-N 441.506 -0.013 50 20 IBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccc21 763802296 ACLZSFBUWYSUJO-UHFFFAOYSA-N 442.388 -0.050 50 20 IBGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763920377 IFYQECKTBLTIJZ-UHFFFAOYSA-N 439.388 -0.143 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 764225995 DJYMWQAPWUBPCX-ZETCQYMHSA-N 427.361 -0.954 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CN1CCCC1=O 789857489 VCWFZDDDWRSIHI-CQSZACIVSA-N 428.536 -0.144 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 792023997 XYJCHJTXYXGQFF-LJQANCHMSA-N 435.506 -0.030 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)C[C@@H](C)O1 912918881 FYNXKDKNXNBUDM-VXGBXAGGSA-N 434.465 -0.110 50 20 IBGD COc1nc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779740828 OHXZQKKLMYUVDJ-JOCHJYFZSA-N 439.277 -0.164 50 20 IBGD O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781492645 AMBFTMZRUPABGK-SNUQEOBHSA-N 428.873 -0.325 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782566774 FMHPOUYFMDEPDV-OXQOHEQNSA-N 435.529 -0.445 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)nc1 1785706752 MWMYZTSVWYMBEB-MZGVZZPPSA-N 445.925 -0.322 50 20 IBGD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610486 AYPQBINIRVBSGC-PXZKYJSBSA-N 432.525 -0.348 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1788611049 IYYUIFSGAYXOPQ-OOWFEVOQSA-N 429.477 -0.829 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446430 RTRRICUCWQEHRV-PNBKFKSVSA-N 431.375 -0.003 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795840030 UDTGWQHMMODKBB-ZSBFGKGUSA-N 436.538 -0.469 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800263355 UWEWTBZAVXLSRQ-LSCVPOLPSA-N 434.287 -0.708 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)[nH]n1 1819403989 RBAXUUVCYZDPKH-XHDPSFHLSA-N 440.464 -0.150 50 20 IBGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1cccs1 1830726874 UYUTWLGVSZKPLL-UGSOOPFHSA-N 445.925 -0.466 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830728206 QNGDPSOKPGOKHA-AHIWAGSCSA-N 432.930 0.000 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924101 NLOQTFYKARWABG-SGTLLEGYSA-N 438.872 -0.495 50 20 IBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 735468585 OHSMYGGGHUJDKX-ZFWWWQNUSA-N 427.502 -0.146 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 756751379 QAOBVPIQNGOZEF-JTQLQIEISA-N 443.869 -0.255 50 20 IBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 756803208 XYEWNQUDVZALSH-UHFFFAOYSA-N 437.482 -0.312 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 764230687 JLWZEUJYOIVIIY-CMPLNLGQSA-N 446.457 -0.593 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c(F)cc(Br)cc1F 764234689 ZENIIFKAEHNOOR-YFKPBYRVSA-N 443.226 -0.249 50 20 IBGD CCN(C)S(=O)(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765119520 YAMIVWNXWLIRNY-UHFFFAOYSA-N 433.556 -0.881 50 20 IBGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 777619912 AEEDTAOMUWCUAS-UHFFFAOYSA-N 430.464 -0.683 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CC1 803935770 KGSHVLYAQRNBAD-UHFFFAOYSA-N 432.886 -0.180 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC3(O)CCOCC3)nc2)CC1 807447995 DAIMAEIIZQTZAR-UHFFFAOYSA-N 442.542 -0.425 50 20 IBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 917528491 DXLAFPZRKYOJNT-UHFFFAOYSA-N 433.508 -0.708 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786675031 RBISDJZYTMNTNI-RRNDHEJESA-N 444.492 -0.621 50 20 IBGD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610481 AYPQBINIRVBSGC-FGPFUNDFSA-N 432.525 -0.348 50 20 IBGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791220890 PQVMRUDJFXALNN-ZUXXIDCJSA-N 431.493 -0.106 50 20 IBGD Cc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793991728 WZXJUIQYGTZGKU-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncsc3[nH]1)C2)c1ccc(B(O)O)cc1 1795734191 HWEPYQVTTNDSNW-FVCICTRLSA-N 440.290 -0.179 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)cn1 1798064682 UWQMXEWIUYSSIK-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807364239 STLKNCIPYUQSTO-AEFFLSMTSA-N 434.265 -0.477 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370691 IUKFADSAYMWWLS-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccnnc1O 1811226172 XZXSFLREHSADNL-QFBILLFUSA-N 447.260 -0.110 50 20 IBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812389377 ZPMKSYYQPAUKAS-GZBFAFLISA-N 426.857 -0.770 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1813034459 MISHRXSBHJRTJX-JENIJYKNSA-N 442.944 -0.372 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817299326 SSVNSGLCRPAKEX-NHYWBVRUSA-N 444.322 -0.085 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826716228 YESVVIASLTVOTL-NRFANRHFSA-N 443.353 -0.068 50 20 IBGD CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830058378 XPNCVLVZANTFMN-HXUWFJFHSA-N 430.465 -0.695 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830724877 IZWXDDTYLZOGOP-LPHOPBHVSA-N 426.901 -0.183 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733425 LVKHQIBNTUTBQY-KXBFYZLASA-N 425.869 -0.545 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1831646501 MCSZAVCUITUQFH-CZUORRHYSA-N 441.849 -0.425 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832341241 QEKVKSQQMJXLQL-DENIHFKCSA-N 446.309 -0.604 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832491109 GISKXWLXQKLIEF-ZTQAJYAQSA-N 440.880 -0.118 50 20 IBGD Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834314423 CQJNUCLFLSKMOO-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840033006 QIPGVUYGOACTSV-QLJPJBMISA-N 445.270 -0.259 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845438601 IHHJPOCWYCWKHF-HNNXBMFYSA-N 448.480 -0.655 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275954 TXJJFQBYDBMAHF-ZDUSSCGKSA-N 446.551 -0.132 50 20 IBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756834632 HRYBDMSNIXFSKM-UHFFFAOYSA-N 447.408 -0.118 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 759523058 CVKKFEQDYJUVIS-BHWMQLMCSA-N 432.458 -0.508 50 20 IBGD CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(N)(=O)=O 763575442 VIFAEOQICLSCIH-HNNXBMFYSA-N 448.457 -0.178 50 20 IBGD CC1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 764229554 BDDLPJIYXMHKNT-AWEZNQCLSA-N 439.538 -0.058 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cn2)CCN1 764363278 MTWDQZPFQGXZIP-UHFFFAOYSA-N 426.433 -0.680 50 20 IBGD Cc1ccc(Br)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731000 QJJWIKANAXFSFT-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD C[C@H]1C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CC(=O)N1C(=O)OC(C)(C)C 766434756 RHOIYZBHIXGPKI-VIFPVBQESA-N 440.482 -0.401 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 768938587 NWNLUDCNIIGLFO-UHFFFAOYSA-N 434.434 -0.722 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1 770436451 VMESVXPNPBHRCF-ZBFHGGJFSA-N 427.527 -0.335 50 20 IBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1OC 790053142 LGYVKMSZGZJTJS-ZETCQYMHSA-N 443.887 -0.618 50 20 IBGD Cc1nnc(COCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 806872169 FNPGUDGVHUFVDE-UHFFFAOYSA-N 441.539 -0.162 50 20 IBGD O=C(NNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccc(-n2cnnn2)cc1 808187568 HXFQCFCIGOYQTP-CYBMUJFWSA-N 448.509 -0.190 50 20 IBGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nnn1-c1ccn(C)n1 814363888 RDSIMFFAZIEPOK-UHFFFAOYSA-N 432.466 -0.366 50 20 IBGD C[C@@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116176939 NQCHXSCLANVSOH-BPKBQXTESA-N 442.476 -0.609 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037384 YZVGVCSLHXJJDD-VLIAUNLRSA-N 432.481 -0.071 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783934295 DBZJGYDHYCTBSJ-UYAOXDASSA-N 426.514 -0.223 50 20 IBGD Cc1nc(N)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786916663 XMRGQWXZDVAICZ-BPUTZDHNSA-N 444.322 -0.379 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1 1792541371 UGUFCRMRHYTDDP-GWGBFROSSA-N 430.509 -0.194 50 20 IBGD C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795513411 KAGFETREOGRWRR-BOLBYERCSA-N 446.552 -0.483 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1829769492 VXCBDQXRTSFIHM-NSWPXQNRSA-N 448.289 -0.008 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1830535921 VZNYPEQXQZORCI-AHIWAGSCSA-N 434.331 -0.015 50 20 IBGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1 1830732034 PKUSKFZUAQTVJT-RDTXWAMCSA-N 428.873 -0.455 50 20 IBGD O=C1Cc2cccc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c2N1 1830734932 AWLHCZZWICHERU-QRWLVFNGSA-N 437.880 -0.149 50 20 IBGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CCC1=O 1832380167 JQEVYNZPGBISBA-XJKSGUPXSA-N 449.277 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnn(C)c3)CC2)CC1 1834192884 LSEXDTFTPFMVRK-UHFFFAOYSA-N 433.557 -0.022 50 20 IBGD O=C(Cc1ccsc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836097122 VEOHOHFNNWRNBD-NRFANRHFSA-N 444.318 -0.259 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235425 UTLZJQYWIVRZKB-BBRMVZONSA-N 430.303 -0.235 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839963470 LEZIOOONZMAPFZ-SUMWQHHRSA-N 446.346 -0.544 50 20 IBGD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cnn1C 1840183781 ZSEADJSOERTSSP-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1845245012 QGRDXNQKKFUECT-INIZCTEOSA-N 436.933 -0.124 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@H](N)C(N)=O 1848099651 REIFWBPVIHHXSN-XUXIUFHCSA-N 445.948 -0.087 50 20 IBGD O=C(NNC(=O)c1cc(I)ccc1-n1cnnn1)c1cnn[nH]1 729457905 SYTMWDPJZUVYSB-UHFFFAOYSA-N 425.150 -0.540 50 20 IBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731809207 QUJBFYFHIPGZOM-AWEZNQCLSA-N 426.414 -0.138 50 20 IBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)[C@@H]1COc2ccccc2O1 750288945 NIYUFOOUMRXHLB-AWEZNQCLSA-N 425.423 -0.736 50 20 IBGD COCCCNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 761789683 IICNAGCUAINNPO-UHFFFAOYSA-N 433.556 -0.466 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c2ccccc2O1 763839236 GZVRWZKFLRUHSB-MRXNPFEDSA-N 430.392 -0.108 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 764006338 PBQXJLBLKOUVPO-UHFFFAOYSA-N 434.430 -0.234 50 20 IBGD C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638046 WXXHSQOSWHNKFB-ODXCJYRJSA-N 428.449 -0.864 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810970106 FHWXTYMQLBJPJS-UHFFFAOYSA-N 425.467 -0.101 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 915056478 ISQREQUCEOZYGY-LBPRGKRZSA-N 425.467 -0.288 50 20 IBGD O=C(NCCCn1nc2n(c1=O)CCCC2)NNC(=O)c1ccc(-n2cnnn2)cc1 916649810 IWPYNHNFACRCQQ-UHFFFAOYSA-N 426.441 -0.609 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032577 UTLDKKLLXKCDCF-JLTOFOAXSA-N 442.480 -0.944 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779223810 YHRCZRRMXMZGQR-XOBRGWDASA-N 442.480 -0.944 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779371167 KKBLXLVRKGSJAF-QMTMVMCOSA-N 439.900 -0.588 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782790117 XGRSYROZHXYRPK-FZKQIMNGSA-N 442.856 -0.160 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1783967361 GIHBWLJVZMIHJZ-PEDHHIEDSA-N 433.347 -0.410 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C[C@@H]21)c1ccc(B(O)O)cc1 1786983945 XBJDHEYRBSNLFM-ZKFKSPHGSA-N 428.319 -0.165 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1788764103 LIWKCOIGWOOGOH-YDHLFZDLSA-N 448.556 -0.138 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nc3)[C@H]2C1 1789298824 WQUGPFGSLLOHAC-JQFCIGGWSA-N 440.460 -0.307 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1796445564 DPHGKNCSBQSUSS-FJABVQHVSA-N 442.480 -0.608 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnsc1C1CC1 1796645065 QBQWARLKZWYWCB-YWVIFJGQSA-N 436.538 -0.008 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1801011158 JJKFWTDQEBARAZ-ZSBFGKGUSA-N 429.481 -0.695 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344254 QDHFKKUFHRPHHZ-RISCZKNCSA-N 442.306 -0.261 50 20 IBGD O=C(CN1CCCC1=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354593 KWRZSGRXMYETBE-AWEZNQCLSA-N 442.306 -0.329 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830404839 UPMCFWZLBNFOOK-CDXDBMBRSA-N 437.399 -0.361 50 20 IBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nc1 1833644191 HHTUZPREVDWZSK-LPHOPBHVSA-N 426.901 -0.183 50 20 IBGD Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C 1835927861 YXOPSKRDUMKZJV-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932036 LFYSTCLLKMDSHV-BTYIYWSLSA-N 432.282 -0.948 50 20 IBGD C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1837455666 CPLUMBKWIMWQFU-OAQYLSRUSA-N 429.477 -0.279 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839142839 CEGPBWDWLOCVCW-DJJJIMSYSA-N 439.900 -0.286 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cnnn1 1839203396 JZDNRMDAEPFOBE-JTNHKYCSSA-N 435.254 -0.619 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840088157 OMIANGFKDUNGFL-BIENJYKASA-N 449.932 -0.044 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1843416989 LOPXJTBJEJRJEM-NWGMWSOJSA-N 435.506 -0.099 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 9930775 YOWKVPITCPRTAO-QWHCGFSZSA-N 435.458 -0.343 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCc3nc(C)nn3C2)cc1 727229011 KYFHUMGJYOECCZ-AWEZNQCLSA-N 435.510 -0.139 50 20 IBGD O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308067 STOZMMXLQILOTN-CQSZACIVSA-N 425.488 -0.300 50 20 IBGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)c1nn(-c2ccccc2)cc1O 746326693 TZDFOGZTVDJUDK-UHFFFAOYSA-N 445.461 -0.105 50 20 IBGD Cc1c(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cnc2c1c(=O)n(C)c(=O)n2C 747727224 JZQKLCJTIGNJEI-UHFFFAOYSA-N 435.444 -0.169 50 20 IBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)N2CCCC2)cc1OC 748246573 CYJDSHAZMILAKJ-UHFFFAOYSA-N 428.467 -0.858 50 20 IBGD CN(C)C(=O)CN1C(=O)C(=NNC(=O)C(=O)NC2CC2)c2cc(Br)ccc21 750933336 CYUBUYZHEVQKFY-UHFFFAOYSA-N 436.266 -0.017 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1S(N)(=O)=O 763572707 NWTIYGCWVKQMRF-AWEZNQCLSA-N 434.430 -0.432 50 20 IBGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCc2ccco2)cc1 764177997 XLADKGOOGNELLH-UHFFFAOYSA-N 438.462 -0.077 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1ccccc1Cl 764227336 NLBYUSUVJNDTLD-SNVBAGLBSA-N 442.885 -0.142 50 20 IBGD C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)C1 764227705 QSHMAJRTERAUGT-KBPBESRZSA-N 439.538 -0.058 50 20 IBGD COC(=O)CCN(C)S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788915874 FNIFJJGDJNPENV-UHFFFAOYSA-N 437.519 -0.165 50 20 IBGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1779028153 FSJDCZBYLVELEJ-HXUWFJFHSA-N 443.464 -0.816 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783337160 ZKTDEOSGXLAGDB-REWPJTCUSA-N 438.289 -0.587 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cn1)C2)c1cccc(B(O)O)c1 1795740217 GBHFRALUDMUIFO-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD O=C(CNC(=O)c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189256 QNECJLQSZSVUIQ-BJWYYQGGSA-N 425.250 -0.359 50 20 IBGD CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796444157 YOBHJZSJDAVPOG-QRUVTEGNSA-N 432.481 -0.764 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803671868 NQFMNOAIXXAZHT-IIMJZQEZSA-N 432.525 -0.028 50 20 IBGD COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813267984 DZWHNNKYIKZTLP-KXBFYZLASA-N 434.497 -0.184 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831340154 BMHLQSRFUUCFLG-JSGCOSHPSA-N 445.307 -0.432 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901730 QIAGAEWNOBSVBZ-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD Cc1nscc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833743604 SACUABBQNQRGPM-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1837942308 ZJWVZYRKNAEEMB-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201675 FNQNHZFIYLUYHY-GHJWDPDVSA-N 436.278 -0.246 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839641422 HOOICZRWEJNATA-YCRPNKLZSA-N 448.524 -0.905 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1840182685 PRLLKTBLDSWPGW-YHCZKZFASA-N 445.520 -0.076 50 20 IBGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350673 RBBXAGKAHIGTCY-HNNXBMFYSA-N 448.911 -0.017 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 732958050 XYSPYZDSPMJESJ-CQSZACIVSA-N 439.450 -0.482 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2(CS(C)(=O)=O)CC2)c1 753026313 UOOAFTLYFSGNMR-UHFFFAOYSA-N 432.524 -0.294 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)co1 755936742 KVMRTJRMMXHMBV-UHFFFAOYSA-N 444.491 -0.035 50 20 IBGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)C(=O)NC3CC3)ccc21 761138829 UFYGGMRURXPVSI-UHFFFAOYSA-N 431.453 -0.618 50 20 IBGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c(OC)c1 761273003 QVIPPNUKOIKUJY-ZDUSSCGKSA-N 437.496 -0.428 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c(F)cccc1Br 764225639 BOKQHVQIAVFHBZ-LURJTMIESA-N 425.236 -0.388 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 764299723 HKBGWTNLROYJKN-UHFFFAOYSA-N 435.174 -0.190 50 20 IBGD COC(=O)Nc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765726919 HNPVWPZHMAUEAA-UHFFFAOYSA-N 429.393 -0.927 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)n(C)c1=O 766646096 WSINSBXKUKEIFT-UHFFFAOYSA-N 428.302 -0.549 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 769147637 QKAVZQJFDKSJMZ-OLZOCXBDSA-N 434.515 -0.080 50 20 IBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 772897831 MVCYHOBVELBYBJ-UHFFFAOYSA-N 437.865 -0.399 50 20 IBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)O 790383773 LCWUHYNNOLSQKG-SSDOTTSWSA-N 426.856 -0.209 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 798337582 VHVYJDIEOYLGIS-UHFFFAOYSA-N 426.314 -0.226 50 20 IBGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)c(OC)c1 807577654 XFICBOBKBKVUHP-OAHLLOKOSA-N 433.465 -0.243 50 20 IBGD O=C(CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1)NNC(=O)c1ccccc1Cl 809988969 UZARJXFOGGIUJU-UHFFFAOYSA-N 426.886 -0.169 50 20 IBGD COc1ccc(-n2cnnc2SCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 818950146 PWEFPDBMIWVJBO-LLVKDONJSA-N 425.492 -0.050 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779531123 YTGZZEPPQLKRCB-QXATTWAWSA-N 443.309 -0.815 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779614451 ILBQRZVPPKZOOY-LJQANCHMSA-N 434.208 -0.285 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783934378 FYVGGEXPSMJNPZ-LJQANCHMSA-N 425.486 -0.968 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21)[C@@H](O)CCl 1784091055 IOPDVMVFKZZAMR-IMIFBBOLSA-N 440.909 -0.051 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nn1C 1784240381 MFKGWAFUTYWTHF-VDGAXYAQSA-N 440.309 -0.756 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1792872441 IEAGEOVKGUNROY-WISYIIOYSA-N 440.298 -0.190 50 20 IBGD O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797741043 ULYHRUXYIPGKGN-YAHCNQDQSA-N 428.298 -0.959 50 20 IBGD CCn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1C 1798230797 PYRDVJMUFCVRSN-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830533060 DNCXYHQTICPJPB-SUMWQHHRSA-N 448.314 -0.074 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215447 NQZGYBLUJNMWBX-OLCUMFGGSA-N 441.488 -0.010 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833651669 RUSVPXJIQLCZKV-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397518 PJNIKCTUKAKDBQ-WMLDXEAASA-N 434.331 -0.442 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837413165 QLCLWGNGRPRBMS-DYESRHJHSA-N 445.476 -0.552 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840129511 XFOWRRVSZQBTGI-BTYIYWSLSA-N 432.282 -0.948 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840593993 AYUPYRCBQLARSY-NRFANRHFSA-N 447.492 -0.940 50 20 IBGD CCc1cc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)nc(-c2ccccn2)n1 734356641 IFTYKXOIAYYROB-UHFFFAOYSA-N 435.448 -0.009 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 749186796 QFSXPNRACGDAQL-UHFFFAOYSA-N 426.433 -0.178 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 756706429 QNSUNHIRXLOXKH-SNVBAGLBSA-N 444.495 -0.634 50 20 IBGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763842044 AFEARAGFNIALOZ-UHFFFAOYSA-N 431.380 -0.794 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 764401290 VHUKJPWAAVRUOO-GFCCVEGCSA-N 442.494 -0.427 50 20 IBGD Cc1cc2c(cc1C)O[C@@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 765724985 MZRVAVADRJCMIE-CQSZACIVSA-N 426.433 -0.798 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2nc3ccccc3s2)n(C)c1=O 765728416 QREAYLUXGRPKFW-BQYQJAHWSA-N 439.457 -0.096 50 20 IBGD NC(=O)COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 765734908 FGHUDXGDSUZJOH-UHFFFAOYSA-N 439.472 -0.230 50 20 IBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1 770249860 CTYHPIJRUJBHKF-UHFFFAOYSA-N 426.539 -0.331 50 20 IBGD C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 776236237 ZPBQKFXBXFMMRC-SJORKVTESA-N 436.490 -0.168 50 20 IBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 784004833 LBZGTIDOBCHDRR-UHFFFAOYSA-N 430.446 -0.546 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978582 ASLXOMQCEWJWLH-RBSFLKMASA-N 448.476 -0.779 50 20 IBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 812693882 JUBAZQSDEHDVLE-UHFFFAOYSA-N 447.539 -0.694 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 816877685 ADQJRTCWEGIUNZ-CYBMUJFWSA-N 449.493 -0.733 50 20 IBGD Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c2c1CCC2 1777960057 IOAMKOQPBOQZLK-JOCHJYFZSA-N 438.293 -0.654 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778736505 UNJATYHLCKTCAH-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783880069 BEPMRVLEVYJYFJ-ACJLOTCBSA-N 442.856 -0.160 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1783885386 ZSHKCSZHBOIWMK-BDJLRTHQSA-N 435.955 -0.070 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21)c1cccc(B(O)O)c1 1786982158 PKFZXHRTGZYDNR-QRTARXTBSA-N 443.221 -0.225 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791255258 IUQKQULHLFHEOP-DDWPSWQVSA-N 439.900 -0.468 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290935 FILSKDNBTPSZPF-IWCQGFGOSA-N 425.530 -0.794 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799357952 SMGONDKCVYWEAR-AGGWBTHJSA-N 437.099 -0.503 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801399018 TYEDAHZCZMMZDA-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1)[C@H](O)CCl 1803142733 HJLFASALVWLLQA-DFGXFYAUSA-N 426.901 -0.662 50 20 IBGD CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347997 AOLYEBXCFDYZQM-YGRLFVJLSA-N 430.295 -0.427 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831901284 KPIXPJMWWKOUCE-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnco1)CCO2 1831930729 SZCZCDJIKHQAOX-RXULLKCLSA-N 444.448 -0.121 50 20 IBGD COC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798167 YWUIVYMIDJYZCM-INIZCTEOSA-N 431.342 -0.166 50 20 IBGD Cc1noc(CC(=O)NC2CCN(C3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)n1 1834852533 DERBNGYFAKGHKZ-UHFFFAOYSA-N 449.556 -0.135 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835194284 MCQWTENFKBYYIV-FQEVSTJZSA-N 426.514 -0.758 50 20 IBGD CC(C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734377 DDGZHVSHMXBLNH-IBGZPJMESA-N 446.552 -0.113 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928754 XYQQFCLFLXQNPK-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1837456803 QFKXOYHBDHMLSA-FQEVSTJZSA-N 447.517 -0.224 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839386753 MVUQADNFUOKARN-PSTGCABASA-N 439.868 -0.180 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519140 XHSGIGQVQLJHIA-BEFAXECRSA-N 442.900 -0.011 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498310 BZRQPRMGIKDGPN-NRFANRHFSA-N 449.508 -0.841 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)c(=O)nc1O 1840809448 YPBDVGIOTHXXHW-KRWDZBQOSA-N 449.291 -0.483 50 20 IBGD Cn1cc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 10936662 XLLDXZKFNJRVHY-VMPITWQZSA-N 431.361 -0.990 50 20 IBGD C[C@H]1CN(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCO1 726261415 RMLYSQYKOLJLOZ-HNNXBMFYSA-N 441.558 -0.636 50 20 IBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 728433891 GPMGBKNEEFSCNF-ZDUSSCGKSA-N 431.540 -0.942 50 20 IBGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)Cn1cc(S(N)(=O)=O)cn1 734252139 FBATWVGFFOSWAG-UHFFFAOYSA-N 430.512 -0.249 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742676649 KATWOWGPRCCBDS-OXHZDVMGSA-N 439.469 -0.606 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 744550532 ZZXJKRHDWWXADZ-QGZVFWFLSA-N 434.412 -0.017 50 20 IBGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 746781189 QWSZKIUWNXBGDB-NSHDSACASA-N 449.445 -0.007 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnc2c1c(=O)n(C)c(=O)n2C 747719609 VOSOMRKOPNIQKA-AWEZNQCLSA-N 425.401 -0.458 50 20 IBGD CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748247020 JFZDMVMJEXAZJM-UHFFFAOYSA-N 437.522 -0.080 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)N[C@@H]1CCS(=O)(=O)C1 749173112 HWFNTMQAIYVYNN-MNOVXSKESA-N 436.537 -0.581 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 759523060 CVKKFEQDYJUVIS-NXKWAJLKSA-N 432.458 -0.508 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 763664806 HTNPOIMXJQDNEH-UHFFFAOYSA-N 444.492 -0.003 50 20 IBGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)CC3CC3)c2)CC1 764142864 LSYUFQKXCOFXTD-UHFFFAOYSA-N 437.522 -0.101 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1S(=O)(=O)N1CCCC1 764299703 LBHKSJGQNIADQK-UHFFFAOYSA-N 428.467 -0.398 50 20 IBGD CCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 765729720 ZRFCNBBYOYWXGT-UHFFFAOYSA-N 429.393 -0.635 50 20 IBGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)NCCCOC)s1 773230026 ANKGEVQANPYTGP-UHFFFAOYSA-N 428.558 -0.241 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 788022758 HJPQLZCTDZYHSN-KGLIPLIRSA-N 445.519 -0.660 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1 788333511 NSZYHWNEIMUINA-VIFPVBQESA-N 428.858 -0.451 50 20 IBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)n1cnc(C#N)n1 798346988 WFXSZQMVEOMTGW-GFCCVEGCSA-N 433.450 -0.807 50 20 IBGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CN2CCCC2=O)c1 1350838401 POMAJSHGWNMZNF-UHFFFAOYSA-N 433.284 -0.259 50 20 IBGD C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726738 RMYBCZLQNPNALF-BVBHFADKSA-N 447.536 -0.307 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 1794902232 WCMYFOUTUIYCMP-NDMOTNCASA-N 427.465 -0.243 50 20 IBGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n(C)n1 1798440709 MOLXHACCIDKYEU-CLLJXQQHSA-N 427.465 -0.007 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3cncc13)C2 1801011591 PWQFMMGAJHKJJH-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807944571 QSDZYYFBOROKGU-WHOFXGATSA-N 446.855 -0.873 50 20 IBGD C[C@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800998 WNZQPGWESLNZGY-VHSXEESVSA-N 431.478 -0.498 50 20 IBGD CN1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)C1 1819801764 SIIQADZGMPSYHD-LLVKDONJSA-N 429.506 -0.071 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830543399 QZMUNVLZSZPFKM-YVEFUNNKSA-N 443.298 -0.129 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723476 OCJLVXZRPFVFPM-QOKNQOGYSA-N 426.901 -0.062 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)o1 1830731582 MMEQYIDNIBYPMW-UGSOOPFHSA-N 429.857 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccns1)CCO2 1833779241 RDKMGMBHZWIOIU-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835749604 LKQXMKFPNXMGGU-AHIWAGSCSA-N 449.346 -0.791 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419416 GYQBIIGNRSDXTJ-FZKQIMNGSA-N 429.857 -0.183 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1837709365 YULMIRLKRMITJM-HNAYVOBHSA-N 427.574 -0.180 50 20 IBGD O=C(c1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197624 CINATMUZHZWHTL-DOMZBBRYSA-N 433.234 -0.057 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840181571 DHABDWZZKYFGHX-CVEARBPZSA-N 427.281 -0.138 50 20 IBGD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1(F)F 1840825953 XIXXBXKZBRILHB-RTBURBONSA-N 438.236 -0.518 50 20 IBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)N1 1845873783 JWJIVUYQXGMAEI-LOWVWBTDSA-N 432.905 -0.096 50 20 IBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(OCC(=O)N2CCOCC2)cc1 728437544 UDEQUYRCZAOPIB-CQSZACIVSA-N 426.495 -0.298 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)c1 745151973 SQIZBTTTYXSXGC-UHFFFAOYSA-N 441.487 -0.055 50 20 IBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 755974239 MHMYRGDGOYXXQN-UHFFFAOYSA-N 441.514 -0.667 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 764228517 XPQPZDBYNAQMQI-ZETCQYMHSA-N 444.363 -0.210 50 20 IBGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764424724 KPTWVVOYXLSDGL-OAHLLOKOSA-N 431.405 -0.531 50 20 IBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)CNC(=O)c2ccco2)s1 771972997 BMCXLBFRDWMYTC-UHFFFAOYSA-N 429.480 -0.312 50 20 IBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCNC(=O)c1cc[nH]n1 780877296 GKAXUMZJCFGJAQ-UHFFFAOYSA-N 428.497 -0.318 50 20 IBGD CNC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1OC 793450910 PJIUVPQXEWTFBW-VIFPVBQESA-N 442.885 -0.128 50 20 IBGD COc1cc(C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)cc(OC)c1OC 811676393 VYKDJYXOWRAYKM-UHFFFAOYSA-N 439.512 -0.442 50 20 IBGD Cc1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)nnn1-c1ccn(C)n1 815964525 KWRWTAPDDLMHFG-UHFFFAOYSA-N 432.304 -0.251 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 817052511 DUOTZGYOPLRJTJ-UHFFFAOYSA-N 425.492 -0.122 50 20 IBGD CC(=O)N1CCC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 915931166 IOUVIVGABZHASN-UHFFFAOYSA-N 425.511 -0.043 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CS(=O)(=O)NC(C)(C)C)cc1 919684576 ZPSUIGOJDCANKV-UHFFFAOYSA-N 434.540 -0.519 50 20 IBGD Cc1nocc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786133150 KNTHQMZGZYPLDE-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1790961232 XNLPDHMGALKMRW-JBXGNFEISA-N 448.358 -0.210 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccco1 1793931590 XFBLHHZDXXXDRU-DRXBFXEBSA-N 427.417 -0.636 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794206365 KVVBVGUFKSYSNW-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C(C)(C)C 1801010606 LHFJIJHDRJVRFB-WTLGNFPFSA-N 439.557 -0.500 50 20 IBGD N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809744799 HSABFGOHSHGIRD-UHFFFAOYSA-N 442.524 -0.630 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CS(C)(=O)=O)sc2C1 1814327445 CGECDAFVTLCXOC-JTQLQIEISA-N 431.540 -0.527 50 20 IBGD Cc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834264615 HQWCOSGRLOXMSM-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1 1834378660 SPRLKTYQGBOQDE-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927533 RQBDTQCPSJWXPQ-DENIHFKCSA-N 446.309 -0.604 50 20 IBGD N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1837461325 UOWQRIKLKLQCDJ-NRFANRHFSA-N 442.476 -0.551 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1837709367 YULMIRLKRMITJM-KXBFYZLASA-N 427.574 -0.180 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840132122 AHISFGHHIMIMFV-YWZLYKJASA-N 426.514 -0.569 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185071 HLQNRWPRJZGSKY-JXFKEZNVSA-N 441.529 -0.383 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840561511 NLMVJEHQIAAIDF-HXUWFJFHSA-N 431.449 -0.941 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 744446487 ADSLBHICPWFRNU-UHFFFAOYSA-N 435.300 -0.015 50 20 IBGD COC(=O)COc1ccc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 744998985 JHFCNCYPJHYDKP-UHFFFAOYSA-N 435.462 -0.337 50 20 IBGD Cn1c(O)ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 751558609 YFGGYDCKFKQPSF-UHFFFAOYSA-N 435.462 -0.265 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 762476028 XWTPECIDDZQWLB-LURJTMIESA-N 444.285 -0.606 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1)[C@H]1C[C@H]2CC[C@H]1C2 764421012 INZBKKMKTZGNKG-WFGGJUAMSA-N 438.506 -0.132 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n(C)c1=O 765724551 LXFAKOUMNGOFEW-QQRKTFAASA-N 444.492 -0.698 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOc2ccccc2Cl)n(C)c1=O 765730853 OZUJEOAWSLYOLY-UHFFFAOYSA-N 434.840 -0.296 50 20 IBGD CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)CC1 782079706 LZUJGIUFRTYPQA-LBPRGKRZSA-N 426.499 -0.555 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCC(C)(C)O)CC2)cc1 787438496 CXDFFIQMRCQHEG-UHFFFAOYSA-N 426.539 0.000 50 20 IBGD O=C(NNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccc(-n2cnnn2)cc1 789829427 NJSPPLTZAMDTDU-OAHLLOKOSA-N 434.482 -0.483 50 20 IBGD O=C(CN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1)NNC(=O)c1ccccc1 916142180 LXDXJGMDLDTENV-UHFFFAOYSA-N 438.488 -0.474 50 20 IBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 919889467 MSJCQMWSDATOFX-NEPJUHHUSA-N 440.478 -0.426 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cn[nH]c1)c(=O)n2Cc1ccccc1 920444351 FJZXHYXNRPKRHS-UHFFFAOYSA-N 436.432 -0.388 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781047446 RPKQXOWSARHCHL-PITQQHRWSA-N 449.932 -0.057 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1783934874 IZUBZJPZVKWTAB-HXUWFJFHSA-N 435.529 -0.150 50 20 IBGD COC1(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CCC1 1791848894 KWPDPESPRAAYRY-WDSOQIARSA-N 430.310 -0.081 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1793313619 YZZRJLNHCFGFBL-AYDFFVQHSA-N 435.619 -0.245 50 20 IBGD Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1794475817 PTCKZLSSDBGERM-QHBPRCKVSA-N 431.428 -0.627 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ccccn2n1 1796832943 NYFDIDNTKCILHJ-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799349719 KBMYDYMWPLZPPV-VEOFNUSFSA-N 426.239 -0.669 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800640143 WJCWKFNTDKHFRM-OCVGTWLNSA-N 439.115 -0.257 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800755917 AHUVOKBULMHMMU-XHSYRHOGSA-N 439.270 -0.596 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800756792 IXHNNBQNHXTJLU-OVZMXSCWSA-N 428.283 -0.326 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801455403 ZWXMHTWUGJVOPR-LJGDNWOOSA-N 441.492 -0.346 50 20 IBGD O=C(CCn1ccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826871911 VIEOCQPIRFYBCE-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1O 1830243459 NXBLLBMMYAWWLK-OXJNMPFZSA-N 442.896 -0.001 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312867 JFRMLLLQIDNZBE-MRXNPFEDSA-N 431.965 -0.469 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)co1 1837456625 LRTSLLGDNANXEY-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459883 OBLNMIXQJNLPBR-FQEVSTJZSA-N 443.464 -0.900 50 20 IBGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CN1 1837921668 UTWWHOIPHRERLJ-MRXNPFEDSA-N 443.309 -0.885 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839142838 CEGPBWDWLOCVCW-BFUOFWGJSA-N 439.900 -0.286 50 20 IBGD O=C(CN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199897 YYXDNDJTZZACJV-ZBFHGGJFSA-N 438.294 -0.535 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1840151131 VXJVVNNPHFZJPA-BEFAXECRSA-N 433.933 -0.141 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840183669 SQFORUPOQQLNFG-HXUWFJFHSA-N 436.465 -0.917 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)[C@H](C)O)cc1 728178667 BHWZCHQHAAKSMW-DZKIICNBSA-N 433.552 -0.485 50 20 IBGD NC(=O)CNc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728329748 GEMHEQMGQBOSQK-MRXNPFEDSA-N 428.401 -0.272 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 728386447 GBZKTVRGUPHYFQ-STQMWFEESA-N 447.510 -0.192 50 20 IBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 728437608 UPJHNASOLLNWCS-ZDUSSCGKSA-N 432.524 -0.515 50 20 IBGD Cc1c(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc(C#N)n1C 734123907 SCTCFXLAIDVNNR-PDGQHHTCSA-N 445.549 -0.251 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 756840541 WOUMDNKKVVVAQA-FRRDWIJNSA-N 442.498 -0.894 50 20 IBGD COC(=O)c1cn([C@H]2CCCN(C(=O)NNC(=O)CNC(=O)c3cccs3)C2)nn1 762570968 IEHBESDOABPGLR-NSHDSACASA-N 435.466 -0.066 50 20 IBGD Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226095 FRTVKACIJBCUSL-LBPRGKRZSA-N 443.551 -0.428 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 777940665 MZXMPFDCYWUNLG-UHFFFAOYSA-N 431.423 -0.010 50 20 IBGD C[C@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 792855049 NPYNIBBPISGHAW-CHWSQXEVSA-N 428.536 -0.004 50 20 IBGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 807004279 KCUPDZLGNDZCGT-UHFFFAOYSA-N 432.481 -0.325 50 20 IBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 810308140 RERBZMDZVMWFED-UHFFFAOYSA-N 440.434 -0.848 50 20 IBGD COc1ccc(-n2cnnc2SCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919889613 PWZJBXOCLZERIX-LLVKDONJSA-N 440.507 -0.115 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCn2ccnc2C1 1116681175 JLHSSKHTWLFKJD-OAHLLOKOSA-N 448.505 -0.137 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330412 AFCJRGWVNQSVLN-CJNGLKHVSA-N 429.051 -0.500 50 20 IBGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288003 MQOMJMFGCKLPDP-KKUMJFAQSA-N 444.554 -0.755 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2)N1CCN(C)CC1 1799186699 QESJZSGNZBVGSO-DGADGQDISA-N 431.375 -0.005 50 20 IBGD Cc1nccn1CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801308894 HTEOKYZRWYFVFH-RMFSNUHRSA-N 440.309 -0.445 50 20 IBGD O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056635 PEUKEFZJJIWMRI-UFYCRDLUSA-N 429.326 -0.678 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1831656109 ATPYNOJYRYUQLA-SCLBCKFNSA-N 433.889 -0.607 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1)[C@H](O)CCl 1833310128 JWAZJQDAPKKAGZ-OAHLLOKOSA-N 435.916 -0.091 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1837709363 YULMIRLKRMITJM-DNVCBOLYSA-N 427.574 -0.180 50 20 IBGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)co1 1838138947 OEDRXQVUIKUUJF-FQEVSTJZSA-N 437.497 -0.320 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840156240 PFXYPVPOTROQOB-WBMJQRKESA-N 433.918 -0.393 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 729276227 ZUCGYRSIFOMEEX-GXTWGEPZSA-N 432.524 -0.685 50 20 IBGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729455856 CZUQRQVMJGXOBD-UHFFFAOYSA-N 447.271 -0.433 50 20 IBGD CCN(CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CC1 750915401 VLOWBVWHAUAGNM-UHFFFAOYSA-N 437.566 -0.067 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 761620187 SUQRFPLHOSWIBO-UHFFFAOYSA-N 432.462 -0.618 50 20 IBGD CN(CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 765346358 XFGHLBZVXCLTDI-AWEZNQCLSA-N 447.558 -0.165 50 20 IBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003945 AMSBTDOWZDXPTK-UHFFFAOYSA-N 434.430 -0.184 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 812727804 WNMQOWYTSVQNJN-JSGCOSHPSA-N 444.535 -0.584 50 20 IBGD O=C(COC(=O)Cn1cnc2sccc2c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 819041272 CCZNKRBKTPVLMD-AWEZNQCLSA-N 444.425 -0.011 50 20 IBGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 1257438764 WUIVFRMMTORPRN-UHFFFAOYSA-N 446.551 -0.416 50 20 IBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCN(CCN2CCOCC2)C1 1328473160 BKVMREBUNOOCCY-INIZCTEOSA-N 429.485 -0.987 50 20 IBGD O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779136895 FPFNUIZXOLSSGD-IIHIVLJSSA-N 425.250 -0.478 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1781997377 STAIVMXCKIBTBQ-UZTWBRENSA-N 445.314 -0.118 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1783936370 MNTINIGHZLSHLK-NRFANRHFSA-N 432.525 -0.036 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1783974428 NUHDQFVGXUEISL-CYDGBPFRSA-N 448.314 -0.460 50 20 IBGD Cc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784724553 UUIUAGWCHUBKKE-SNRMKQJTSA-N 426.282 -0.685 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cncc(F)c1 1786145236 KTTWTCBODAHFJH-JVPBZIDWSA-N 427.241 -0.192 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(O)nc1 1789300112 PUIPMZHKWVNBSE-SZMVWBNQSA-N 425.250 -0.626 50 20 IBGD CC(C)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(C)C 1795734330 FFASRTORXPENLA-PIKOESSRSA-N 431.342 -0.408 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)no1 1796869942 NVFXLDNJKVVJRS-BJWYYQGGSA-N 440.265 -0.057 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1797751733 QOCNBOLURHWONO-IVWMJMPLSA-N 439.476 -0.655 50 20 IBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810306113 UBMRSRXFKZOXNN-DHSIGJKJSA-N 439.476 -0.466 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821474531 QISAIRKXBSPAFX-JTQLQIEISA-N 433.494 -0.175 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830731192 HSUMAYFSINRBCA-BEFAXECRSA-N 426.901 -0.183 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735252 FJVXWDVSWKRPNO-SCLBCKFNSA-N 435.905 -0.433 50 20 IBGD CN1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797556 YCQLPBUZRADDSS-NRFANRHFSA-N 442.369 -0.354 50 20 IBGD CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835257928 XWRLLWLLRVIMLF-DGCLKSJQSA-N 431.280 -0.822 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1835929562 WGUQKPWSVXXOPA-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836974196 PUPXDZHGAWLVMU-VQIMIIECSA-N 426.901 -0.111 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839662396 LYMJPHICKHRSFG-LJQANCHMSA-N 426.901 -0.035 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010361 IHZGPUXDQNRZSB-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 16231237 KMMGQMJMGUINFX-UHFFFAOYSA-N 439.453 -0.080 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2)CC1 728213688 GPEXBUYAQGVNRM-MRXNPFEDSA-N 445.567 -0.510 50 20 IBGD CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 731729951 GTYFUMIBMYHWLZ-CYBMUJFWSA-N 429.451 -0.765 50 20 IBGD COc1cc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F 732307515 IKPSWIOEKMNZLQ-SNVBAGLBSA-N 435.405 -0.392 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 760443176 RAHRYUWVOWULOA-UHFFFAOYSA-N 434.247 -0.226 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)n(C)c1=O 765723869 FBPWNOZXXULWEZ-UHFFFAOYSA-N 439.432 -0.757 50 20 IBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636374 OCNVJBCUCWUYCZ-UHFFFAOYSA-N 427.461 -0.532 50 20 IBGD CCC(=O)c1cccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 772858497 SCIJRUUGYWHYLG-UHFFFAOYSA-N 448.461 -0.964 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914829622 HABKJRUAOUUWDL-UONOGXRCSA-N 439.490 -0.353 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1779034020 ISQPWWBZBPHCBU-XOBRGWDASA-N 427.465 -0.414 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1781997752 FZFBTOLSSMTOIH-APNQJHFZSA-N 433.347 -0.124 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787220246 JPEJYXFSRZXWOT-HMEDOYGISA-N 428.453 -0.468 50 20 IBGD C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(F)(F)F 1793692823 XBSRQHSGGSXCTJ-ZYYNGRNUSA-N 445.398 -0.798 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CCCC2 1796165205 UVOHQWZOFVXMLH-HBCWATKFSA-N 432.525 -0.135 50 20 IBGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1805319414 PFOKZEFIWHYVIU-AEFFLSMTSA-N 434.265 -0.477 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823066 HFQTZGYUFNUGON-SUMWQHHRSA-N 449.346 -0.065 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664775 NPXSTCZIKSBTRX-ROUUACIJSA-N 447.319 -0.064 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840152107 XLPKWWFOWJIYFQ-GMBSWORKSA-N 426.901 -0.208 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840153578 UOAOBCJQNZYRBW-IAQYHMDHSA-N 446.806 -0.198 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381659 QBDRXDVXOSHJPT-LRDDRELGSA-N 433.918 -0.393 50 20 IBGD COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3cnnn3)c2)cc1 725896367 CKXGTJAWIHSTOR-UHFFFAOYSA-N 431.434 -0.056 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCOCC2(C)C)c1 728399409 CWUYQYOSFNRSRR-UHFFFAOYSA-N 427.527 -0.008 50 20 IBGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728958576 ACLNPLBWKYIOLF-OAHLLOKOSA-N 444.540 -0.282 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc(S(C)(=O)=O)cc1 748156938 RVDPHFNSURVNTM-LLVKDONJSA-N 440.503 -0.001 50 20 IBGD COc1ccc(CCC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749356794 YRDJOJHTCDKNJN-UHFFFAOYSA-N 427.527 -0.465 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(OCCF)c2)n(C)c1=O 757679339 KZIFNDVKTCUGFC-UHFFFAOYSA-N 433.400 -0.365 50 20 IBGD O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCN(S(=O)(=O)CBr)CC1 758522903 LEFKXBYLUMNBNM-UHFFFAOYSA-N 445.295 -0.072 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)O[C@H](C)C2 764227072 LYORPRWHQGOQQC-NXEZZACHSA-N 428.467 -0.568 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3nc4ccccn4c3=O)CC2)cc1 766648418 JMONCZJOUFCEHP-UHFFFAOYSA-N 437.504 -0.230 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNc2nc(O)c3cnn(C)c3n2)C1=O 771494005 OKGBPHOAQLVECN-LJQANCHMSA-N 440.420 -0.012 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772192051 JHGUILVXKJDFCY-UXOAXIEHSA-N 434.836 -0.734 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1OC 916531028 KGZPMULDEUGDPE-GFCCVEGCSA-N 429.451 -0.568 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1C 1797750583 JYOSJLGCTRCCPH-JLVBRIDZSA-N 426.477 -0.151 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1800641233 SLMLSRXYJTVQSP-JYYAWHABSA-N 431.375 -0.003 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(O)ncn1 1803739774 ZVRXWNRGTQAKSK-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CC1 1833310109 ITXMTINVDIZKOG-GOSISDBHSA-N 429.993 -0.595 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1835938499 WULPJSBQBSWYQY-FQEVSTJZSA-N 448.668 -0.003 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840031704 ADMWDMHNBICGBP-WBMJQRKESA-N 432.319 -0.934 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056001 DWLOZAGCVNXEDE-UHFFFAOYSA-N 427.552 -0.577 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 725741299 NVFYYKJVQQPDNK-SFHVURJKSA-N 439.428 -0.368 50 20 IBGD COc1cc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)cc(OC)c1OC 725902170 IJAKUXMJQFOGJB-UHFFFAOYSA-N 434.405 -0.387 50 20 IBGD CCc1cc(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc(-c2ccccn2)n1 738531883 NVLOAFPLBYZUKO-UHFFFAOYSA-N 435.448 -0.009 50 20 IBGD NS(=O)(=O)c1ccc(OCCSCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748240805 YAYHIPLGFQVGPQ-UHFFFAOYSA-N 430.508 -0.784 50 20 IBGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1[N+](=O)[O-] 758057027 UUGXFONQHKGINB-RISCZKNCSA-N 441.466 -0.407 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1cccc(N(C)C)c1 762963657 ADRJWOPBUWUCKU-LBPRGKRZSA-N 433.490 -0.021 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccncc1)CC2 764353925 MYBUWOHELOWRSD-UHFFFAOYSA-N 431.474 -0.341 50 20 IBGD COc1ccc(/C=C\C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 765725346 QVAZJORFHABMRK-VURMDHGXSA-N 442.432 -0.688 50 20 IBGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 767851747 UCMBJVSOPQTFCC-NSHDSACASA-N 443.345 -0.167 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1 770436443 VMESVXPNPBHRCF-GDBMZVCRSA-N 427.527 -0.335 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)n(C)c1 778913328 HWNLKMQPAJCVHK-UHFFFAOYSA-N 433.446 -0.235 50 20 IBGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1OC 793451327 RCNZVFUREVDJFR-SNVBAGLBSA-N 439.450 -0.346 50 20 IBGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 799835580 UAGHROFOLKYLEE-OAHLLOKOSA-N 442.494 -0.425 50 20 IBGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806976655 JWSYBKNVIRHFIK-ZIAGYGMSSA-N 425.445 -0.178 50 20 IBGD CN1CCN(c2ccc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)cc2F)CC1 1317946508 QFMXTWYFBLSSOD-UHFFFAOYSA-N 449.512 -0.388 50 20 IBGD Cc1nccn1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1782775990 RTTIVPQZIDXPSA-FQEVSTJZSA-N 427.465 -0.666 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786729560 QLZBUYXYSILLLO-XSLAGTTESA-N 430.977 -0.143 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)Cc3ccccc3)[C@H]2C1 1790957397 IHRGDMKDMKKONA-MUGJNUQGSA-N 446.548 -0.057 50 20 IBGD CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792976478 IHWKHHBIWMMBGT-KPEUIFRASA-N 444.937 -0.178 50 20 IBGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C)s1 1795732508 NROCALVZMJXMBL-CWPLJXCYSA-N 443.334 -0.114 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)cn1)C2 1801009566 NVZJDPXNUJGOMU-YVWYUNDQSA-N 432.525 -0.276 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362054 DJYNFYQHBQSGNU-BEFAXECRSA-N 435.249 -0.177 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)n3)C2)CC1 1810887527 IBUKHHHIWWVROC-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050981 JBVJARZNIVNPLD-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cs1 1835935617 VVSKHYFDSBMGNI-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839654647 BOVVQWVTBLYHSZ-SFHVURJKSA-N 446.646 -0.222 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839655660 LIBBKMLMWNGUOM-OAHLLOKOSA-N 427.354 -0.270 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840151917 RDBXGSKCQPZPLL-KUHUBIRLSA-N 443.884 -0.280 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840154667 CFOYIXJDOLVXIA-BEFAXECRSA-N 442.900 -0.175 50 20 IBGD Cn1cccc1C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 726541100 SCANNHQEPRSOHY-CQSZACIVSA-N 442.519 -0.432 50 20 IBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732326740 VZMIXFANKOVGJE-CYBMUJFWSA-N 428.423 -0.287 50 20 IBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 742026737 WIVBTSRGSRFGRK-UHFFFAOYSA-N 426.422 -0.524 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744362070 KYSATVAZUHWGQS-XNHWVXRISA-N 435.458 -0.598 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)C(=O)NC(C)C)cc1 744448063 ZRFUBOAQULYYJX-UHFFFAOYSA-N 426.495 -0.038 50 20 IBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cc3ccncc3)n[nH]c2n1 747428863 YOFANZSLXVLUSA-UHFFFAOYSA-N 430.498 -0.318 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)CCN1 763552078 WFRMWIVJFLZNSJ-UHFFFAOYSA-N 425.401 -0.249 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(Br)c1 764227694 QDAFYTNFMGFYEE-ZCFIWIBFSA-N 425.236 -0.388 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)n(C)c1=O 764514260 MPNNLPQTRPBLKI-UHFFFAOYSA-N 445.461 -0.777 50 20 IBGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 769353753 ILFAPXKTEHTIPR-LLVKDONJSA-N 433.433 -0.173 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 771846826 SSPKWNSSARCTGU-HEHGZKQESA-N 429.495 -0.180 50 20 IBGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 782701317 DPSJSORSOPTGPT-UHFFFAOYSA-N 435.444 -0.100 50 20 IBGD Cc1nn(C)c(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)c1C#N 788102306 WHNHEEKZGDZQGV-UHFFFAOYSA-N 430.494 -0.046 50 20 IBGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 792082396 CIYOZJHHHHWVNM-BMIGLBTASA-N 426.451 -0.286 50 20 IBGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 794722328 WOQBYWAEBZGQBW-XZINFULNSA-N 436.490 -0.069 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(Cl)cncc2Cl)n(C)c1=O 815827051 KCAFDYWEDPBAOK-UHFFFAOYSA-N 426.220 -0.403 50 20 IBGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 916108649 HIPQJRXGMUDYJH-HNNXBMFYSA-N 435.414 -0.350 50 20 IBGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919886338 VSEHNCJNBPXSOV-SOZUMNATSA-N 443.526 -0.359 50 20 IBGD CC(C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371107 DELKDRWSTJFTRS-LLGFUMIMSA-N 433.509 -0.171 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781047445 RPKQXOWSARHCHL-FAYLSGKYSA-N 449.932 -0.057 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783939940 OFKWBGVOOYAHQH-HXUWFJFHSA-N 426.514 -0.221 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1783967894 ZFSBFGDRUIYLES-JLHDYFKBSA-N 448.358 -0.352 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1787508281 CQXWQCHXLPDYKZ-OCCUQACQSA-N 443.464 -0.157 50 20 IBGD Cc1ncncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611035 GXXQYERRRZXQNK-KKXDTOCCSA-N 439.476 -0.309 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1792870588 GPHJCYBVTHREQU-XYFZXANASA-N 434.331 -0.742 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(C(F)F)no1 1795913411 SAPBQBCNRBUMIR-DRXBFXEBSA-N 435.192 -0.191 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)Cc1cccnc1 1796845798 MOOZQZTUXHNGGS-RCJHGTSTSA-N 437.504 -0.098 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)(Cl)Cl 1800584580 OWCSNWPXVCPWAQ-PTEHBNRSSA-N 435.500 -0.060 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974201 SEMLBWBZYFVHST-OAQYLSRUSA-N 446.309 -0.173 50 20 IBGD CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354473 DQODDCKKFHIIQU-GFCCVEGCSA-N 437.308 -0.907 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1826085316 MIOPUGSHOKWAGF-QWRGUYRKSA-N 439.542 -0.979 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ncc1[N+](=O)[O-] 1830728047 NNODVGLUMNJBHC-MAUKXSAKSA-N 442.856 -0.032 50 20 IBGD CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832311001 QJQQDOAZSBGDQC-OAQYLSRUSA-N 434.298 -0.749 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047276 NOASFPSJSYTIDQ-HNNXBMFYSA-N 444.916 -0.209 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1ccccc1=O 1837680569 NWNVVTAPMJPQFI-VCBZYWHSSA-N 427.885 -0.535 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664771 NPXSTCZIKSBTRX-QZTJIDSGSA-N 447.319 -0.064 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840184034 OOKZCMOSTKRXJC-FQEVSTJZSA-N 426.514 -0.758 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285713 XGHBNLZSWIWKOW-INIZCTEOSA-N 447.826 -0.413 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846385159 XQHHKWMFQDGEKD-OAHLLOKOSA-N 426.470 -0.942 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 106931290 UNVBIPBJAAHJHE-UHFFFAOYSA-N 428.423 -0.429 50 20 IBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)CN(C)C)c1OC 733359630 UQURXCUZOFCTTF-UHFFFAOYSA-N 430.483 -0.953 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)N3CCOCC3)CC2)cc1 745986533 XVBAUBLWDDJFMI-UHFFFAOYSA-N 425.511 -0.626 50 20 IBGD CCc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 748240553 HEBVSDRUXVTWKW-UHFFFAOYSA-N 438.506 -0.347 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2C#N)c2ccccc2O1 763807465 CEYOXTOKNPUGJS-QGZVFWFLSA-N 437.412 -0.375 50 20 IBGD C[C@@H]1CN(C(=O)NNC(=O)CNC(=O)c2cccs2)CCN1c1nccn2cnnc12 771210265 ZDMQOAYJCZVEML-GFCCVEGCSA-N 443.493 -0.133 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 771868409 OVCHQBPXSHMJEB-LLVKDONJSA-N 431.442 -0.051 50 20 IBGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)s1 773231118 HTMGMRINUIORDK-UHFFFAOYSA-N 426.542 -0.535 50 20 IBGD O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[C@H]1COc2ccccc2O1 800045034 YKRJBAWSDNPTQC-CQSZACIVSA-N 446.416 -0.618 50 20 IBGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814538056 XWGMRONMQLOMBE-ZDUSSCGKSA-N 429.437 -0.014 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1OC 916526407 JSEDHXFVRUAYJP-HXUWFJFHSA-N 448.432 -0.272 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1778094946 OYYKLFRFZXYGCW-DHSLWRBWSA-N 447.496 -0.697 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779030176 HQXZIRMNJURCCS-FQEVSTJZSA-N 442.432 -0.751 50 20 IBGD O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CCN1 1782269169 BOODGIRHRHOUHQ-YBOAYWMSSA-N 443.309 -0.980 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1783935329 SLXYWOBAWCCUMS-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD CCN1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1785645808 JIFDOGDFQGFQFP-JOCHJYFZSA-N 444.536 -0.140 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786979886 WONRBWGUAMDKQU-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1[C@H]2C=CS[C@@H]21 1790625686 ZJSOVAHGXFNHLN-RHNZQBAGSA-N 428.319 -0.165 50 20 IBGD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879074 GGMDKVXJQLZRCN-FQLMCAECSA-N 446.932 -0.156 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CCOCC1 1795457215 AVUDVSOOSRJPOW-CCWDJLKJSA-N 431.493 -0.295 50 20 IBGD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817323532 OQECPBAMIFUSRG-AWEZNQCLSA-N 444.322 -0.179 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CN1 1817476975 JKFVJWTZDSMWIN-CJNGLKHVSA-N 425.254 -0.469 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1 1826661686 DJRSERWHXHZNAM-RTBURBONSA-N 427.310 -0.122 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835261896 VJFSWNZNBCIZQX-RISCZKNCSA-N 427.317 -0.729 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537603 SIUPTVMSHINCGE-CZUORRHYSA-N 441.849 -0.425 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930611 PPLVEDOGYGQNOR-XMSQKQJNSA-N 446.309 -0.991 50 20 IBGD Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937072 NOEZIPXKILTWTF-NRFANRHFSA-N 445.256 -0.772 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837209385 VDDVGNGCOMVFFA-QAPCUYQASA-N 447.561 -0.641 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199937 AGQQVNGMSRPMHY-PVXIVEMSSA-N 436.278 -0.176 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840035944 AQWHRIDJEFLLIF-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1840616364 UGEPLWAWOGLZBM-QFIPXVFZSA-N 446.309 -0.604 50 20 IBGD CN(C)CC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 733359326 MLXHHCIMOCDKEL-UHFFFAOYSA-N 433.450 -0.208 50 20 IBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 741652148 FERPRXZPYLYKSX-SNVBAGLBSA-N 425.872 -0.194 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 744446616 FXZGIKQJFZXLLB-STQMWFEESA-N 426.495 -0.230 50 20 IBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 747407912 YXLSTPWKIUTKOF-UHFFFAOYSA-N 437.463 -0.806 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 749582603 LGMNRGYIDNYDBM-QWHCGFSZSA-N 438.462 -0.463 50 20 IBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CCN(c2ncccn2)CC1 749979951 DGTKUOKEKQJWRF-OAHLLOKOSA-N 431.478 -0.430 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1OC 751667413 AQDAGQZSJQIZGE-LBPRGKRZSA-N 431.405 -0.216 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1OCC(N)=O 763576511 BIXFIKCXMASUDJ-INIZCTEOSA-N 444.400 -0.515 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c[nH]c3ccc(F)cc23)n(C)c1=O 765732479 VMSZCMXNXUODSL-UHFFFAOYSA-N 427.396 -0.556 50 20 IBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1 771603708 DKTVLZAKYCVRKJ-UHFFFAOYSA-N 429.842 -0.665 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 773546470 MPTQVOIZZRYNRY-QMMMGPOBSA-N 444.420 -0.611 50 20 IBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)cc1C 795303448 PCBWJIBMLAIAEB-JTQLQIEISA-N 437.471 -0.010 50 20 IBGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)c(OC)c1 807577653 XFICBOBKBKVUHP-HNNXBMFYSA-N 433.465 -0.243 50 20 IBGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc(C3CC3)nc21 914720167 URZDZXSOXPPBOT-NSHDSACASA-N 449.489 -0.020 50 20 IBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 917106652 ZPORABYMHBUPDP-UHFFFAOYSA-N 449.489 -0.546 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)OCC(F)(F)F)c1 917494919 YIWNYISVKAHKCB-UHFFFAOYSA-N 426.373 -0.014 50 20 IBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919886390 WDLVQQPNPPCZSW-GFCCVEGCSA-N 432.524 -0.106 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778578937 CXKDGYGSNCYALS-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028967 QFWXNAYZYVBONF-NRFANRHFSA-N 442.476 -0.024 50 20 IBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)N1 1780771027 QKDZXPPLXJBFJT-AXPHHGHSSA-N 449.277 -0.211 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781758042 DUUBVXXDVSMHDZ-JOCHJYFZSA-N 437.261 -0.777 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782211860 BORLJYUFYBDZEW-QVKFZJNVSA-N 449.508 -0.007 50 20 IBGD O=C(CCc1cn[nH]c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785279328 LWLYCHPZUGKHTI-WDSOQIARSA-N 426.282 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(O)CC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983515 MRXVLZXACAISHW-AIBUECTRSA-N 430.310 -0.489 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1791055167 MLMVJDBMNOFVIN-BJDJZHNGSA-N 431.287 -0.699 50 20 IBGD CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732472 JUQOFQZSAFWBOD-CWPLJXCYSA-N 438.293 -0.656 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)ncn1 1798307648 PTCZNEWRKXUFDY-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)N1CCN(C)CC1 1799185721 NLZZCXZCJGHDPA-QMIVOQANSA-N 435.338 -0.098 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1801012677 VOZNETNLFUTEFS-RRDHSJHKSA-N 449.552 -0.650 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803138793 FCRCIFXUVNSTHA-NJZAAPMLSA-N 446.855 -0.873 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803142732 HJLFASALVWLLQA-CUSZFKRNSA-N 426.901 -0.662 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1826085501 XIURRBOJQIVOJW-GHMZBOCLSA-N 439.542 -0.979 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959538 HCBAKTHERRFHIN-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830731198 HSUMAYFSINRBCA-KXBFYZLASA-N 426.901 -0.183 50 20 IBGD O=C(c1cc(O)ncn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831739458 ZSLKSXIQRSNRNL-SWLSCSKDSA-N 433.234 -0.057 50 20 IBGD CC(C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934230 QKHGLPSDFFVVPT-OAQYLSRUSA-N 434.298 -0.749 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnc(O)[nH]1 1835963883 GAGACVDUTTVAGD-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1837717385 DYFIICDRXQEANG-DNVCBOLYSA-N 427.574 -0.180 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1840182320 GXOVHONZOAKHIS-DYESRHJHSA-N 440.541 -0.225 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1840183664 SDFFOSNRGTYRDQ-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840941071 UCJQMSXZJZUPQZ-OAQYLSRUSA-N 439.557 -0.698 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)ccc21 1843011369 VYVYFWGNACTJGM-UHFFFAOYSA-N 448.288 -0.312 50 20 IBGD O=C(NNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C(=O)NC1CC1 10215955 KSRAGPJIBAQXMH-UHFFFAOYSA-N 445.295 -0.071 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 729275610 QBIUUVUTJGCYQN-SNVBAGLBSA-N 432.449 -0.098 50 20 IBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)C(=O)NN=C1CCCC[C@H]1S(C)(=O)=O 741451187 DNPLGDGEMKBPTC-OKILXGFUSA-N 434.540 -0.095 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC(C)(C)S(C)(=O)=O)nc2)CC1 748968115 HHUKBNYXLAHJJA-UHFFFAOYSA-N 448.571 -0.533 50 20 IBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 760339921 ODTGLYCCAIOFAX-UHFFFAOYSA-N 432.524 -0.305 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)c2cnn(C)c2)cc1C 760354106 WQYZCICFDNAHEP-HNNXBMFYSA-N 436.494 -0.589 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 764225595 AYLOQBDMHWDUOY-GFCCVEGCSA-N 435.462 -0.316 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 764231715 PCUJVGKXJIDICT-NSHDSACASA-N 439.494 -0.617 50 20 IBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)nc21 770959028 VPKZHMWBAQUBKK-FPQZTECRSA-N 429.437 -0.108 50 20 IBGD Cn1nnc(Br)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 811451111 YLOYHEITEHJVFE-JTQLQIEISA-N 440.210 -0.278 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 916734492 NVNHZAUAUMAWTA-UHFFFAOYSA-N 425.427 -0.322 50 20 IBGD CS(=O)(=O)NC[C@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1323905939 RHTCGELLLGQFLO-GFCCVEGCSA-N 446.555 -0.405 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778731063 ZTLBJKXEMOGTPT-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779325113 LYWHYFQYFDKIRP-AOMKIAJQSA-N 438.293 -0.295 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)[C@H](O)N1CCOCC1 1779414607 RFVKMKNPGGTFDV-FHLIZLRMSA-N 448.358 -0.064 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783343328 SXEBGARMNRQELF-YJBOKZPZSA-N 439.115 -0.017 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784374451 UTZYZMBBFIECKT-GPMSIDNRSA-N 441.916 -0.459 50 20 IBGD Cc1nccn1CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784404746 LPXQBIMJYBOALY-QFIPXVFZSA-N 440.309 -0.205 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)no1 1786140095 BJITUAFQQKMHHU-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccn2cncc2c1 1797503326 ARKFXGDACYNHFK-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752842 ISEBFZCZDLNQHS-VWPFQQQWSA-N 432.481 -0.311 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798422189 BNWNUZFIIUZOBB-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097262 LOMVYQDZGNKETJ-BOLBYERCSA-N 447.536 -0.043 50 20 IBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccc1O 1801011915 UHVBUGSTHKHYCK-YVWYUNDQSA-N 434.493 -0.023 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363751 COJDSYQQUNNZMJ-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD O=C(COCCO)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808599944 HKBGLUBKKGGEMJ-YLJYHZDGSA-N 427.266 -0.910 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808961125 OZDPICNWVDVDQQ-UZLBHIALSA-N 428.497 -0.248 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971327 RDXFZWIDZIUYCF-MRXNPFEDSA-N 427.310 -0.098 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1819796054 YVFHSHGYMQATET-RNCFNFMXSA-N 443.489 -0.354 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cocn1 1834308227 ASNLWQGETQECCN-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD O=C(c1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929353 MCBPVCBIPJLWJN-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD CCc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1835931151 HQQVTMDZAIZYIE-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840560658 OCAGGBCJYPNTJU-CPOKCXMASA-N 445.476 -0.119 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1=O 763573302 YHYLXFOTEVLGKL-OAHLLOKOSA-N 444.400 -0.663 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 764275466 LSGKNHQUKJARHV-UHFFFAOYSA-N 448.457 -0.002 50 20 IBGD CCc1cc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C 764379037 PBCPZMPWCVDPRW-UHFFFAOYSA-N 441.448 -0.909 50 20 IBGD CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764426130 TVRIXXQRYJSSGJ-MRXNPFEDSA-N 435.481 -0.741 50 20 IBGD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427343 YXEHSFHLJOAUGJ-LBPRGKRZSA-N 432.355 -0.212 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 775284738 WUIWJWPWKFIALI-UHFFFAOYSA-N 434.522 -0.196 50 20 IBGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784001691 BLEWHFSOXUSJKN-UHFFFAOYSA-N 431.405 -0.006 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1cccc(I)c1 787885984 IRSQBYBSNIQHJN-QMMMGPOBSA-N 441.247 -0.245 50 20 IBGD COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1 806752369 DBGGYIREAIGFBN-IUODEOHRSA-N 438.437 -0.437 50 20 IBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320455567 WOGDCLJEPANUDF-JSGCOSHPSA-N 429.499 -0.256 50 20 IBGD CCn1nc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccccc2c1=O 1321586588 QVOPGWUUEYBDRR-UHFFFAOYSA-N 425.449 -0.038 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783341682 DFGSIMDKBWZMET-MEDUHNTESA-N 431.287 -0.458 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csnn3)[C@H]2C1 1784672819 GBMWJZKXACJSLT-XEGUGMAKSA-N 431.478 -0.556 50 20 IBGD COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1785201744 XMOHOLQALQJCEL-SZMVWBNQSA-N 447.536 -0.015 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984652 UVTVKNVIEWBOEQ-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786984881 UJXDMNOWFIUFFN-QRTARXTBSA-N 442.237 -0.490 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748611 MEUWSRZRLAWOFC-IVWMJMPLSA-N 447.492 -0.380 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(O)c1 1798833874 UGIFAQLFNCWRBS-YVWYUNDQSA-N 440.261 -0.402 50 20 IBGD O=C(CCCn1cccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801411254 FCWCYHOKXBTOFF-RMFSNUHRSA-N 425.294 -0.149 50 20 IBGD Cn1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815336978 INDJQLGLSRFTDV-GFCCVEGCSA-N 426.267 -0.509 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473047 AWEYERCTWVVUFA-OAHLLOKOSA-N 434.283 -0.560 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1819404768 YBUHKVWYHSUAOZ-CQSZACIVSA-N 425.405 -0.198 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822374959 AGICRTFCKWSDAL-HIFRSBDPSA-N 431.921 -0.058 50 20 IBGD N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728635 WUKYTUHQQIFRAC-FCEWJHQRSA-N 426.901 -0.993 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732797 ASWYQPJUYCMFKK-CRAIPNDOSA-N 443.840 -0.030 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831425382 CTKBNLJZKBHUAR-VFNWGFHPSA-N 447.492 -0.654 50 20 IBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1cccs1 1833027302 JJBIAGLBBOOFCO-ACJLOTCBSA-N 445.925 -0.466 50 20 IBGD NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1835814304 ZVLZBTRPXFFSFY-ZWOKBUDYSA-N 425.913 -0.215 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837457013 VUTNXYVUGSDDGI-OAQYLSRUSA-N 443.460 -0.030 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1837717388 DYFIICDRXQEANG-HNAYVOBHSA-N 427.574 -0.180 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205327 DEPXMOVAZKYXAA-RISCZKNCSA-N 425.707 -0.030 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1840033923 UZNMSIZSMMAJMZ-CRAIPNDOSA-N 447.374 -0.526 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1C 731058059 OPFABTLHGWIWHS-UHFFFAOYSA-N 426.476 -0.101 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 744550320 WULCPKLIQYOKIM-QGZVFWFLSA-N 434.412 -0.017 50 20 IBGD COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 749551829 QCIZHPVACKZJIN-XOUADPBQSA-N 434.405 -0.219 50 20 IBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 763852428 XLEREGXIWXFUMQ-LLVKDONJSA-N 445.407 -0.406 50 20 IBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 764082144 CBEVCYAMFVCOCQ-LLVKDONJSA-N 430.458 -0.021 50 20 IBGD COCc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)oc2ccccc12 765732869 XTLWWHQBBAHHHF-UHFFFAOYSA-N 440.416 -0.213 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccn(C)c(=O)c3)CC2)cc1 766636959 VTCHVGZRGLYVNI-UHFFFAOYSA-N 447.517 -0.539 50 20 IBGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 776275155 FCTOYYBMHBOWMU-LBPRGKRZSA-N 431.492 -0.429 50 20 IBGD O=C(NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)C(=O)NC1CC1 782967011 QELULSGJNJSNFX-MRXNPFEDSA-N 443.460 -0.781 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)nnn1CCOc1ccc(F)cc1 815571251 YULRTCQGGOILOP-AWEZNQCLSA-N 436.400 -0.694 50 20 IBGD COCCN1C(=O)/C(=C/NNC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NC1=S 920977692 HNVMMLJAFGZWSM-PKNBQFBNSA-N 438.462 -0.280 50 20 IBGD CCn1cc(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 1341230048 QFGVZUSIDAPCGZ-UHFFFAOYSA-N 435.462 -0.432 50 20 IBGD Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cccc1=O 1779028752 OROCXDZZUJLJHM-OAQYLSRUSA-N 440.460 -0.859 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779877206 SKJXBBHLDAVHGX-XHDPSFHLSA-N 430.234 -0.291 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cnnn1 1782607554 SCFQREDARCXUOU-SPYBWZPUSA-N 436.517 -0.879 50 20 IBGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)c(=O)nc1O 1785354005 KJSBNXGNCMQENB-MLGOLLRUSA-N 447.261 -0.222 50 20 IBGD N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)c1ccccn1 1786984391 JVVZEQDDODTXHI-LWCVALJOSA-N 438.293 -0.945 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984656 VMBQFDJLTKYJTM-YYWHXJBOSA-N 437.305 -0.013 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)no1 1791536914 MJZJTKLHHGBCDH-KKXDTOCCSA-N 442.476 -0.182 50 20 IBGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C)s1 1794177490 OKWPYJCHXCROAM-CWPLJXCYSA-N 443.334 -0.114 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2nccn2c1 1797076985 OQALQKDODAMVMX-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD Cc1ncncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751873 WYVQCIZRBNYOOQ-FVCICTRLSA-N 425.449 -0.699 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016947 IDNPXWMVABERHY-RNJOBUHISA-N 425.265 -0.126 50 20 IBGD O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1806810491 PGDOYUNNABZAOH-ILZDJORESA-N 436.277 -0.640 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1810304911 HMKBFLWSKRYUFT-HNAYVOBHSA-N 449.475 -0.309 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817470136 JOXFZLUAOSPTRS-PBHICJAKSA-N 439.281 -0.078 50 20 IBGD O=C1C[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827060475 KYRWEAGEJRUKTL-MJGOQNOKSA-N 427.310 -0.264 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831463654 GVMPTAGGVOWSFT-ABAIWWIYSA-N 431.338 -0.073 50 20 IBGD CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833310110 ITXMTINVDIZKOG-SFHVURJKSA-N 429.993 -0.595 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cncnc1 1834234895 BBCINEMLDUERFR-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(Cc1cscn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836040023 FXPMPCOKPHTTCT-HXUWFJFHSA-N 445.306 -0.864 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840150471 LMEMBNUHOGEOLX-DYVFJYSZSA-N 438.930 -0.397 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845437961 VFPDQRHAGBAZER-HNNXBMFYSA-N 433.270 -0.974 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 725878700 UOVCBQDOXUXORR-UHFFFAOYSA-N 425.467 -0.125 50 20 IBGD N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN3CCCC3=O)CC2)cc1 751617512 KXDXIOQWJKVJLX-UHFFFAOYSA-N 433.490 -0.271 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 764397665 BDXLIJCAGIIEFP-CYBMUJFWSA-N 442.494 -0.392 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)cc1 770967901 HYYUHSIUCICNIU-IBGZPJMESA-N 440.420 -0.012 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 816873932 QUWLWPVKOZTQSL-CYBMUJFWSA-N 436.494 -0.245 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 817053184 GZVRCASEVGWKMM-STQMWFEESA-N 444.535 -0.584 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NOC[C@H]1CCOC1 1320649293 MTHUFFYSEVWINH-ZDUSSCGKSA-N 428.467 -0.380 50 20 IBGD CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1793200230 JDCCKIZRYDVVCJ-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793471947 LJQKKNORDLWEED-XOIINTDNSA-N 446.508 -0.949 50 20 IBGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CC1 1795112358 AWDZENFMYCYCJO-JLVBRIDZSA-N 431.375 -0.002 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ncn1)C2)c1ccc(B(O)O)cc1 1795735094 LVTXPJAFZNPVEW-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c2ccccc21 1797171369 GXIRVKVJUXVDAX-VLWCASSMSA-N 436.896 -0.471 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799362159 UKEIWAZTLSCWQW-JTTNIQEDSA-N 449.932 -0.549 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)[nH]n1 1819402181 SAWSVZPIPVVVHW-UKRRQHHQSA-N 440.464 -0.007 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1)c1cccc(B(O)O)c1 1821097301 RKDFOQZOXBNKHY-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD Cn1ccnc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798102 ZRARYWCOILHDPS-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1836516562 GVTZDHPCCBSSDA-GOEBONIOSA-N 441.909 -0.597 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837486062 VSFJQABTDQNWMW-YZVOILCLSA-N 441.916 -0.013 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845912652 LJTFNQXVJKRUDZ-NWGMWSOJSA-N 435.506 -0.099 50 20 IBGD Cn1c(CC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)nc2ccccc21 730672778 LTGGOFGZTVENNP-UHFFFAOYSA-N 440.551 -0.175 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@@H](C)O1 732264671 WGBDNHCLKOSBBN-CALCHBBNSA-N 443.504 -0.295 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 745482961 PFDOALYIMBYBBC-BQGCOEIASA-N 426.385 -0.975 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 764274924 GPOHXYKKQCHIFP-UHFFFAOYSA-N 444.448 -0.188 50 20 IBGD CC(C)n1ncc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cnc21 765728982 AUMXEVXECAPOGS-UHFFFAOYSA-N 439.436 -0.780 50 20 IBGD COc1nccnc1NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 766261018 NVIMLWCEWYYRFH-UHFFFAOYSA-N 449.493 -0.497 50 20 IBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)nc21 770959031 VPKZHMWBAQUBKK-WFFHOREQSA-N 429.437 -0.108 50 20 IBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 772950359 QNAMDAOKFVDCEW-HNNXBMFYSA-N 438.506 -0.273 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 773544636 ALGADZDCMOZUDI-QMMMGPOBSA-N 447.311 -0.039 50 20 IBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 777273684 DDJCXYYRBMDMOI-JKSUJKDBSA-N 444.510 -0.299 50 20 IBGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691093 FGFIUJVHJPKQOB-LBPRGKRZSA-N 438.452 -0.139 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1786406144 KVABMYWBLUDHOU-RZLSGREXSA-N 434.331 -0.598 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984476 KEMVCGQVHWAMFS-ZVZYQTTQSA-N 425.250 -0.626 50 20 IBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)[nH]1 1788611746 YGAFNEMQYXLOEQ-NUTKFTJISA-N 427.465 -0.376 50 20 IBGD COC(=O)CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793591094 NWRYDKUDTPOCCG-CLLJXQQHSA-N 435.506 -0.157 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751530 CVXGERQXCDHVMC-FLTUCWPJSA-N 446.508 -0.807 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797792547 COHUWCSOBJUFQB-DGADGQDISA-N 434.873 -0.675 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799084944 AIOHIRWSJGFDJD-VPTLXERWSA-N 443.508 -0.766 50 20 IBGD O=C(CN1CCOCC1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339777 ONJPMBZVQKOJBW-HNNXBMFYSA-N 444.322 -0.619 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835313651 GBZYBXLMCQZWAH-OGHNNQOOSA-N 432.315 -0.248 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835934453 SUGCUUUMXHGJQQ-QGZVFWFLSA-N 431.081 -0.760 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)co1 1837456628 LRTSLLGDNANXEY-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD O=C1CCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199284 LVGOGUBBPYNRHP-GDBMZVCRSA-N 436.278 -0.244 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840152539 LNPYNZSSBIWZIC-ACJLOTCBSA-N 438.872 -0.552 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1c(O)cc(O)cc1O)C2 1844265067 RJBWRVKCPQHANZ-UHFFFAOYSA-N 427.417 -0.067 50 20 IBGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 750269198 XCBQKMXRICPJCT-LLVKDONJSA-N 432.528 -0.652 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)N=c1cc[nH]cc1I 760030944 VAHUMVOZXBIPKI-ZCFIWIBFSA-N 427.224 -0.802 50 20 IBGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763572716 UVGVRZUCPWGNSU-INIZCTEOSA-N 428.401 -0.019 50 20 IBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763857825 PGJMNEDYPLAMRA-CQSZACIVSA-N 448.455 -0.092 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 764225604 BCTLPBJLQRIPFF-MRVPVSSYSA-N 429.455 -0.027 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc3c(c2)CCCC3)n(C)c1=O 765732668 QTFFNFDRMGOWJV-UHFFFAOYSA-N 440.460 -0.461 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCSc3nnnn3C)CC2)cc1 766649460 POOADWBAQFNHHU-UHFFFAOYSA-N 432.554 -0.034 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 779832970 VVYICZFOSOHVRT-LLVKDONJSA-N 441.491 -0.419 50 20 IBGD Cc1sc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1C(C)C 789984890 WNTMGJLVZALHKJ-UHFFFAOYSA-N 433.494 -0.288 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@@H](B(O)O)C3)CC2)cc1 864234915 YUAKPTMJPXWWBQ-MRXNPFEDSA-N 437.327 -0.317 50 20 IBGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 920825248 IJKXVUWCVVKIGZ-UHFFFAOYSA-N 426.470 -0.004 50 20 IBGD O=C(NNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 1323599516 RMHUWPOBHFHZJC-LLVKDONJSA-N 425.435 -0.045 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778656999 WLVYKOZDUZXCEH-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD O=C(c1cc(=O)nc2sccn12)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779947906 SWZYLOZFTZQPLR-PXAZEXFGSA-N 426.882 -0.201 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783933198 DYDMEIACPMTGIR-OAQYLSRUSA-N 448.524 -0.663 50 20 IBGD CC(C)N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(C)C 1786959869 GUCWVARRCLJBRE-VMXMFDLUSA-N 445.369 -0.018 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnc1 1793936853 KDHOVGKMMFUKNM-HBCWATKFSA-N 440.460 -0.638 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1coc(Cl)n1 1794394992 KEIYKUFLHYBEDL-WDAIWFPHSA-N 434.840 -0.157 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nccn13)C2)c1cccc(B(O)O)c1 1795740714 KHTDKOJXIAIMIX-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1)[C@@H](F)Br 1796571523 JRRNBSNZNWEUEQ-FBSDJGSXSA-N 428.222 -0.245 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)ncn1 1798307574 DMCPACPTQNZYOQ-CULMDFNYSA-N 445.867 -0.355 50 20 IBGD N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1799745462 NFONSTZFDAHFDP-CWPLJXCYSA-N 437.236 -0.106 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1801012555 PNOANHUJDBRAJN-SLAYPKMVSA-N 436.465 -0.620 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@H](O)CCl 1803138534 KKFNTUMJVDTYLF-JQHSSLGASA-N 431.685 -0.319 50 20 IBGD COCCOCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806757875 VZOGWMGOBJDVNL-GHTZIAJQSA-N 441.293 -0.256 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730521 AUMZRDJVDUTMFX-IFXJQAMLSA-N 442.900 -0.405 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1)[C@@H](O)CCl 1833308266 NPSOUUMYSCTCPL-INIZCTEOSA-N 426.901 -0.130 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ncccn3)CC2)CC1)c1cccc(B(O)O)c1 1834800994 GRVJFEUNNQOQCA-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1835934072 MBKUXSPHNXDBCU-NQIIRXRSSA-N 432.282 -0.995 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1835934381 RGBCUWRSYDHZSU-PXNSSMCTSA-N 434.323 -0.668 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837904982 PHJOABWGZDJQAZ-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840030596 PQOHZBXIOIQDTN-WBMJQRKESA-N 434.287 -0.322 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011046 JFZCYPJJBNBIRN-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD CN(CCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 728381816 UGRXSAYXTPUSIE-GFCCVEGCSA-N 435.499 -0.192 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 744850508 MGIWFMQZMJCCTI-UHFFFAOYSA-N 427.417 -0.498 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 755358483 FCGWDJRVEXWBTO-LLVKDONJSA-N 435.528 -0.193 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3c2OCCO3)n(C)c1=O 756149905 MCRFPRWJKGWENX-UHFFFAOYSA-N 429.393 -0.942 50 20 IBGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 757649862 JXLCIZMWMVAFIR-CHWSQXEVSA-N 430.465 -0.295 50 20 IBGD COc1ccc(CC(=O)NNC(=O)c2cc(C)[nH]n2)cc1S(=O)(=O)N1CCOCC1 765587625 OLCDGLRBOCGKTG-UHFFFAOYSA-N 437.478 -0.249 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNc1nccc(N2CCOCC2)n1 768242742 IWHBWRIIJHQCMJ-ZDUSSCGKSA-N 431.478 -0.005 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 770208305 LWDWBVOQNWGCAR-UHFFFAOYSA-N 440.507 -0.334 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)c1 772705328 ASUKQUISOZXWSG-KRWDZBQOSA-N 425.467 -0.534 50 20 IBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 793449342 AQDLQPWGQBUMMR-GFCCVEGCSA-N 442.523 -0.462 50 20 IBGD COc1nccnc1NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806981411 SLYZLAZIJNESNA-STQMWFEESA-N 426.433 -0.036 50 20 IBGD CN(CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 816509700 ZCXLYKSGWCBNAO-KBPBESRZSA-N 432.543 -0.100 50 20 IBGD CCCn1nc(C(=O)NNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c2ccccc2c1=O 912979484 YYGNRHBHBFVLRF-UHFFFAOYSA-N 432.462 -0.133 50 20 IBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc(C(C)C)nc21 916659037 ACQNGGAIPWGDNL-SNVBAGLBSA-N 437.478 -0.164 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 920212641 SJIXNKQINRLDLO-AWEZNQCLSA-N 446.551 -0.202 50 20 IBGD O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779103738 ADZVJXAQZYYFGM-NGPKUFNOSA-N 445.281 -0.661 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)[C@H](O)CCl 1784097214 UZFCJZHUGIJZAF-YFKTTZPYSA-N 435.955 -0.574 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786985209 QSOYKPWCGSHJTR-KNBMTAEXSA-N 449.276 -0.455 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1cccn1 1786986613 QLAYKZMQDONBTL-XIVBQZFQSA-N 426.282 -0.583 50 20 IBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c2cccnc21 1795739232 VAYODHQCVZDUJV-CWPLJXCYSA-N 448.288 -0.230 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CC1 1797272144 HHMIRCJALZJCTO-AGGWBTHJSA-N 426.200 -0.088 50 20 IBGD Cn1ncnc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805279805 VGLSCTUJMHOWIV-PBHICJAKSA-N 449.475 -0.158 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ncnn2C)[C@H]1c1cccnc1 1805282892 MZYWFJQVZDCQCP-CRAIPNDOSA-N 428.497 -0.097 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807196975 ZMYVPBOGXNNGRU-WBTNSWJXSA-N 425.917 -0.066 50 20 IBGD N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809743833 LFILZUZXUSSSRU-UHFFFAOYSA-N 427.314 -0.949 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977324 FNKYBFNMKZHLAO-UHFFFAOYSA-N 436.339 -0.354 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810358983 JVHZCVZDLVZANF-YLAKUSLOSA-N 440.928 -0.008 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829717535 USTLJRBPKWQPEW-QAPCUYQASA-N 435.974 -0.255 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1835941538 NNZGEDINFVCTEI-UTKZUKDTSA-N 448.350 -0.420 50 20 IBGD Cc1nn[nH]c1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919358 IUKYTNKGQGCFTL-UHFFFAOYSA-N 441.297 -0.281 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633022 RIQWKZYRWXEQGR-SJKOYZFVSA-N 443.298 -0.129 50 20 IBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)[C@@H]1SC(=N)NC1=O 1844264215 USHKHPIOHODDJO-GWCFXTLKSA-N 445.505 -0.695 50 20 IBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCCCC(=O)O 728510267 FROKIEKDLAUKKQ-NSHDSACASA-N 437.496 -0.514 50 20 IBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1C 741144269 OMIJIGZONHUCLV-GFCCVEGCSA-N 438.462 -0.111 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)c1cccc(C(=O)NNC(=O)Cc2ccncc2)n1 747514671 GYHPRKFYNVLLKB-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)Cc3ccc(F)cc3)cnc2n(C)c1=O 763918651 ISTWUJPMXOYJDU-UHFFFAOYSA-N 428.380 -0.900 50 20 IBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 765407951 BVVWCRFWVLFASS-UHFFFAOYSA-N 444.466 -0.178 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n(C)c1=O 765732629 QCIGNYFLUGKIGS-NXEZZACHSA-N 432.387 -0.337 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2SCC#N)n(C)c1=O 766640650 VGFBGVQBQYVUOL-UHFFFAOYSA-N 427.446 -0.489 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778436423 JRADVYONYNNKSA-LLVKDONJSA-N 425.467 -0.103 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998847 HSRHNDQPICMYBQ-UHFFFAOYSA-N 439.494 -0.576 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 819657598 DSFTVANQCOGEFX-LBPRGKRZSA-N 444.514 -0.507 50 20 IBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCC2=O)cc1OC 920825795 LAMQMPGGGCAXLL-UHFFFAOYSA-N 428.467 -0.858 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783174761 TUCYKVHFXNTMTC-VSJKDWQTSA-N 432.481 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn(C)c3c1CCC3)CCO2 1783935537 VATSCMXGURJBAX-OAQYLSRUSA-N 432.525 -0.275 50 20 IBGD O=C(Cc1ccc(O)cn1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784640813 KDYNEKVJCJOWQJ-NRFANRHFSA-N 425.250 -0.847 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C1(O)CCC1 1786978578 ADHNWJIGCUWLFR-CBVHJVASSA-N 430.310 -0.489 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789801826 YMDIBAFUWXNLKY-ATIWLJMLSA-N 430.977 -0.144 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc[nH]c3c1)C2)c1ccc(B(O)O)cc1 1795734082 BJOULMJTTROAFI-CWPLJXCYSA-N 434.261 -0.240 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799276647 PAQVCFFQIGWMRR-DNTKXJSJSA-N 426.297 -0.123 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800975663 QFRKQDPMWHHSRQ-NWJSVONSSA-N 425.873 -0.917 50 20 IBGD COC(OC)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803346243 YDYFHSANCJYNFN-SJLPKXTDSA-N 427.266 -0.300 50 20 IBGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1805323821 FTJMPMPKGCQVLT-WMLDXEAASA-N 449.475 -0.158 50 20 IBGD O=C(Cn1cncn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807599516 VBWNGKUEDGZYAM-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731276 JYMYDFOERNOLPZ-LPHOPBHVSA-N 426.901 -0.111 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833334353 SPEBBDZYUVSFHZ-HNAYVOBHSA-N 440.884 -0.290 50 20 IBGD O=C(CN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835398090 CHKHNGFTUBUODN-HOCLYGCPSA-N 438.294 -0.535 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935287 MUSFTRITUVMCCC-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 728179785 KMMOEGCBLJYIAE-CQSZACIVSA-N 432.524 -0.584 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729274914 HETKNDISUKYWPI-CYBMUJFWSA-N 448.567 -0.265 50 20 IBGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1cnn(-c2ccccc2)c1 733350125 NWSVJYPKNHDXHG-UHFFFAOYSA-N 439.476 -0.007 50 20 IBGD Cn1ncc2c(=O)n(CC(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)cnc21 744620235 HINQRMMDXWRPSE-UHFFFAOYSA-N 447.477 -0.706 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 756212992 QYMLQVCSLNZBSB-CQSZACIVSA-N 443.526 -0.173 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1I 758030147 OOKVALWNQMMGGT-ZCFIWIBFSA-N 442.235 -0.607 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc12 758036266 PUJFEVDRDZFLSN-RKDXNWHRSA-N 430.512 -0.853 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1S(=O)(=O)N1CCOCC1 763816695 KSKROUKHPDVXQA-UHFFFAOYSA-N 442.494 -0.152 50 20 IBGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229931 FMYHMMMHNPSQCJ-SSDOTTSWSA-N 436.393 -0.835 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1-n1cnnn1 764275510 MQDCOFQMFYULNF-UHFFFAOYSA-N 427.377 -0.459 50 20 IBGD O=C(COC(=O)c1cc2c(O)ncnc2cn1)NNC(=O)[C@@H]1COc2ccccc2O1 778469676 YJIZTWLXEMFHSA-HNNXBMFYSA-N 425.357 -0.125 50 20 IBGD COc1ccnc(NNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 806983893 IVDWOBVVTYJDEC-OLZOCXBDSA-N 426.433 -0.036 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(C(F)F)cc2)n(C)c1=O 808098598 QPSLOKRVXKAGKC-UHFFFAOYSA-N 442.404 -0.619 50 20 IBGD COCc1nc2n(n1)C[C@H](NC(=O)NNC(=O)C1CCN(c3ncccn3)CC1)CC2 1319158736 ZLPCFMCLHBUENN-CQSZACIVSA-N 429.485 -0.224 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778592939 IAJBRWJOWDQFNV-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036954 KFLCIKAMSQZTIH-ZUOKHONESA-N 449.464 -0.310 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062762 QGMITRIKHDYCMG-ORAYPTAESA-N 435.868 -0.213 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccn1 1786981066 ODYMMPCPGVVTSM-WDSOQIARSA-N 439.277 -0.323 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981897 OSPJZUCPIVMNJT-WDSOQIARSA-N 444.293 -0.531 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926425 XIUYTRMMHJOWEZ-PDWCTOEPSA-N 438.294 -0.192 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)CC1 1791294967 ZOXCMXBINGWRMK-KKUMJFAQSA-N 435.352 -0.066 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2C1 1791404514 UENKMFKBNXNFTO-IQLMPHEPSA-N 430.310 -0.489 50 20 IBGD C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793342875 XIALEODMYQXEKI-YGADERNFSA-N 429.477 -0.252 50 20 IBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793836977 FDZSEEIKFWWISJ-JLVBRIDZSA-N 447.630 -0.842 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(O)n1 1794761464 ZLDCBKNXDMBKHC-DPIQGUFMSA-N 426.433 -0.697 50 20 IBGD C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795604642 QVFQAOMAWXCKEF-DFYYWFRZSA-N 438.293 -0.535 50 20 IBGD CC(C)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(C)C 1797750432 CFPPXTNODPEPND-QXGSTGNESA-N 446.552 -0.089 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c2c(nn1C)CCC2 1800049759 LRZBJPYRZGSCSE-HBCWATKFSA-N 432.525 -0.515 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1808409043 KVEZMIRAKNNXKQ-KWFKABMGSA-N 428.449 -0.468 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978767 PODYRXVGDAVHOM-IBGZPJMESA-N 445.325 -0.638 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825995164 UFYWXOIXWCOXRW-BDAKNGLRSA-N 429.886 -0.139 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830866961 NXJDMIQBLZEAOT-CVMHLPAOSA-N 449.508 -0.406 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741805 CCOMUEBDLIKSDL-HXUWFJFHSA-N 432.481 -0.671 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839963943 AVVFJCJLRSZXQI-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840580424 JAMGEOQDDMZGCB-DNVCBOLYSA-N 428.555 -0.289 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206586 FNDBTLFIDXFXIC-UHFFFAOYSA-N 429.355 -0.392 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)Cn1cc(Br)c(O)nc1=O 725740772 HLKUEIGHAVUZIW-UHFFFAOYSA-N 430.240 -0.650 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1N1CCSCC1 764230703 JWZLUYGMCVYLQD-LBPRGKRZSA-N 443.551 -0.428 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 764434636 QYZAEBVPMBUGQT-SJORKVTESA-N 442.476 -0.169 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 783702062 QPFYIEFUSRVXCP-INIZCTEOSA-N 438.506 -0.592 50 20 IBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788895842 JUJXRSMEALVZFN-CYBMUJFWSA-N 441.510 -0.482 50 20 IBGD Cc1ccc2[nH]cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(=O)c2c1 804458389 DRYXMEYCUDGOLG-UHFFFAOYSA-N 437.416 -0.955 50 20 IBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 807149700 FGRAYKJDVGXORF-UHFFFAOYSA-N 429.275 -0.200 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccnc(S(C)(=O)=O)n1 816828544 IORONEJAKMRAOJ-UHFFFAOYSA-N 426.480 -0.444 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816887379 YIYGDTMUWVURRN-UONOGXRCSA-N 449.512 -0.106 50 20 IBGD COCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 920504211 RUHDYFQTMSFILL-UHFFFAOYSA-N 442.476 -0.142 50 20 IBGD CN(C)CCN1CCC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1115853906 RZIZPMIFFFSEGU-UHFFFAOYSA-N 425.559 -0.050 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@@H]1SC(=N)NC1=O 1778076863 FBWNWWFYONPLFQ-DQXMMCHESA-N 446.957 -0.098 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032613 VQPCZLLHIYUAMA-IERDGZPVSA-N 431.493 -0.298 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)CC1 1781330534 YVABHGAZTKOPHR-RDJZCZTQSA-N 449.321 -0.329 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21)[C@@H](O)CCl 1784091556 XLAOPESHPJBIOR-JURCDPSOSA-N 435.868 -0.718 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C[C@@H]21)c1ccc(B(O)O)cc1 1786983942 XBJDHEYRBSNLFM-UGRKVPRCSA-N 428.319 -0.165 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1)C2)c1ccc(B(O)O)cc1 1795732599 AQSIGHDNGCOICM-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD O=C1Cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)c2N1 1795740515 DGHFGCOBADWTKP-CWPLJXCYSA-N 449.272 -0.622 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccn2cncc12 1797522123 DWNPISRQWBEJTP-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(CS[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797791644 OGLWFNPSZHLRMJ-JSJNYSNDSA-N 448.350 -0.171 50 20 IBGD O=C(Cn1cnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800888422 XCTWONXPSPTZAQ-FAQVEIGNSA-N 448.288 -0.381 50 20 IBGD O=C(CC1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935947 YINQYKQFHTZGCQ-QFIPXVFZSA-N 446.309 -0.747 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839967478 NOHZARVRXJEOJM-WBMJQRKESA-N 436.303 -0.028 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840356423 QCKJYGQFXAKVSH-INIZCTEOSA-N 430.303 -0.090 50 20 IBGD O=C(CCc1ccoc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840513964 BPQUBRMARPQIKK-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 734240913 WNCARYDEMODHMQ-UHFFFAOYSA-N 428.471 -0.661 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC1CC1 757864599 IUSPWNIXGHZWDC-SNVBAGLBSA-N 433.512 -0.474 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 758036860 WGFYZKJDIZCOAD-ADLMAVQZSA-N 437.478 -0.930 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 758038012 BTROTCZWTQWXSR-CQSZACIVSA-N 441.510 -0.974 50 20 IBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764153524 LEFXWQNEZIIADU-MRXNPFEDSA-N 437.412 -0.172 50 20 IBGD C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)NC(=O)C1CCCCC1 765728414 QMDSILHCUIACST-LBPRGKRZSA-N 447.496 -0.944 50 20 IBGD CC1CCN(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 767403275 KIIJBPDCUYFIBE-UHFFFAOYSA-N 438.506 -0.273 50 20 IBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 784915810 OTVHUDBCZMEGOR-UHFFFAOYSA-N 447.901 -0.008 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 788022762 HJPQLZCTDZYHSN-ZIAGYGMSSA-N 445.519 -0.660 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 801108020 DLAMGSNKMLBYTI-UHFFFAOYSA-N 439.476 0.000 50 20 IBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC 920212433 KEXMBQABWRBURP-CYBMUJFWSA-N 442.494 -0.269 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1322948203 DXUBRTMSOOVECB-LBPRGKRZSA-N 446.555 -0.486 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783933197 DYDMEIACPMTGIR-NRFANRHFSA-N 448.524 -0.663 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936315 UMCCDTHFHMFOKW-FOIQADDNSA-N 425.530 -0.506 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784523839 IYBOFRVQSCXQSH-VGWMRTNUSA-N 446.570 -0.980 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785027817 ZVYFLHBTAQIWGH-VOAKCMCISA-N 445.314 -0.451 50 20 IBGD O=C(CCN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792312426 MARDLBXAXVMZJR-IHPCNDPISA-N 429.326 -0.554 50 20 IBGD Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)nc2ccccc21 1792978382 SOJASRFQEXVFBB-VZAMPYOESA-N 434.880 -0.264 50 20 IBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1795957803 NLPKYBVVPWISMF-DPIQGUFMSA-N 427.465 -0.512 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802615173 VOLPYFZAPHIGSY-WWMYMODYSA-N 444.536 -0.013 50 20 IBGD O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1803642202 CPSNKZBHLGLKMW-SZMVWBNQSA-N 438.249 -0.811 50 20 IBGD CC(C)CNC(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340219 GPMOBEFYKTYLNW-AWEZNQCLSA-N 444.322 -0.179 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733416 LSABUTXASAORNX-KSSFIOAISA-N 430.841 -0.527 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836974194 PUPXDZHGAWLVMU-LPHOPBHVSA-N 426.901 -0.111 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715994 VSFCYHQPKXENCK-SFHVURJKSA-N 446.646 -0.222 50 20 IBGD Cc1nn[nH]c1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920382 RHROKCZSOJJYNU-UHFFFAOYSA-N 441.297 -0.281 50 20 IBGD CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1838134997 MXQRQEFIIRJOBJ-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD C/C=C/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839835200 CUBRFTVZNYJAOO-YFMDCFRWSA-N 429.477 -0.113 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840155706 GWDKDYDXFOVXTO-JJRVBVJISA-N 438.930 -0.726 50 20 IBGD O=C(O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840193552 LBHANSSZVHABFC-OCCSQVGLSA-N 443.291 -0.049 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C 727240570 QAVXJMZKXVAKCF-UHFFFAOYSA-N 440.526 -0.850 50 20 IBGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)c1ccc(-n2cnnn2)cc1 729628280 AINZXWKQLJKZGW-UHFFFAOYSA-N 443.445 -0.568 50 20 IBGD CCOCCCn1c(NNC(=O)CN2CCS(=O)(=O)CC2)nc2ccccc2c1=O 733269043 XUVPHNWCSOIFLB-UHFFFAOYSA-N 437.522 -0.003 50 20 IBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cn1 735446431 XHAXTQSYMINHBT-CYBMUJFWSA-N 433.446 -0.182 50 20 IBGD O=C(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1cccs1 753641564 XNFJJKSSBCMRBF-JTQLQIEISA-N 442.475 -0.782 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc12 758036265 PUJFEVDRDZFLSN-IUCAKERBSA-N 430.512 -0.853 50 20 IBGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1[C@@H](C)C1CC1 758045329 IFESJMAUGVSCGQ-NSHDSACASA-N 443.468 -0.237 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 758046800 UGTVIQIPGWZTKX-NSHDSACASA-N 434.540 -0.397 50 20 IBGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 763996091 BMXXFRAKPNYTMY-QMMMGPOBSA-N 434.268 -0.022 50 20 IBGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764229892 DHFLHSRBJJMQDK-LLVKDONJSA-N 427.483 -0.904 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 765310206 CUUQNKKXMLCFIV-BHTHQVBYSA-N 438.481 -0.009 50 20 IBGD Cn1c(=O)ccn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1=O 765758010 ZMZGSQCDEINOPD-UHFFFAOYSA-N 448.911 -0.834 50 20 IBGD Cc1cc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n[nH]1 768275985 HNBOXOWLCUETGT-CYBMUJFWSA-N 443.507 -0.739 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cn1 770243429 USSVXTIXAOJYCZ-UHFFFAOYSA-N 430.487 -0.199 50 20 IBGD Cn1cc(-c2n[nH]cc2C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 781406770 ZKQRPFFWSCDHJG-OAHLLOKOSA-N 426.389 -0.046 50 20 IBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783423906 BIQGCLGINRQJIS-KXBFYZLASA-N 438.506 -0.495 50 20 IBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 793217752 PHHWIBWEEUDTFT-UHFFFAOYSA-N 448.480 -0.678 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778970870 GMMVAGQZQBYCBF-HRAATJIYSA-N 431.493 -0.298 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnn2)C1 1779654233 XJTAPMKBITZPKD-DYESRHJHSA-N 439.476 -0.084 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)c(=O)nc1O 1783536415 DSVMZLORVWLUDM-PXAZEXFGSA-N 443.298 -0.129 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785525065 ITLFKIKVAWQCNR-HXUWFJFHSA-N 426.514 -0.221 50 20 IBGD CCn1nc(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739067 SXBRGNRKRPSYQT-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748655 QDPJVBRDDUKYKP-HBCWATKFSA-N 442.476 -0.264 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1c1cccnc1 1813069805 BZFDZWYTFXYPJE-YJBOKZPZSA-N 428.497 -0.097 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826938297 SYDXGDNRHJLLRT-DLBZAZTESA-N 438.573 -0.428 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310337 QRKXBQZRJYZGFO-HOCLYGCPSA-N 434.921 -0.778 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835704047 JRGHJBWZJOZCNA-BBRMVZONSA-N 431.965 -0.135 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931186 IAMRAWVVKNHIFG-IIBYNOLFSA-N 447.297 -0.763 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938112 MBVOIFPPEQDKNS-IERDGZPVSA-N 434.298 -0.750 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939814 JFQREJKMOOMGKR-JTSKRJEESA-N 446.309 -0.747 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837366869 MMLCTDYDTDGJLR-BZNIZROVSA-N 431.287 -0.508 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837459442 PCGCEYPFSFYUGN-LAUBAEHRSA-N 445.476 -0.552 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1837937880 WHLWDERPSXURLM-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838330840 JWIOTWHDQYEYSN-INIZCTEOSA-N 432.264 -0.551 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839142315 MBHSPEZBKBFURT-IFXJQAMLSA-N 427.885 -0.225 50 20 IBGD O=C(CCc1ccoc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840514092 KEPDDELDDHKSFV-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1843415963 IVHGPDFICTXHLY-FOKLQQMPSA-N 427.421 -0.161 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848013094 NOSYLTGAQOFEAM-QWRGUYRKSA-N 447.345 -0.144 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 16593995 NFZJEJRGAWOYKX-SFHVURJKSA-N 437.478 -0.582 50 20 IBGD Cn1nc(C(=O)NNC(=O)CCOc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 726379875 UAPUBLROENQTJR-UHFFFAOYSA-N 445.457 -0.189 50 20 IBGD Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(N)(=O)=O 728320638 KBNPOWADQUAQLW-OAHLLOKOSA-N 449.441 -0.213 50 20 IBGD O=C(O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 731104321 GVUUZCISNRDBQZ-MRVPVSSYSA-N 441.281 -0.109 50 20 IBGD COc1ccc(Cl)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755343721 GPKRIFXGLJUMKX-UHFFFAOYSA-N 435.828 -0.051 50 20 IBGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1[N+](=O)[O-] 758057024 UUGXFONQHKGINB-FZMZJTMJSA-N 441.466 -0.407 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nc2ccccc2c(=O)n1C 763046449 AVIIDYROFGFMGW-NSHDSACASA-N 444.473 -0.158 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccn(CCN2CCOCC2)n1 763578942 RUUDVUNYYKHMDW-INIZCTEOSA-N 444.448 -0.859 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 764225599 AZPGEXPRUWIRND-JTQLQIEISA-N 442.885 -0.392 50 20 IBGD O=S(=O)(CBr)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 767852380 YELOAJUEILECNF-UHFFFAOYSA-N 448.361 -0.630 50 20 IBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1CCNC(=O)C1 781400934 NAHBLHGREQGUBL-NSHDSACASA-N 428.287 -0.021 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCN2c2ccccc2)n(C)c1=O 787439757 KPODWFALUYVPLL-AWEZNQCLSA-N 425.449 -0.750 50 20 IBGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 792793632 XCHLYJKPHOUYDB-UHFFFAOYSA-N 427.483 -0.333 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 918779221 HDJDUBILWYYZJA-UHFFFAOYSA-N 426.393 -0.032 50 20 IBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CC(F)(F)F 1319372696 NPORLWAQUXDEEB-LLVKDONJSA-N 445.441 -0.132 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032617 VQPCZLLHIYUAMA-KKSFZXQISA-N 431.493 -0.298 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21 1788610782 ACXBPCYBGAVQHM-USJZOSNVSA-N 431.493 -0.295 50 20 IBGD C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789891575 FHLNYEYFKWEPBL-ULQDDVLXSA-N 438.525 -0.152 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnn2c1CCC2 1790388953 VGNXSCFJDINBJP-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793369369 GCAJBKQVONGUEO-HHHUOAJASA-N 429.308 -0.053 50 20 IBGD COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1F 1795908856 HZDRJVKCMGBUBF-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2c(c1)COC2 1797013169 DHZSTZLXTDZQHV-CEQLMSFQSA-N 436.273 -0.086 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@@H]2C[C@H]2C1 1797633742 CLFMUOJEKPDMFW-DRVLGICASA-N 442.520 -0.772 50 20 IBGD COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749683 JRVNSXFNYYDBDK-JJLQDPRZSA-N 441.448 -0.999 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753628 CSHKGWIRSBPGNL-NFFDBFGFSA-N 449.464 -0.550 50 20 IBGD O=C(CCN1CCOCC1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809583010 ABPCBIYZWXBBOU-UHFFFAOYSA-N 443.353 -0.067 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298143 GOJCWDOJAKKOHP-WMLDXEAASA-N 449.475 -0.158 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CN1 1817476976 JKFVJWTZDSMWIN-CZUORRHYSA-N 425.254 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1826085054 BDDCBKZDTCQKLJ-NSHDSACASA-N 436.542 -0.732 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cc21 1834562616 ZWUPFSLDYPHUSE-DYVFJYSZSA-N 429.836 -0.769 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1835935056 DDKHQEVSTFJBNT-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(c1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835937963 CKNBCEIDGBYPAB-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2ccc(O)cc2)cc1 727483388 PDQPWOVDQMHSMB-UHFFFAOYSA-N 434.474 -0.101 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 732196289 CHXSTPLLIQJGSV-JYJNAYRXSA-N 433.575 -0.460 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 732196290 CHXSTPLLIQJGSV-OAGGEKHMSA-N 433.575 -0.460 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 748620337 WMRSSVABLINSTF-CYBMUJFWSA-N 431.490 -0.552 50 20 IBGD Cn1c(CC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)nc2ccccc21 750662626 YMHJYLXVEGZQMG-UHFFFAOYSA-N 435.466 -0.446 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)co1 756405181 PMNGLMJEMXRBQL-CYBMUJFWSA-N 439.402 -0.668 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3cc4c(s3)CCC4)cn2)CCN1 763784270 DYAFITHOCHTRNH-UHFFFAOYSA-N 428.474 -0.032 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 763818297 GDLAGKKMAIILLP-NRFANRHFSA-N 436.428 -0.648 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2O)c2ccccc2O1 764278136 SGMULNAVHIWNBA-MRXNPFEDSA-N 428.401 -0.541 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 765734860 DRXOLLPXOQQEPP-UHFFFAOYSA-N 449.489 -0.593 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3ccccc3F)on2)n(C)c1=O 766643837 KRZNDSWDKSLGQZ-UHFFFAOYSA-N 441.379 -0.311 50 20 IBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 770106162 AORCPXWTVCYFGP-HIFRSBDPSA-N 443.478 -0.519 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 784002013 ILANDXZBQOUOLH-UHFFFAOYSA-N 433.396 -0.229 50 20 IBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 808068190 NAAQUFWABMUHMF-UHFFFAOYSA-N 443.507 -0.627 50 20 IBGD O=C(Cc1ccccc1)NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 831528439 PDQIWQDROOYEKQ-KRWDZBQOSA-N 427.413 -0.124 50 20 IBGD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1779032277 IEWAILMWMKZMDB-NRFANRHFSA-N 441.492 -0.262 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1779295249 CEQWZMZONMDUJY-QGZVFWFLSA-N 435.517 -0.892 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262397 OMHATFMVCYUXPK-YOEHRIQHSA-N 436.347 -0.724 50 20 IBGD CN1CCC(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786981833 AXWBQZHHTRUBNI-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccncc1F 1787755387 WLCBNTQJUZSUNJ-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD Cn1cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)ccc2n1 1795735864 HGJFMKSDBAFNTR-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799349724 CCLIIKYFMJVYEH-AICCOOGYSA-N 449.932 -0.549 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1801011716 XFTDMCKXDAJZOV-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012090 BQGSUBYTQHAPBH-MFCZKXCZSA-N 433.509 -0.189 50 20 IBGD Cn1ncnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337478 SQDMNHXYYRMRJZ-GFCCVEGCSA-N 426.267 -0.509 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344255 QDHFKKUFHRPHHZ-SMDDNHRTSA-N 442.306 -0.261 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)COCCO)CC1 1830371744 HUFOAUHUOMHNMX-GOSISDBHSA-N 433.509 -0.073 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833311720 BMLGJAKTEGKLDA-AWEZNQCLSA-N 438.916 -0.640 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835735782 KYLWVBRIJDGFQT-PBFPGSCMSA-N 449.346 -0.933 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214560 RCFOJPDYRNXHKQ-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCCC3)C2)C1 1837456717 MSBBEFQOTJYIEA-NRFANRHFSA-N 431.493 -0.055 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840153548 SDWWXEUUQYWFFB-KXBFYZLASA-N 440.884 -0.270 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673679 RAHAAQJOWKZLME-UHFFFAOYSA-N 448.443 -0.781 50 20 IBGD CCCCn1nc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2c1=O 749811583 CLPVXDSDDSVXAQ-UHFFFAOYSA-N 425.449 -0.060 50 20 IBGD CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 750407498 GPSLLUJQOOFYBJ-INIZCTEOSA-N 449.441 -0.184 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 763681393 LDLLMBSBXHUDMP-UHFFFAOYSA-N 432.437 -0.465 50 20 IBGD Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 764022664 YJEYQHQBBYCKTC-LRDDRELGSA-N 431.401 -0.046 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 764231352 OUVUUJPCFBDNSK-JTQLQIEISA-N 427.483 -0.762 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 764421010 INZBKKMKTZGNKG-QCQGSNGOSA-N 438.506 -0.132 50 20 IBGD CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766644838 QHTYDOWJPBMGDJ-ZDUSSCGKSA-N 428.449 -0.253 50 20 IBGD C[C@@H]1CC(=O)C[C@H](C(=O)NNC(=O)c2ccccn2)[C@H]1C(=O)NNC(=O)c1ccccn1 791121714 NKMFBEJNVJQIFK-IFIJOSMWSA-N 438.444 -0.070 50 20 IBGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919883534 DMKBIVYQQKFISV-ZDUSSCGKSA-N 432.524 -0.153 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnn2c1OCCC2 1326406808 NLNYRWCDVOAQMA-UHFFFAOYSA-N 428.496 -0.110 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778473413 AJXQOBWYZWUXPQ-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031177 MZIMRXFBXQOHSU-YADGQWAMSA-N 431.449 -0.752 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037383 YZVGVCSLHXJJDD-VBKZILBWSA-N 432.481 -0.071 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1 1783868849 GFTAPOMNJHGHSO-PJODQICGSA-N 437.405 -0.576 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nn(C)c3c1CCC3)CCO2 1783935533 VATSCMXGURJBAX-NRFANRHFSA-N 432.525 -0.275 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784084150 MGNZJPDYPWNNDA-AHDPXTMNSA-N 449.932 -0.549 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138375 NCBGPXYDGDKJFR-JYJNAYRXSA-N 439.513 -0.819 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247466 CEBYVQJJUUJULW-FJIDUMEYSA-N 444.960 -0.616 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)[C@H](O)N1CCOCC1 1788654703 CAWWJYHXKPRFTF-YTORKDELSA-N 438.294 -0.693 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ncc(Cl)cn1 1794538707 JHPMHBGTTBFAJA-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)c1)C2)c1ccc(B(O)O)cc1 1795732516 OLVPYSYSLXDAQP-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD O=Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795737542 SVMHZQZWBDLTGX-ZSBFGKGUSA-N 428.275 -0.243 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2c[nH]nc12 1796175410 VHXFGLVDXDBRSQ-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441274 RKGZEZGUMGHBMK-RBZXCYDUSA-N 435.481 -0.627 50 20 IBGD Cc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1796658228 BBDOPRDWVAMCJD-FVCICTRLSA-N 425.449 -0.699 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748720 XEFUAQPKFYRKLY-XOIINTDNSA-N 446.508 -0.949 50 20 IBGD CCn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1C 1798230668 LYDYNGRPBFNSMM-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1F 1801013381 RKURMFWSWOWHMM-IVWMJMPLSA-N 437.472 -0.195 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370692 IUKFADSAYMWWLS-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD O=C1CC[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)N1 1814400903 FXAJZJDGCYAAKW-TZMCWYRMSA-N 428.279 -0.673 50 20 IBGD O=C1NC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)O1 1815336743 BNKSNQNUBVUKSL-AAEUAGOBSA-N 430.251 -0.843 50 20 IBGD O=C(Cn1cccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815710392 AYJFXCLTIPVIIP-CQSZACIVSA-N 425.279 -0.055 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1822414447 UBFCMHUFVGGCOL-OCCSQVGLSA-N 436.517 -0.632 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830537585 KWKQVEXXOWFGLL-SWLSCSKDSA-N 441.344 -0.482 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712528 DAMVEDYMFHSPDG-HNNXBMFYSA-N 443.932 -0.636 50 20 IBGD CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835257931 XWRLLWLLRVIMLF-YPMHNXCESA-N 431.280 -0.822 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840032100 NUJLUMCBUZOKNL-SUMWQHHRSA-N 432.315 -0.151 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1840444221 GVDDLJUCIPZEKB-OXJNMPFZSA-N 436.513 -0.727 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cnc2c1 1843011282 OFVBVOWZNMAVSH-UHFFFAOYSA-N 446.272 -0.186 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)COCCO)C2)NC(=O)NCc1ccccc1 1845039167 LWGQTCPZEGXRPV-UHFFFAOYSA-N 433.509 -0.455 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(CS(N)(=O)=O)cc2)n1 728730986 KIPYHFZAKZKSKN-UHFFFAOYSA-N 426.476 -0.213 50 20 IBGD C#CCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756480191 SUFGYNVDNPCFAI-UHFFFAOYSA-N 425.405 -0.701 50 20 IBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 763681087 JWEURRUIMFIOPV-UHFFFAOYSA-N 425.401 -0.152 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763818804 PGTNLCBQGQZCOB-UHFFFAOYSA-N 435.462 -0.803 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c2ccccc2O1 764132818 XNPGIXCKLGSCMH-OAHLLOKOSA-N 428.401 -0.298 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@]1(O)CCSC1 765546679 ZZBPRCNEKMACRZ-GOSISDBHSA-N 443.547 -0.345 50 20 IBGD COc1ccc(COCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765725047 PKKAEXOCOVRFPM-UHFFFAOYSA-N 444.448 -0.803 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n(C)c1=O 765729782 GNSHHKIFXROINE-UHFFFAOYSA-N 435.784 -0.544 50 20 IBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 793449346 AQDLQPWGQBUMMR-LBPRGKRZSA-N 442.523 -0.462 50 20 IBGD Cc1nc2ncnn2c(C)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 801437729 LCPDWXABFDKAML-CQSZACIVSA-N 426.389 -0.115 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 810106353 LGSXEESGSRESBL-UHFFFAOYSA-N 436.471 -0.299 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCCO2)o1 817214812 MHCSQRWZVFIRRO-NWDGAFQWSA-N 429.451 -0.064 50 20 IBGD CCN1CCN(CC(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)C(=O)C1=O 919147972 SPGOZJGOKQSCBK-UHFFFAOYSA-N 440.840 -0.657 50 20 IBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 1322530616 XNVPQRSYXGTVQD-UHFFFAOYSA-N 447.558 -0.642 50 20 IBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778857438 JMOVDVTZQSPFCX-XNGFIGEISA-N 427.310 -0.850 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1779030237 LEYXVRQCEWQKHQ-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)(C1)C2 1783442481 CHARRYAPGIDSER-LZBANZJXSA-N 442.277 -0.847 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccc1C=O 1795734799 REPLGQKHXJJJKY-REGYPHIPSA-N 439.277 -0.555 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cccc(B(O)O)c1 1795739009 MAIWRRSVPGWIOY-RMFSNUHRSA-N 440.305 -0.732 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nnsc1C1CC1 1796641346 MELOZXCQDZUWKP-MIFYACCESA-N 442.306 -0.388 50 20 IBGD CCOC(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)OCC 1797754213 NTAOAVBQJKEZBF-HBCWATKFSA-N 449.508 -0.323 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)CC 1800641616 FTFYYCWJJCRUGC-ZUDIRPEPSA-N 436.303 -0.186 50 20 IBGD COC(OC)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362019 YSCNMZAPCNIBIU-AEFFLSMTSA-N 427.266 -0.300 50 20 IBGD O=C1C[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCN1 1815361539 JHFCMLBAZXTTNZ-GXTWGEPZSA-N 442.306 -0.425 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815669496 KHICBZIULLPNMR-KBPBESRZSA-N 447.945 -0.268 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667170 NQRBWBURPADMIM-VIFPVBQESA-N 428.430 -0.545 50 20 IBGD N=C(N)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1826831070 RJSWNZVALYOTLV-INIZCTEOSA-N 430.513 -0.599 50 20 IBGD O=C(c1nn[nH]c1C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730729 CHNOENAPSDWPKN-XPTSAGLGSA-N 441.794 -0.507 50 20 IBGD C/C(=C/C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(=O)O 1834800313 CQCZRHOWTJUTDA-PFONDFGASA-N 443.309 -0.418 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838405375 SQFJHNBPTHZSQO-XLIONFOSSA-N 447.960 -0.111 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838640759 UTQIBBFOOIBHMM-WFASDCNBSA-N 433.234 -0.470 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840150012 DJIVYXSPBJBCIX-KDOFPFPSSA-N 430.889 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1840150860 SFLXBONYTJKXTH-IFXJQAMLSA-N 442.900 -0.289 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840155177 RTMOBTHTZFOTMV-HNAYVOBHSA-N 442.900 -0.011 50 20 IBGD Cc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183942 JEYWBMQEZGWLBV-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416847 HHLTYHGOMRTPNL-YDZHTSKRSA-N 433.538 -0.192 50 20 IBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN(C)C)CC2)cc1OC 727761644 WNBBKAIEXANVGY-UHFFFAOYSA-N 428.511 -0.187 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)nc2n(C)c1=O 728845528 LBTUQNNJTGMJIA-UHFFFAOYSA-N 438.448 -0.900 50 20 IBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1cn2ccccc2n1 746545756 VBCASTWSLDBWGU-UHFFFAOYSA-N 446.489 -0.303 50 20 IBGD COC(=O)c1coc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 753948621 BYARDWUVDKZWRV-UHFFFAOYSA-N 431.448 -0.060 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cn(C)nn1)c(=O)n2Cc1ccccc1 755553817 FWVKVSKHTNSKEI-UHFFFAOYSA-N 435.448 -0.293 50 20 IBGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764435514 WFOUYYVDYNWWAB-QGZVFWFLSA-N 435.481 -0.662 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)cn1 764467204 TUVAVQQGFSSDMQ-UHFFFAOYSA-N 441.491 -0.493 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1 768281466 KVOKCZGGCRISDW-LLVKDONJSA-N 447.477 -0.053 50 20 IBGD Cc1ccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c(=O)n1C 787345639 KOTPOEWLMGKTTI-UHFFFAOYSA-N 449.537 -0.149 50 20 IBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)CNC(=O)OCc1ccccc1 795664122 VJDUMBPSXITMCP-UHFFFAOYSA-N 426.437 -0.060 50 20 IBGD NC(=O)c1ccccc1NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 808582410 ANCBNLSQGYXERR-INIZCTEOSA-N 428.401 -0.272 50 20 IBGD O=C(NCCN1CCOCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 915884908 RFQDSOIJONMFLB-UHFFFAOYSA-N 425.511 -0.253 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783580343 PESGTVKXUJLIPQ-RUGDWHBFSA-N 446.508 -0.807 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cncnc3)[C@H]2C1 1785389058 JJPNGQYMSASUAC-WBAXXEDZSA-N 439.476 -0.689 50 20 IBGD C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(F)(F)F 1786983349 OBXAHSQTUZKXSU-ADOMEBDSSA-N 444.215 -0.727 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21)c1cccc(B(O)O)c1 1786985215 RTQWSOBOHYPTKC-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1792868997 XXRJRKPQQUYFAI-CFDXXZMTSA-N 431.287 -0.795 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OC(C)(C)C 1800597341 QJCOUEFVFICGAR-LOUJCGABSA-N 441.529 -0.159 50 20 IBGD O=C(Cn1cccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807635152 WFEUQMBQCJMBIR-WIYYLYMNSA-N 433.277 -0.022 50 20 IBGD CN[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)C(=O)O 1822414299 RKJHAMHTXVRSNM-ZIAGYGMSSA-N 437.501 -0.163 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1826087453 COVLHGALWLTZSI-JTQLQIEISA-N 449.541 -0.239 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830538819 RACQOXAMFLIIEJ-DOMZBBRYSA-N 431.291 -0.840 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3ccnc3)CC2)CC1)c1cccc(B(O)O)c1 1834801144 RKMFNIKXBBLYJI-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837355903 KKPFYKYQKMXYFQ-BZNIZROVSA-N 431.287 -0.650 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840155175 RTMOBTHTZFOTMV-BEFAXECRSA-N 442.900 -0.011 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190945 WZHRBBKXJXVZAC-INIZCTEOSA-N 425.313 -0.381 50 20 IBGD COc1ccc(CCNC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 18945200 RDKWWEHRQYRYBB-UHFFFAOYSA-N 438.535 -0.682 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 741175788 NRJSQMMMHYLBGC-LBPRGKRZSA-N 446.503 -0.406 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c1 749807295 NRQGERTYALTBRL-UHFFFAOYSA-N 436.494 -0.539 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nnc(C(F)(F)F)s2)n(C)c1=O 755483353 FDDQGIHXPYQTIT-UHFFFAOYSA-N 447.359 -0.843 50 20 IBGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1)NC1CC1 763570552 FPJFEQFZFKTMOB-HNNXBMFYSA-N 428.405 -0.912 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 764231706 OVXIYCLQXSWSQH-SNVBAGLBSA-N 427.483 -0.762 50 20 IBGD CC1(C)OC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)O1 783274457 GOROQSMWZYNANP-CQSZACIVSA-N 442.494 -0.197 50 20 IBGD Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(O)nc1=O 916096017 BHLIGCABTIAXBH-UHFFFAOYSA-N 435.462 -0.265 50 20 IBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CN2CCCC2=O)cc1 920433558 VMQUKISHWQAZRY-OJXHRBAXSA-N 427.461 -0.441 50 20 IBGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 1116838682 CLCPDSAWIPFMLU-UHFFFAOYSA-N 427.464 -0.215 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1248595814 QJRKWABHJBXJEB-GFCCVEGCSA-N 431.540 -0.832 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1782179244 ISTWYOVVJKDWCK-SNUQEOBHSA-N 433.889 -0.703 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1787508885 OGSJHMFTPFTXRC-SMKMMKTPSA-N 441.492 -0.003 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnn2ccncc12 1788032740 KSURAKNCQFRHJX-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794227748 MUKCZODKPBHRKG-UOEJNGGWSA-N 428.453 -0.848 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccccc2n1 1796828967 IWRGHUTUPCGYQS-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD Cn1cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc2n1 1799912129 WBDJMAVZZFQDIY-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801370706 QVLAVZOKDWGDGR-VYCZESIESA-N 426.282 -0.898 50 20 IBGD COC(OC)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803346242 YDYFHSANCJYNFN-FUHWJXTLSA-N 427.266 -0.300 50 20 IBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)C(=O)O 1807209219 LKQZRKHQOKYCRB-YRNRMSPPSA-N 448.524 -0.477 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cnnn1 1813471723 ADUUGPJYRYKKMN-IDHHARJASA-N 443.512 -0.292 50 20 IBGD O=C1NC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)O1 1815277899 SHPBPGSGTHFDLY-CABCVRRESA-N 427.226 -0.496 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnn1)CC2 1819797270 SCHRBOYMYBEUBK-JTQLQIEISA-N 441.477 -0.341 50 20 IBGD CN[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1826940128 DXTGMTNNNWUJPW-MOPGFXCFSA-N 445.325 -0.338 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nc1 1835929373 MUILIUTZMCXCRE-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1836234294 QBXBPTKPLSGEOD-FZKQIMNGSA-N 431.848 -0.101 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837468074 ZGXZKIKVTJPEOF-SUMWQHHRSA-N 436.962 -0.819 50 20 IBGD COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837922124 OAIXWLAJVZLBDN-UHFFFAOYSA-N 447.297 -0.665 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845769528 RWRZIKLPOKONCS-HNNXBMFYSA-N 436.277 -0.603 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845912653 LJTFNQXVJKRUDZ-PCXKXAPESA-N 435.506 -0.099 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728380017 MJJXOWANKITRQQ-OCCSQVGLSA-N 449.576 -0.331 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCN(C2CC2)C1 734285150 GTVAQPAPBMAARY-HNNXBMFYSA-N 437.522 -0.112 50 20 IBGD CCCn1nc(C(=O)NNS(=O)(=O)c2cnn(CC(=O)OC)c2)c2ccccc2c1=O 742255930 YRDDOCBLKIVQGO-UHFFFAOYSA-N 448.461 -0.201 50 20 IBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619873 BIWHEBJCAGXBFU-CQSZACIVSA-N 432.524 -0.425 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764281100 XUTUFRQKGPXFLB-UHFFFAOYSA-N 436.446 -0.193 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(C)c1S(=O)(=O)NC1CC1 764425668 QAARQADXJDVWNG-CQSZACIVSA-N 440.478 -0.755 50 20 IBGD Cn1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(Cl)c1Cl 766644618 OOQSZKAMSGTCFM-UHFFFAOYSA-N 428.236 -0.460 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 767373425 MOGHBUAACTUXTJ-ZDUSSCGKSA-N 437.478 -0.671 50 20 IBGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cn2)C[C@H](C)O1 784004199 KHHQZJRIFNLXQI-STQMWFEESA-N 444.448 -0.196 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC3OCCO3)CC2)cc1 793682608 PKBBTEKDXJWUPQ-UHFFFAOYSA-N 426.495 -0.788 50 20 IBGD N#Cc1cncc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 811689870 OAEDSTGJMHUQAM-UHFFFAOYSA-N 428.474 -0.279 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C(=O)C1=O 819658278 KVBFTNRPITVRQS-ZDUSSCGKSA-N 425.486 -0.528 50 20 IBGD COCCN1C(=O)/C(=C\NNC(=O)c2cccc(S(C)(=O)=O)c2)C(=O)NC1=S 1317820703 DCZZSFBHOLFJJL-XFXZXTDPSA-N 426.476 -0.902 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779065298 ZBAZCZQANUIWTJ-QHCPKHFHSA-N 440.305 -0.492 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncnc1)C2 1779370975 ADVFRPPYNHLOEJ-DYESRHJHSA-N 439.476 -0.084 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961691 WTQJZBGERFXJMN-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H]2C1 1785220856 LMIMZBSFASRCJS-KKXDTOCCSA-N 441.492 -0.366 50 20 IBGD CC(C)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(C)C 1786980025 ZPSVROIFQNUFNX-ZIBCJSCZSA-N 445.369 -0.018 50 20 IBGD O=C(CCc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787043615 BXVARNQVVFJLDF-IHPCNDPISA-N 438.293 -0.618 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791057747 GOAQKVPQJLHXHE-MZGVZZPPSA-N 439.115 -0.257 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800976722 FMPJDCPVHPPAIB-JLUCKKNBSA-N 425.873 -0.858 50 20 IBGD C[C@@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011642 XBPWEXOTUUHORH-VWPFQQQWSA-N 438.554 -0.094 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359382 IMXLTQNNNMCBGJ-ZTQAJYAQSA-N 438.293 -0.408 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1807373019 MBPVJOZKEHQMSE-FUHIMQAGSA-N 436.277 -0.783 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730869 GFILWGPOEZHKQP-KDOFPFPSSA-N 428.873 -0.665 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833285111 FPRULXFIGNARMY-FQEVSTJZSA-N 445.369 -0.041 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1837456102 CKMWWQQKOLTHFE-LJQANCHMSA-N 446.489 -0.475 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837981659 NNDYUDYYOQAGMG-UHFFFAOYSA-N 435.529 -0.350 50 20 IBGD O=C(O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202409 FACNSVARPHNYKI-TZMCWYRMSA-N 443.291 -0.049 50 20 IBGD Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185945 XBPOYWXPJYLGCB-FQEVSTJZSA-N 434.497 -0.772 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840186089 ZJLHTRCRIQIPRK-NRFANRHFSA-N 449.508 -0.963 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCC(=O)N1CCCC1)C2 1844263538 OGANEQOWDLMXBT-UHFFFAOYSA-N 428.493 -0.095 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1844692361 OQHCYWADOQTBOB-HNNXBMFYSA-N 447.448 -0.070 50 20 IBGD Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cn2n1 728341535 VPRLJIJCFCRNHL-CQSZACIVSA-N 427.373 -0.525 50 20 IBGD COc1ccc(CC(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCOCC1 735446108 WXMIWSNYMHAQQY-UHFFFAOYSA-N 437.478 -0.547 50 20 IBGD COc1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1S(=O)(=O)N(C)C 757777168 WQHSZFPUFBTILP-SNVBAGLBSA-N 434.496 -0.467 50 20 IBGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763577147 HDORRPHFWMAYQV-MRXNPFEDSA-N 428.401 -0.133 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2O)n(C)c1=O 776489728 MKDZWWUFTQVVSR-UHFFFAOYSA-N 440.338 -0.381 50 20 IBGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n1 793219971 IOOUSHWHSWTVMS-GJZGRUSLSA-N 440.526 -0.284 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)CCN1 906473372 LHHATQAUQZYROD-UHFFFAOYSA-N 446.441 -0.389 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)NC2CC2)o1 915064049 JQBPHXOXLSPRFS-NSHDSACASA-N 442.450 -0.965 50 20 IBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n(C)n1 1779623889 TXASEVUSMKGDRR-NRFANRHFSA-N 441.492 -0.262 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330853 HUGWQGIXMPURLM-XHDPSFHLSA-N 443.233 -0.448 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1781998083 SHHIWLLBZBTGAQ-GZOSKZMVSA-N 448.358 -0.066 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccnc(F)c1 1784736627 KUFQZSFFSJBUFN-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986588 NBWOWERSGLEFJV-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)nc1F 1792374107 VVKOXNVIRMSVRU-FVCICTRLSA-N 431.204 -0.443 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1SC(=N)NC1=O 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O=C(CC[C@H]1CCOC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791815667 RFYHXEHQXMIWBD-UHMOLFJZSA-N 430.310 -0.224 50 20 IBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792976891 OBBFKYVZCROSQC-QKGCVVFFSA-N 448.948 -0.582 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794206940 FWYMWGHYCTZZQQ-AFIMGQEJSA-N 441.492 -0.579 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nn1 1798370573 LPXZBSSIAAYMCW-DPIQGUFMSA-N 441.448 -0.999 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813070373 GTOPGAPTBLRFAU-FTRWYGJKSA-N 430.509 -0.261 50 20 IBGD O=C(Cn1cncn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815662930 QMEFDEUZRLDOJY-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1833764336 HMNJESGXIPZLAY-GFCCVEGCSA-N 434.324 -0.040 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc[n+]([O-])c3)CC2)CC1 1833912621 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HYVOCUXCHRORTF-UHFFFAOYSA-N 441.491 -0.592 50 20 IBGD CCc1c(C(=O)NNC(=O)COc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 753888028 UJNRIXKQDDIQRM-UHFFFAOYSA-N 436.428 -0.094 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCS(=O)(=O)C3)nc2)CC1 758659305 RZLFFTIMXJKCMF-CYBMUJFWSA-N 446.555 -0.779 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1C 763679807 LQPOZOOTXCKKCI-UHFFFAOYSA-N 444.492 -0.003 50 20 IBGD C[C@H](CNC(=O)C(=O)NNC(=O)COc1ccccc1Cc1ccccc1)S(N)(=O)=O 763719057 UHJJSCQVKVQQNV-CQSZACIVSA-N 448.501 -0.403 50 20 IBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763837465 GKHQWKNFQPVOEY-UHFFFAOYSA-N 428.373 -0.223 50 20 IBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cnn(CCN2CCOCC2)c1 764152019 BRRLWSYAWPOYGW-KRWDZBQOSA-N 428.449 -0.695 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 764232153 RUDVOCFGSUMZOX-JTQLQIEISA-N 447.901 -0.800 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767352226 CSMJNFGHDMKWKW-YVBOFZSYSA-N 443.456 -0.221 50 20 IBGD O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)NNC(=O)C(=O)N1CCCC1 776056090 PJKUZLXBVALEHM-IRXDYDNUSA-N 428.493 -0.462 50 20 IBGD COc1nn(C)cc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 789586772 PCOUVLWPXBJAOX-UHFFFAOYSA-N 429.481 -0.273 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1C 798308238 UPUCAXFGNPLAQP-UHFFFAOYSA-N 426.433 -0.408 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C 798310241 VSZQTRNFRJSJAU-MRXNPFEDSA-N 431.493 -0.430 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1327777912 PVUIIWNTJVCOBO-UHFFFAOYSA-N 432.524 -0.357 50 20 IBGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1332679557 FIZXLKUANHUTPT-UHFFFAOYSA-N 443.913 -0.095 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cncc(O)c1 1782039893 LTKRIBLSRFPTCQ-DENIHFKCSA-N 439.277 -0.092 50 20 IBGD CN1CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1792605712 NUPBREIWDCQYRF-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1792872442 IEAGEOVKGUNROY-YFKTTZPYSA-N 440.298 -0.190 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1796446290 RIOODFYXYGGIJQ-SNOXVSQISA-N 442.480 -0.608 50 20 IBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)on1 1797748522 GEMKJABBVBPACX-IVWMJMPLSA-N 428.449 -0.573 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748667 QQXLLARJOBRRKU-LTCOOKNTSA-N 430.509 -0.627 50 20 IBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1798216713 PJZVULYMVKWIFQ-DPIQGUFMSA-N 428.449 -0.248 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011244 CVVFJOWLKCKGOG-ZTENYAIWSA-N 433.513 -0.760 50 20 IBGD O=C(CCCn1cccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801411289 GNYJYUBQHPYPAJ-RMFSNUHRSA-N 425.294 -0.149 50 20 IBGD CN(CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)C(=O)C(=O)O 1803148921 YODXVPDXTRFZPD-VNHYZAJKSA-N 426.857 -0.770 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cnnn1 1817474847 HROYUYFVWDFZSD-BLLLJJGKSA-N 438.257 -0.357 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1826085504 XIURRBOJQIVOJW-WDEREUQCSA-N 439.542 -0.979 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826937094 PXTIKCJLMBRYPF-OALUTQOASA-N 444.341 -0.808 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1831656105 ATPYNOJYRYUQLA-ACJLOTCBSA-N 433.889 -0.607 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 9930637 GYQXMBIENSGYQS-LBPRGKRZSA-N 433.508 -0.664 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742676646 KATWOWGPRCCBDS-HBJVGIJOSA-N 439.469 -0.606 50 20 IBGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccn1 764433376 MTKBVNDPOBEWBB-MRXNPFEDSA-N 443.416 -0.265 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 770208495 JOFAKHQZFAHLFA-UHFFFAOYSA-N 446.533 -0.037 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)[C@H](C)C(=O)NNC(=O)Cn2nc(C)cc2C)n1 790121623 VVJPQYPGQRCZIO-HOTGVXAUSA-N 446.512 -0.420 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786980069 FSPXEMBEKZQMGN-UBHSHLNASA-N 432.179 -0.140 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796464982 ZBBWBNCHYAVXNB-MLYANYNQSA-N 446.508 -0.518 50 20 IBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN)NC(=O)NCc1ccccc1 1796781280 SSPMWCJBYUEEGW-MHORFTMASA-N 431.541 -0.743 50 20 IBGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1807364253 STLKNCIPYUQSTO-WMZOPIPTSA-N 434.265 -0.477 50 20 IBGD CN1CCN(CC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CC1 1809978678 KHYUYGHNWHILDT-UHFFFAOYSA-N 442.369 -0.541 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cnnn1 1813073260 IGGIHBPTGVNYQA-SIXWZSSISA-N 443.512 -0.292 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730871 GFILWGPOEZHKQP-KSSFIOAISA-N 428.873 -0.665 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737249 FWGQPHKMGLLMRT-LPMFXHHGSA-N 449.932 -0.044 50 20 IBGD Cn1nccc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834212178 SBWCQBOHTOTNAJ-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837210948 AOZKKUYQFJMHSH-ABAIWWIYSA-N 428.269 -0.689 50 20 IBGD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1837920898 LUFGNFCLJFOIEN-UHFFFAOYSA-N 428.294 -0.042 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839696059 BLZBXOXESMAZDZ-NYUBLWNDSA-N 444.318 -0.689 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23080800 KDPWVJJHCYYRIO-IAQYHMDHSA-N 436.446 -0.861 50 20 IBGD C[C@]1(NNC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCS(=O)(=O)C1 729615024 SEGNDMYMDWEXRD-SFHVURJKSA-N 425.559 -0.240 50 20 IBGD O=C(NNC(=O)C(F)(F)C(F)(F)C(=O)NNC(=O)c1ccccn1)c1ccccn1 742462350 DLSPJTVFSVDFKV-UHFFFAOYSA-N 428.302 -0.031 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccc(Br)c1)c(=O)n2C 742769272 LZEXLWGBHVDZGR-UHFFFAOYSA-N 435.238 -0.343 50 20 IBGD CCOCCCNC(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755957576 WTMVOXBETDVOBJ-LBPRGKRZSA-N 429.499 -0.067 50 20 IBGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763996924 SVFJZOTZSPLGFI-QGZVFWFLSA-N 441.444 -0.561 50 20 IBGD O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 766874268 PFEYUCQLMIWLCG-UHFFFAOYSA-N 439.494 -0.449 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778437890 GLADINFRDJMHAS-UHFFFAOYSA-N 430.483 -0.103 50 20 IBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2C1 792736937 SVJJSTVVSXMXJC-CYBMUJFWSA-N 447.521 -0.051 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 797369408 VHEKDDSOQDDZFN-UHFFFAOYSA-N 438.404 -0.325 50 20 IBGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 799240583 KDZBPNHPGXQSNO-FZMZJTMJSA-N 427.483 -0.305 50 20 IBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1 916160121 IJMIQJIGASVRFK-UHFFFAOYSA-N 440.482 -0.074 50 20 IBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)n[nH]c1C 917724414 SXIWFXNKXJZURN-UHFFFAOYSA-N 444.495 -0.189 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NOC[C@@H]1CCOC1 1320649292 MTHUFFYSEVWINH-CYBMUJFWSA-N 428.467 -0.380 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382692 PLACCWOWQVIABB-YJYMSZOUSA-N 439.900 -0.286 50 20 IBGD CN1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779032559 MJLAJWZKYAYXOP-QVKFZJNVSA-N 430.509 -0.530 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036793 DUQMTVFDVHPXLY-OAQYLSRUSA-N 445.476 -0.362 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(CO)on1 1780216404 YTOXPQBTCFRPSM-WIYYLYMNSA-N 443.265 -0.712 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785352798 DPNSTRSASQTOQO-ACJLOTCBSA-N 428.873 -0.659 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785451073 VYVLMVLFOWFFOH-OXJNMPFZSA-N 425.530 -0.506 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(CO)CC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980095 IVLFBKGTBPAWEG-TXDIOBHYSA-N 444.337 -0.242 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CC[C@H]2CCC(=O)N2C1 1789767144 VZAODHZKZCDADD-JNNCMOEMSA-N 427.929 -0.033 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789955802 OMADDYJPTJCHNU-CBVHJVASSA-N 431.298 -0.239 50 20 IBGD CCN(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790554627 MCGQOLSAZAKDRO-BODMPHMZSA-N 432.525 -0.381 50 20 IBGD O=C(Cc1cnc2ccccn12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792930136 XVTBXXPNGYPMSX-FAQVEIGNSA-N 448.288 -0.540 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1794318654 DFUWPFWNXINVPH-AYRXBEOTSA-N 431.898 -0.712 50 20 IBGD Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1795320756 UJKGVMAJEFTFJK-KPEUIFRASA-N 444.937 -0.042 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc(O)n1 1796375972 JQPDCYTZKUQLFL-HGKCTWBKSA-N 425.250 -0.708 50 20 IBGD O=C(Cn1ccnn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815340377 LPXASXIUGILSLV-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360231 QXLVUDSONPASEX-HIFRSBDPSA-N 442.306 -0.331 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834356177 IULRTDZKIIALTN-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715555 XKTDSQWNNIPYCC-BEFAXECRSA-N 427.574 -0.015 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837843985 QXTSZWIRUWLPCC-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839105238 VKPAAFHVXHMVGD-ABSDTBQOSA-N 446.976 -0.668 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871539 KZGVJCLKXAHNIT-IIYDPXPESA-N 432.315 -0.248 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1845071009 MYGOTWCZINKVMT-WMZOPIPTSA-N 425.294 -0.416 50 20 IBGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559670 JMLQSKVZFAZDMG-DZKIICNBSA-N 448.911 -0.019 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 744463403 BQPQSZLUTNAEHU-UHFFFAOYSA-N 438.506 -0.088 50 20 IBGD CCn1c(CCC(=O)NNC(=O)CO)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 753440626 VYCNYSLRZPGCKH-UHFFFAOYSA-N 439.494 -0.851 50 20 IBGD CCn1nc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C1CC1 756884499 JDJJWWXLXSEYDU-UHFFFAOYSA-N 429.441 -0.620 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 758049424 ZODRTVRDQMCAQA-QMMMGPOBSA-N 427.508 -0.097 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 758152026 ZXONDMLISCASNN-JTQLQIEISA-N 430.508 -0.841 50 20 IBGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNc1nccc(N2CCOCC2)n1 762850360 FMSYFINKKSQXGC-UHFFFAOYSA-N 437.460 -0.172 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3)cnc2n(C)c1=O 763504439 FZLAZSGJYDGHRU-UHFFFAOYSA-N 430.808 -0.315 50 20 IBGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764435867 YDDIQPVKVIQKSR-SWLSCSKDSA-N 442.494 -0.594 50 20 IBGD CS(=O)(=O)N[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793216765 IUGDMSSZSQEYTK-AWEZNQCLSA-N 427.483 -0.333 50 20 IBGD O=C(NNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccc(-n2cnnn2)cc1 808187569 HXFQCFCIGOYQTP-ZDUSSCGKSA-N 448.509 -0.190 50 20 IBGD CCCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1OC 915056531 OQHKTZSSVSDVEK-UHFFFAOYSA-N 425.467 -0.043 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1778359380 USMIWEILSBYWDD-KBXCAEBGSA-N 445.358 -0.236 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1779032656 PWZVPKSZFHHSGD-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD COc1nc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779740294 LELUWWCRKZHTDE-QFIPXVFZSA-N 439.277 -0.164 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1783934922 LXFNRPDRAFKBRQ-OAQYLSRUSA-N 432.525 -0.036 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1785035661 UIDMDARYSXMWTH-ABHRYQDASA-N 425.910 -0.769 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1787508678 NQPZXYBGQOUQBQ-AVVUYLBOSA-N 429.437 -0.203 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2)c1ccc(B(O)O)cc1 1795734492 JZRRLALWOPHMTH-CCWDJLKJSA-N 438.293 -0.515 50 20 IBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)sc1C 1795734992 FYZZGHTUHWGEAL-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD CCOC(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)OCC 1801012124 GDCMQFQBIIIIQR-YVWYUNDQSA-N 428.530 -0.262 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1807365195 SNCAHLALAKFHNZ-HQRMLTQVSA-N 436.277 -0.640 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819402234 WEJQJNRSBMPBRG-CQSZACIVSA-N 449.493 -0.241 50 20 IBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1822895030 YULOPQASROHRJY-VHSXEESVSA-N 431.478 -0.498 50 20 IBGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831876204 HNLOTZPWMHPCGO-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833544240 LLYMWLXSIDPPOR-OAQYLSRUSA-N 442.476 -0.295 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)C(=O)O 1840031792 CGFSCPZLQWUQIE-XHBSWPGZSA-N 436.303 -0.711 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 22842855 JTJIZARBRJWHQU-UHFFFAOYSA-N 435.510 -0.306 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)o1 755231905 GIZSRFQGQULSFX-GFCCVEGCSA-N 426.499 -0.017 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1)[C@H]1C[C@H]2CC[C@H]1C2 764421006 INZBKKMKTZGNKG-LMOYCYGVSA-N 438.506 -0.132 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(N3CCCC3)nc2)n(C)c1=O 765312441 FFEFTYLJNNGWGX-UHFFFAOYSA-N 441.452 -0.718 50 20 IBGD C[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cncn1 914109741 GEXKOUUOEWLCOD-CQSZACIVSA-N 436.494 -0.360 50 20 IBGD Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c(O)c1 918338889 DYFKJIVRWREYLI-UHFFFAOYSA-N 432.458 -0.104 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1778092983 XNXQFLOVKDHEQC-YMYKSDKLSA-N 449.508 -0.357 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1779030818 IMAHLBHNSPMYAG-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD CC(C)n1nccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779602286 NLKOJEPMWVYKDA-NRFANRHFSA-N 426.282 -0.099 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1782173804 PTUQQJLMRXAPOB-XEKQOVJPSA-N 439.900 -0.043 50 20 IBGD Cc1nccn1CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784404716 JOIWIINZAOCYPZ-QFIPXVFZSA-N 440.309 -0.205 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1789222252 KRVILJIRIVDKRJ-RPZXMPESSA-N 449.464 -0.601 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736664 ACAFLTCZVPIZAA-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2)c1cccc(B(O)O)c1 1795738761 DFWYKIPQXSUJST-MXNKGDRCSA-N 449.316 -0.716 50 20 IBGD CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796130287 TZSAIIFHGINSBF-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754076 SKSUVYRVXYRHQQ-OAFZBRQQSA-N 446.552 -0.134 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1807364900 LALWXSDWOHBYEQ-BPQIPLTHSA-N 438.249 -0.811 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657727 WFISCYLHNHIMBA-TZMRYXNNSA-N 435.289 -0.027 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)N1 1816965255 VRSSRBXUZMRTMJ-HOCLYGCPSA-N 425.254 -0.326 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822029896 WFYZRDLZZUWVME-UKRRQHHQSA-N 431.921 -0.058 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)N1 1826662099 NKRBXXLEVNZYOO-RTBURBONSA-N 427.310 -0.122 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837456238 GAEXBIVJMKXMBQ-NRFANRHFSA-N 440.460 -0.536 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715993 VSFCYHQPKXENCK-GOSISDBHSA-N 446.646 -0.222 50 20 IBGD O=C(Cn1cncn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920261 LSMUABCOBOIKCD-UHFFFAOYSA-N 441.297 -0.730 50 20 IBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846340289 JNHCOXWJFQOZDS-MSOLQXFVSA-N 426.278 -0.061 50 20 IBGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 733108386 PAWPDLTWXSMKNI-OAHLLOKOSA-N 444.473 -0.201 50 20 IBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 735468584 OHSMYGGGHUJDKX-UKRRQHHQSA-N 427.502 -0.146 50 20 IBGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744398203 BUTYECBVQGAOOA-MRXNPFEDSA-N 430.509 -0.522 50 20 IBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621149 SCVHTWXGFMVENH-OAHLLOKOSA-N 446.551 -0.035 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1C 763806937 JQQKQEUGGXWIDD-UHFFFAOYSA-N 445.457 -0.060 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765125126 MOGOCVOWDMLCGE-UHFFFAOYSA-N 434.478 -0.631 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)COc1ccc(S(N)(=O)=O)cc1 767313472 XONAQRPCZRPCSS-UHFFFAOYSA-N 435.458 -0.045 50 20 IBGD Cc1cccc2c(=O)c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12 776176021 GMPXRLQRRKHRST-UHFFFAOYSA-N 437.416 -0.955 50 20 IBGD Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(=O)c1 790695608 ZCUAPHLERBQEBC-LJQANCHMSA-N 432.389 -0.180 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1C(F)(F)F 790951763 HAOVQNZDXQUVCG-ZETCQYMHSA-N 426.373 -0.262 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)c1 915188349 FNRDPOGEBFLEPP-UHFFFAOYSA-N 446.532 -0.262 50 20 IBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 916516129 GFVBRQCESUMTFK-UHFFFAOYSA-N 426.543 -0.532 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)N1C[C@H]2C[C@@H]2C1 1779031744 FLWLHXFUODZBGO-NXLNFEJXSA-N 442.520 -0.531 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc[nH]n1)C2 1779374204 KVBYWEATPDFJCN-DYESRHJHSA-N 441.492 -0.222 50 20 IBGD O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782563179 SEZKMBXVRXFNHM-WIYYLYMNSA-N 441.297 -0.824 50 20 IBGD C[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783522087 WOCZORUVEBKOJA-HRAATJIYSA-N 433.509 -0.457 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785155311 MBMGPHHKAGEEQM-HTFCKZLJSA-N 431.287 -0.652 50 20 IBGD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1786199313 PUDHQUGNLHWPLB-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnccc1F 1787194745 JFWFDWSVVVFINB-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ccncc34)[C@H]2C1 1787341340 QYPMSDXAOJPGJJ-QRTARXTBSA-N 443.508 -0.076 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1788611468 CRXIPDSBXVPNHC-PJODQICGSA-N 441.448 -0.912 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccn13)C2)c1ccc(B(O)O)cc1 1795734350 NHKFSZLVVAIAIM-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795740206 DWGSFDZBDAJONU-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2cccnc2[nH]1 1797457461 YXRUNJYSNYYKGD-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1801011597 QDQYAKXZHVFEAX-HBCWATKFSA-N 429.481 -0.466 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C(F)(F)F)c1cccc(B(O)O)c1 1802375339 AUVSMEZGUPUMPP-BTTYYORXSA-N 427.188 -0.703 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810225510 MBJXQGOIRLXQKS-IFXJQAMLSA-N 429.481 -0.664 50 20 IBGD COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830728055 NYUXXNQZCUCTRA-MAUKXSAKSA-N 430.889 -0.801 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716698 JZKISDXIZZQJTE-GOSISDBHSA-N 438.717 -0.422 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840149837 BEXWOKDAOIFMEG-SGTLLEGYSA-N 442.856 -0.501 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845771991 PTBCOMYKRNSCRO-LPYMAVHISA-N 441.448 -0.102 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)c1 1848326745 VGTGMCFEGBHYCX-ROUUACIJSA-N 443.290 -0.706 50 20 IBGD O=C(COC(=O)Cn1ncc2ccccc2c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 728327421 KNNWAMWPBWNEDZ-KRWDZBQOSA-N 438.396 -0.073 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cnn(-c2ccccc2)c1 733171563 QHFCNGBTSDVHTN-INIZCTEOSA-N 426.477 -0.186 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 742617768 AKERCUVZOSLBMQ-MUIFIZLQSA-N 434.474 -0.267 50 20 IBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)Cc1cn2ccccc2n1 746549788 GCRPAPBXGSRYAP-KRWDZBQOSA-N 428.493 -0.263 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F 764231738 PPQDJFAYDOENGN-MRVPVSSYSA-N 426.373 -0.349 50 20 IBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)o1 764372266 RYWDEUQHXWNSFL-UHFFFAOYSA-N 449.489 -0.076 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)Oc2ccc(C#N)cc2)n(C)c1=O 766640764 WDTQJYBEVPCHOP-UHFFFAOYSA-N 439.432 -0.690 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)CC(=O)NC(C)C)c1 767154902 OAXNBMHFEGWHNI-UHFFFAOYSA-N 441.554 -0.066 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n(C)c1 778533047 YACMUYFIIGCUFO-UHFFFAOYSA-N 432.462 -0.403 50 20 IBGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Cl 783999183 KOUDJWUEPXNKMA-UHFFFAOYSA-N 425.873 -0.011 50 20 IBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 792848410 RQFGYKZPNBUCOW-AWEZNQCLSA-N 427.483 -0.333 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cnccn3)CC2)cc1 793676362 RCCTUOTWEZJNIM-UHFFFAOYSA-N 446.533 -0.128 50 20 IBGD COc1cncc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 799124981 WVYJUWCEAGSSNF-UHFFFAOYSA-N 433.490 -0.142 50 20 IBGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032211 LQZUVGSXYKAORS-ADSBAMQRSA-N 437.522 -0.713 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033643 AQPDKUWZHNLBER-QKKBWIMNSA-N 441.492 -0.105 50 20 IBGD CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)N(CC)CC 1793457601 JQTYDXVQFOHEOD-HNJRGHQBSA-N 431.342 -0.310 50 20 IBGD CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1793997251 OFKXXWIKFAZLQR-CCWDJLKJSA-N 442.281 -0.681 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794206371 LBKFXULZOVOAEW-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD O=C(CNc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795542143 VWKYAQDYBPMKDI-VPTLXERWSA-N 441.268 -0.179 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1cccn1 1801383874 BZEZRHNZSJTURQ-VWPFQQQWSA-N 427.465 -0.654 50 20 IBGD O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1807024409 UFODLMQYSPQQQQ-GUTXKFCHSA-N 434.817 -0.588 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1830537055 AWSKYBJGLRUQRR-SUMWQHHRSA-N 446.346 -0.686 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1830543739 BEEHMCZWABXIEV-XNJGSVPQSA-N 432.315 -0.390 50 20 IBGD O=C(CCN1CCOCC1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834635260 YRVSYRGXKOYYKB-SFHVURJKSA-N 430.977 -0.120 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)n1 1843013742 HSYSIISKJSYBOI-UHFFFAOYSA-N 440.221 -0.191 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 728178445 HZGBIBHIRBZNSQ-AWEZNQCLSA-N 448.567 -0.629 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 746301879 VLXAHOPEXDNFLA-JTQLQIEISA-N 437.482 -0.482 50 20 IBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 751361981 NARLRWGAWSUKPY-CYBMUJFWSA-N 440.478 -0.708 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)c3ccccc3)cn2)C[C@H](C)O1 763430347 FPJFZJYCBGLXJA-KBPBESRZSA-N 428.449 -0.081 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2F)c2ccccc2O1 763679770 PBULQYUEWVDVEE-INIZCTEOSA-N 430.392 -0.108 50 20 IBGD CC(C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765124128 KSKVXGRRIGWUKB-UHFFFAOYSA-N 434.478 -0.433 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 793599369 MMCKUVOXRDGTHU-LJQANCHMSA-N 428.449 -0.360 50 20 IBGD CS(=O)(=O)C1(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCOCC1 814200950 MXHPEGKKZSBKCZ-UHFFFAOYSA-N 438.550 -0.060 50 20 IBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)CNC(C)=O)N(S(C)(=O)=O)CC2 913161046 DGNCYGAKFDBCBB-CQSZACIVSA-N 442.494 -0.764 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@H](C)O1 1322714474 QXDBIIKJWNMPBB-KBPBESRZSA-N 431.501 -0.618 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778103051 POHIAKCLZBWPHA-YIFZBPKDSA-N 445.325 -0.639 50 20 IBGD CCn1nc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1C 1779716050 DLQKUDNQJJAMJT-OAQYLSRUSA-N 426.282 -0.351 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CC[C@H]3CCOC3)C2)C1 1784813033 KORJYSIKZDVCOC-BTYIYWSLSA-N 431.493 -0.055 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N(C)C)o3)[C@H]2C1 1785886945 VJRQADLNMKLAMB-KKUMJFAQSA-N 436.513 -0.293 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788475200 IIXNEHHCEJVMFT-DKKFBCOVSA-N 436.303 -0.186 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1791254870 VMZDJBZUIVNWJQ-XSLAGTTESA-N 444.960 -0.616 50 20 IBGD O=C(COc1ccc(O)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792775347 TXMQUDRBKKFRQS-VPTLXERWSA-N 440.261 -0.646 50 20 IBGD Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1795320755 UJKGVMAJEFTFJK-CXHZTBPHSA-N 444.937 -0.042 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3O1)C2 1801011301 HBPHIAGBGGDGFV-VWFIUDSGSA-N 430.505 -0.047 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)N1 1806634016 MDUJCOUDLMBFCU-QRFRQXIXSA-N 436.277 -0.640 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1806699658 PUKQRRZMYIGCRM-OAHLLOKOSA-N 435.974 -0.452 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810558481 FEAFLHOBMRJANC-QAETUUGQSA-N 426.901 -0.162 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812653335 CWDJCCPIJADIBD-WIBUTAKZSA-N 432.525 -0.015 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826822996 VMSATNPUNFJJNH-IRXDYDNUSA-N 438.573 -0.428 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)O1 1827050200 IJTYCVJOIKOVRU-MSOLQXFVSA-N 429.282 -0.292 50 20 IBGD Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833908042 SCZMMFSKAZSBJB-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD CN1CCC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799892 LBIPKQPNHJGNAS-NRFANRHFSA-N 442.369 -0.354 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1840444220 GVDDLJUCIPZEKB-JXFKEZNVSA-N 436.513 -0.727 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549701 HMXWQRCGAQBOPT-QGZVFWFLSA-N 436.603 -0.271 50 20 IBGD COc1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1F 726448163 BQMDSMLKPURAMV-UHFFFAOYSA-N 428.471 -0.263 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 729619804 UOWSEUFLHJLOFN-HZPDHXFCSA-N 439.538 -0.191 50 20 IBGD COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756256971 JRNMUQGNJPVOOL-CYBMUJFWSA-N 440.478 -0.245 50 20 IBGD Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 764022668 YJEYQHQBBYCKTC-WBMJQRKESA-N 431.401 -0.046 50 20 IBGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764230391 HTGGDPMSENWEAZ-QMMMGPOBSA-N 448.523 -0.144 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COc3cccnc3)CC2)cc1 766635809 FUAUHAFNDPLKCW-UHFFFAOYSA-N 447.517 -0.077 50 20 IBGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1CCOc1ccc(F)cc1 801819094 FCFBWLNBQGWLGM-JTQLQIEISA-N 443.461 -0.105 50 20 IBGD CCOc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1 1780425821 DARZDWKUENKCML-OAQYLSRUSA-N 440.265 -0.688 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782272053 KJUZKARMLITYOG-WHSLLNHNSA-N 437.541 -0.601 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1783343289 MNPRYJCOANFRJQ-USBNGQNGSA-N 431.287 -0.412 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2ccnn2c1 1790443246 UZGJTOKCEBSUGR-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792976899 OBBFKYVZCROSQC-XLWJZTARSA-N 448.948 -0.582 50 20 IBGD O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793711839 LOJHSPPYHBJSKB-VPTLXERWSA-N 449.276 -0.986 50 20 IBGD CN[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)C(=O)O 1822414291 RKJHAMHTXVRSNM-KBPBESRZSA-N 437.501 -0.163 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837803128 YLPWLKPCXRDDMC-NRFANRHFSA-N 442.281 -0.910 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033086 SMTKSUMBLLDOCH-WQGACYEGSA-N 435.319 -0.327 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc3c(c2)CCNCC3)C1 1845796831 NNEIRDQUUNFEAG-UHFFFAOYSA-N 434.305 -0.420 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 731963757 FXKDIWSFSRECNW-UWVGGRQHSA-N 430.464 -0.157 50 20 IBGD NC(=O)COc1ccccc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 757789863 GTFDHSZADBAUPZ-MRXNPFEDSA-N 429.385 -0.305 50 20 IBGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763679618 OWGWJAOSBLEUSV-UHFFFAOYSA-N 446.391 -0.107 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 795169726 VIIUHXGWQWHPHS-UHFFFAOYSA-N 449.493 -0.783 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 807482730 YUDUWUWOTHLHDY-ZDUSSCGKSA-N 446.551 -0.088 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552237 MCIMJSABMPYBHK-OAQYLSRUSA-N 440.265 -0.897 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1779028707 IXWBZHIYABXWBB-XOBRGWDASA-N 427.465 -0.414 50 20 IBGD Cn1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cccc1=O 1779028750 OROCXDZZUJLJHM-NRFANRHFSA-N 440.460 -0.859 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1779029263 PZIVCHOHUZEWCV-OXQOHEQNSA-N 429.433 -0.545 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1779031747 XGIPRDBCCGYBFH-DYESRHJHSA-N 439.476 -0.776 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779279501 BPOHBRKWZWJBJR-MTBUWAEZSA-N 444.492 -0.359 50 20 IBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781200740 PVYMOVLIKPSELY-IFXJQAMLSA-N 449.932 -0.043 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cn2cccnc2n1 1788309638 MPFOUYXMCHDURF-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789975500 PZGFSQAJFXBABO-VDGAXYAQSA-N 440.309 -0.458 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)Cc1ccccc1)C2)C(O)O 1792800095 AIJPKRDDKRIYGA-XGUBFFRZSA-N 427.295 -0.107 50 20 IBGD CCOc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733041 WVUZAJOYUUSBDN-HGKCTWBKSA-N 439.277 -0.323 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2)c1ccc(B(O)O)cc1 1795734811 SWUHRPIJWTXZPF-JLVBRIDZSA-N 442.306 -0.848 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1800760108 ZYIIWSCYCFPCFC-GVRJEKJASA-N 431.375 -0.005 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cnnn1 1813471725 ADUUGPJYRYKKMN-SIXWZSSISA-N 443.512 -0.292 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)sc2C1)c1cccc(B(O)O)c1 1827381337 DUAVQAMASVHFDH-SZOQZIPDSA-N 427.291 -0.059 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830210218 JRUYGRQVIBKWPA-ABSDTBQOSA-N 442.896 -0.215 50 20 IBGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1830732863 BXGQDIVTHPDHBT-SMDDNHRTSA-N 425.707 -0.030 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1834347128 POLKMSYCVFOQSQ-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258767 WQGUTPLDHZFDEM-IUODEOHRSA-N 441.344 -0.339 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838381859 QSBBQBZHZVXEQC-UHFFFAOYSA-N 436.513 -0.766 50 20 IBGD C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1839809603 BGJZPVXPNIPTLG-JOCHJYFZSA-N 443.504 -0.578 50 20 IBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)[C@H]1SC(=N)NC1=O 1843406603 JSLQSLGTBOTLHC-GXFFZTMASA-N 445.505 -0.695 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845438602 IHHJPOCWYCWKHF-OAHLLOKOSA-N 448.480 -0.655 50 20 IBGD O=C(COC(=O)CS(=O)(=O)C1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 728327401 JWIMVIQRSCBFTQ-OAHLLOKOSA-N 426.447 -0.126 50 20 IBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1nnc(O)c2ccccc12 732053152 FRJKMWISZIUJCV-MRXNPFEDSA-N 442.476 -0.190 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)nc2n(C)c1=O 734239546 RUDVMNOINPPMCN-UHFFFAOYSA-N 435.441 -0.899 50 20 IBGD COc1ccc(CC(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 745992993 RAIJRIVTDNSZOK-UHFFFAOYSA-N 442.494 -0.668 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746292689 NRWJGDFXXZFIDL-LLVKDONJSA-N 439.494 -0.861 50 20 IBGD CS(=O)(=O)c1cc(N)cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 747727278 KARXUPIIDIMGSE-INIZCTEOSA-N 449.441 -0.184 50 20 IBGD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758035686 NJRRZIUBVWJXCD-LRDDRELGSA-N 437.522 -0.064 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)sc2c1CCC2 764003074 XNUORFTZLQYSAT-VIFPVBQESA-N 443.503 -0.066 50 20 IBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 764153522 LEFXWQNEZIIADU-INIZCTEOSA-N 437.412 -0.172 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cccc1OCC(F)(F)F 764226066 FCTHSSCCFDBOJE-VIFPVBQESA-N 440.400 -0.040 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 764397569 AFVJBDSPKKAGRJ-LBPRGKRZSA-N 430.483 -0.489 50 20 IBGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764433265 LIQUFBRSTZCBPF-CQSZACIVSA-N 428.467 -0.270 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(C)cn3)CC2)cc1 765728630 NKZNDWRESBWKFY-UHFFFAOYSA-N 432.506 -0.139 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@]3(O)CCSC3)CC2)cc1 765865001 ACZPIIGEMUZHRG-SFHVURJKSA-N 442.563 -0.683 50 20 IBGD CC(=O)NC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635831 GNJMHEZYDIBJIL-UHFFFAOYSA-N 439.538 -0.637 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 815593819 YMNMUCAHYHFDAC-UHFFFAOYSA-N 427.446 -0.096 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C(=O)CCNC2=S)c1 816810681 VZTOMHDLWIHDOO-UHFFFAOYSA-N 427.508 -0.805 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1779028116 DWKAXXQHTSKNBL-LGHDPPOTSA-N 445.520 -0.073 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784803969 ZVVDEWDAXDZSRZ-UGKGYDQZSA-N 429.326 -0.317 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793313939 UOGGACZRQMRRRN-HHHUOAJASA-N 444.323 -0.406 50 20 IBGD Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1Cl 1795740270 MPHTUJJRFBACHK-YWVIFJGQSA-N 432.673 -0.730 50 20 IBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740282 NPBQAPWOZJWBOM-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)no1 1799350270 WLLMSIMCWIBESS-DJBIQUGXSA-N 447.261 -0.007 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801373413 UCEKNBAHKPXTAF-AFIMGQEJSA-N 441.492 -0.579 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1802344033 MZVLAYMZUJPBKV-CLLJXQQHSA-N 441.579 -0.142 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)ncn1 1803737099 AHSBORDFQNQLEE-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD O=C(Cn1cncn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052856 KSQGGGWDDKJYPI-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830543252 OAUAACUSBTUWDQ-XJIUQZFPSA-N 434.331 -0.803 50 20 IBGD CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835910765 ZDXGQMAYOUNTHL-DMGJQLCPSA-N 448.524 -0.425 50 20 IBGD O=C(c1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935189 FWAAKCXBRZLUIB-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718654 YBOFOFUONDBQIM-SJORKVTESA-N 433.933 -0.264 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cnnn1 1837717288 AQBSRMCWCZREIE-RHSMWYFYSA-N 426.550 -0.458 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)c3ncon3)CC2)CC1 1838394570 LMKWLEDQGKSRAG-UHFFFAOYSA-N 443.464 -0.006 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840151905 QVHRXUWPSYCRNS-SCLBCKFNSA-N 429.857 -0.183 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842946258 XBQAQGLIRTZNJU-HNNXBMFYSA-N 447.448 -0.070 50 20 IBGD CCS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 727943809 QDLIMZWHKZSMKG-UHFFFAOYSA-N 434.544 -0.922 50 20 IBGD O=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 728330792 RLHQKKWBJPDARQ-WMLDXEAASA-N 443.412 -0.692 50 20 IBGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746594227 LHMNXVXRPVRHNG-BLVKFPJESA-N 449.489 -0.497 50 20 IBGD COC(=O)c1cn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 747348820 RZFGBUYQAAPNOK-UHFFFAOYSA-N 436.450 -0.690 50 20 IBGD CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764227271 MKPMJZCYSUPYET-QMMMGPOBSA-N 433.874 -0.288 50 20 IBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)COc1ccc(Br)cc1 770137487 MZAJFLADBDITJI-UHFFFAOYSA-N 438.300 -0.069 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 770207170 BTCAGCHQUVTXCG-UHFFFAOYSA-N 426.480 -0.642 50 20 IBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O 818514441 PKAZGIMXSLUPDV-DYZYQPBXSA-N 426.426 -0.825 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)c1 916251329 FAFCDDUOMXMTSB-UHFFFAOYSA-N 427.483 -0.870 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c1 1116089134 VBHWCXJZIRYQMF-CQSZACIVSA-N 435.510 -0.107 50 20 IBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)C1CC1 1317761637 HFORZJIYSBNWND-LMRWQKIVSA-N 429.520 -0.063 50 20 IBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780154222 CMOYFKUURPRZAX-JXFKEZNVSA-N 440.880 -0.121 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782840017 YYEGKQFYGQCWQA-NZQKXSOJSA-N 435.289 -0.153 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980988 IVRYRMDPBAOVDQ-QRFRQXIXSA-N 441.293 -0.252 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795738744 DNOVKSBAOQMHBG-HRQSHJORSA-N 436.273 -0.427 50 20 IBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1797955026 ZUZRDAHUSMXRGY-DRXBFXEBSA-N 434.529 -0.528 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801867496 ZDCDLSXNQRDWCP-QHHYFVSCSA-N 447.875 -0.081 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CNC(=O)O2)n[nH]1 1815280853 SDGBLRPWGJDXMY-KBPBESRZSA-N 442.436 -0.178 50 20 IBGD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CN1 1829957101 YUFFRXBEFCJYDJ-RBOXIYTFSA-N 436.278 -0.341 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1831641150 WIYAOYZZRWIULT-ACJLOTCBSA-N 430.889 -0.598 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834076026 DDPSBDMPEAJZNQ-UHFFFAOYSA-N 434.545 -0.627 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720021 HAORMYIJKBDGRL-OAHLLOKOSA-N 427.885 -0.490 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837209381 VDDVGNGCOMVFFA-CRAIPNDOSA-N 447.561 -0.641 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837717865 PWTPDIWAZXYYHJ-QGZVFWFLSA-N 436.603 -0.271 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799263 YJTGSLABBODRIU-ZBEGNZNMSA-N 431.833 -0.358 50 20 IBGD C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840168422 JCERZAANERZJOX-OAQYLSRUSA-N 429.477 -0.441 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840875458 MSTXLXVQXYYLFO-YCRPNKLZSA-N 447.492 -0.818 50 20 IBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)N1CCN(C)CC1 1844264764 FSJWWBQRZVNJSR-HNNXBMFYSA-N 429.525 -0.862 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728384672 OZZQQOXAIKUUDP-ZDUSSCGKSA-N 431.492 -0.860 50 20 IBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845554 LTLNVMKUSNPPIE-AWEZNQCLSA-N 444.583 -0.099 50 20 IBGD CC(C)(CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)NS(C)(=O)=O 731761651 XFXQLAJOHYETOZ-UHFFFAOYSA-N 440.570 -0.143 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 743292240 CPSBPLNDFCAHKS-XOUADPBQSA-N 425.401 -0.499 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc12 758036257 PUJFEVDRDZFLSN-BDAKNGLRSA-N 430.512 -0.853 50 20 IBGD CCCCS(=O)(=O)NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 761167808 VEUHPGYXZFNVKP-UHFFFAOYSA-N 434.540 -0.130 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 762861206 KRBSTXIAKKQWSY-GFCCVEGCSA-N 438.514 -0.526 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 764427346 YXMAHSAVUYFMDI-JTQLQIEISA-N 428.327 -0.213 50 20 IBGD Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765124056 KJDIMJVVOMCMHA-UHFFFAOYSA-N 440.869 -0.595 50 20 IBGD Cn1cnn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1=O 770548766 HACQTBHUBZQOOA-UHFFFAOYSA-N 444.473 -0.479 50 20 IBGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c2ccccc2c1=O 800747649 NJQBAVIVAXCIHC-BXUZGUMPSA-N 436.494 -0.405 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)c1 809940618 NSDXRLBNCJIJAJ-UHFFFAOYSA-N 441.491 -0.929 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)c1 810105744 FSJVGUQUOCIHMZ-UHFFFAOYSA-N 429.451 -0.031 50 20 IBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1)[C@@H]1C[C@@H]1C 815569362 QBXBAGLZWKUMAI-ZIBATOQPSA-N 439.494 -0.529 50 20 IBGD CS(=O)(=O)N[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 918779298 LEDYBJFLFKSBOJ-LLVKDONJSA-N 432.528 -0.652 50 20 IBGD Cn1ncc2c(O)nc(CCC(=O)N3CCN(S(=O)(=O)CBr)CC3)nc21 1116592826 DYKMOJLUMQXOCP-UHFFFAOYSA-N 447.315 -0.172 50 20 IBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032286 IMZCOVRHQZZWSU-OAQYLSRUSA-N 442.476 -0.083 50 20 IBGD Cc1nc(F)ccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779823547 HCXBPOFJKFDAMC-OAQYLSRUSA-N 427.241 -0.034 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1781429595 LSUAGDXBELMHAS-NRFANRHFSA-N 441.492 -0.289 50 20 IBGD Cc1cc(C)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1785338283 PMKLGXDHQZWVBP-IHPCNDPISA-N 440.309 -0.527 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979953 SXEFCBNTRKWZNG-WBAXXEDZSA-N 446.700 -0.490 50 20 IBGD Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1F 1786984662 WKYBUVLOKOYEDX-BPUTZDHNSA-N 430.245 -0.556 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnn2ccncc12 1788032811 UDNNSWVSKKSNTA-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD Cc1ocnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610166 NHWQUNDOPFPGAB-RCBQFDQVSA-N 428.449 -0.111 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc(=O)n2[nH]cnc2n1 1795731497 KYIAKXGGIUQFNQ-VVJJBPBLSA-N 443.233 -0.689 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1cccnn1)C2 1798443565 IWZIKYWSRCPAMC-BTTYYORXSA-N 425.449 -0.194 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798574670 KMMMVYFWQZJBQF-XQLPTFJDSA-N 426.481 -0.135 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801733288 PDFKPTOGJHIUJM-MOINTJSASA-N 448.524 -0.955 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806642018 ZFJHBTPELQIMRK-GQIGUUNPSA-N 430.509 -0.261 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811449691 AZITYDBCUHYUPN-OXQOHEQNSA-N 447.260 -0.522 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347930 YBTBBKVHGZALIL-CABCVRRESA-N 444.322 -0.037 50 20 IBGD N=C(N)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828925470 MRANEESVHDYIDZ-MRXNPFEDSA-N 430.513 -0.599 50 20 IBGD O=C(C1=CCCS1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831549912 WZXFCSBEHBDAMS-FQEVSTJZSA-N 432.307 -0.543 50 20 IBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)no1 1832784001 SZIKGNBZMZMGAQ-ACJLOTCBSA-N 430.889 -0.208 50 20 IBGD O=C(CCc1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927136 IIBIYDWFBLJPOT-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD CN(CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(=O)C(=O)O 1836718777 DFQNSCMZAOHSDK-AWEZNQCLSA-N 433.889 -0.872 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1840183534 KTIQWZXTXVYNEH-GOSISDBHSA-N 425.511 -0.414 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1841172091 OBMVFAGORHUUJY-UHFFFAOYSA-N 442.302 -0.099 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841298842 GKWWCXVQPQGENG-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD O=C1COc2ccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cc2N1 1843013926 DXOKEVIXWIRZLT-UHFFFAOYSA-N 435.245 -0.172 50 20 IBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 27318646 HESMZLOWLQWENW-CYBMUJFWSA-N 426.495 -0.688 50 20 IBGD Cc1nc2n(n1)C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cn1)CC2 727230005 YKBQVZBOHQUGEU-CQSZACIVSA-N 449.541 -0.441 50 20 IBGD O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)C(=O)Nc1ccccn1 758683376 FFCXTYKXWIXBII-UHFFFAOYSA-N 440.869 -0.018 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc([C@@H]3CCCO3)s2)n(C)c1=O 760403867 LORXWTHQCOEPFO-VIFPVBQESA-N 433.450 -0.797 50 20 IBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 763573141 XGACPCCLIHRAEO-MRXNPFEDSA-N 425.401 -0.197 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n(C)c1 763821188 UEHUGPSQBHTQDF-UHFFFAOYSA-N 436.494 -0.358 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 764232342 SGAROPLWSRPXEE-VIFPVBQESA-N 428.858 -0.451 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)COC 764302754 HJNVLNXWRMVJBL-UHFFFAOYSA-N 442.494 -0.008 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cnn(-c2ccccn2)c1C 764812360 JJBYYMSFMFRCBX-UHFFFAOYSA-N 435.448 -0.137 50 20 IBGD COc1ccccc1C1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 766636355 MTUSGXQSUBUGSC-UHFFFAOYSA-N 426.433 -0.679 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 768240128 SHALMQFSUYFEGG-YFKPBYRVSA-N 442.679 -0.479 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)[C@H](C)O)cc1 779547521 WAVODSTZRTUGSP-WFASDCNBSA-N 444.510 -0.305 50 20 IBGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)cc2CC1 790054143 UZRFMGKGGGAJSV-UHFFFAOYSA-N 434.474 -0.034 50 20 IBGD C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 790679227 WZELBJLTCITWRD-QRWLVFNGSA-N 431.401 -0.870 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 893187405 FYERXIRWLFSEBR-NEPJUHHUSA-N 435.549 -0.208 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783343076 KZCJRTKGGMNRQU-PGRDOPGGSA-N 432.521 -0.207 50 20 IBGD COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933534 PNYCLZSPSLAAFI-OAQYLSRUSA-N 433.509 -0.164 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1783934865 ITAZLUKDHNUCJU-GOSISDBHSA-N 426.905 -0.110 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1785451075 VYVLMVLFOWFFOH-OXQOHEQNSA-N 425.530 -0.506 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785672513 OZXHFPUYBYZHAD-NRFANRHFSA-N 430.509 -0.386 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786115184 NJCOCKUJIZRFGY-ZLIFDBKOSA-N 425.449 -0.618 50 20 IBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1789870529 LWQUDMNUZPERMN-QHLBIMPKSA-N 438.352 -0.147 50 20 IBGD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)N1 1789922100 GXPGUAAFHCAGSL-LIJGXYGRSA-N 435.250 -0.745 50 20 IBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1797956080 ZWOVWNLYZUVQJV-JLVBRIDZSA-N 447.630 -0.147 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2)[C@@H](F)Br 1799346594 DJFRFSWGIHWGER-IYKVGLELSA-N 427.292 -0.156 50 20 IBGD COCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802083834 OVTWKRXAZROLDC-ACDBMABISA-N 448.325 -0.312 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1cc(=O)n2[nH]cnc2n1 1815323929 QHJLMYHXFKBVMV-OIBJUYFYSA-N 437.869 -0.300 50 20 IBGD C[C@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337476 SNRRSEXYRYZKOD-MFKMUULPSA-N 430.295 -0.440 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824542203 KONKOJKRUQTPSQ-GFCCVEGCSA-N 447.521 -0.315 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831424701 MGWLKQMNUMEQPF-KKSFZXQISA-N 432.282 -0.973 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1831641159 WJHPSXMOXJKCOF-JCGVRSQUSA-N 430.889 -0.552 50 20 IBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1833313247 BRBXFEQPMKCFGA-VQIMIIECSA-N 444.020 -0.206 50 20 IBGD CN(CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(=O)C(=O)O 1836718778 DFQNSCMZAOHSDK-CQSZACIVSA-N 433.889 -0.872 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837711983 YMFZKPTUQNNGHN-SFHVURJKSA-N 440.529 -0.191 50 20 IBGD COCCOCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837767341 YDMBHOFORFYNGA-UHFFFAOYSA-N 448.325 -0.358 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840153671 XIWYCFUOSLLOLT-RVKKMQEKSA-N 429.905 -0.376 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460110 FBWYWDIVTKSCLZ-LPYMAVHISA-N 426.433 -0.751 50 20 IBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN1C(=O)C(=O)N(C)C1=O 733125007 BVZBBYQIMUINFO-MRVPVSSYSA-N 427.211 -0.216 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 747719310 MVBDRVINMXKEDS-UHFFFAOYSA-N 427.417 -0.211 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)nc2)CC1 750653498 VGMWZTPWKOTHCK-CYBMUJFWSA-N 437.526 -0.593 50 20 IBGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1=O 757781206 PPOHFTHCGNJLSO-OAHLLOKOSA-N 436.446 -0.114 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(=O)Nc2ccc3ccccc3c2)n(C)c1=O 764378053 IEUVWSZBCGYRTB-UHFFFAOYSA-N 449.427 -0.627 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(NS(=O)(=O)C(F)F)c1 769624600 DOHOHRYKGBEBSN-UHFFFAOYSA-N 444.438 -0.506 50 20 IBGD O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)CBr)CC1 777835654 BXGGKUDYIOMOIR-UHFFFAOYSA-N 425.334 -0.074 50 20 IBGD Cc1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 789584465 JYSHQISMMCUUBE-ZETCQYMHSA-N 439.263 -0.080 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC(C)(C)O)c(=O)n2Cc1ccccc1 792045325 RNNGQJJJWQEEDO-UHFFFAOYSA-N 442.476 -0.264 50 20 IBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 792848412 RQFGYKZPNBUCOW-CQSZACIVSA-N 427.483 -0.333 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc3c(c2)sc(=O)n3C)n(C)c1=O 814876998 HNLFRZIYDKKIDW-UHFFFAOYSA-N 427.446 -0.503 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 839291833 FSVRLIFNFVNIQH-OAHLLOKOSA-N 441.462 -0.811 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 918210481 ZCKTVCQXHZRPIS-CYBMUJFWSA-N 438.487 -0.500 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781603401 AEVJCGPZTYLQLH-OAQYLSRUSA-N 428.225 -0.032 50 20 IBGD CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210307 OBWFCCKUSFRADJ-DNVCBOLYSA-N 446.570 -0.692 50 20 IBGD CCOc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1 1783935026 MSCRNSYWJLHTHX-HXUWFJFHSA-N 434.497 -0.308 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1783969394 LTFRGUXJUUMASC-NWBUJAPZSA-N 445.314 -0.405 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1783969402 LTFRGUXJUUMASC-VLJOUNFMSA-N 445.314 -0.405 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784108914 DIGFJIMZQKWSQS-SJKOYZFVSA-N 428.283 -0.228 50 20 IBGD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784411257 VKPGURXECHVXJT-DZYDDEDGSA-N 432.481 -0.764 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ncccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979759 FEDDHTCCRANLEI-WBAXXEDZSA-N 449.276 -0.455 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1cccn1 1788610961 GQNHQPNAUOGTOV-BODMPHMZSA-N 441.492 -0.264 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2c1OCC2 1796793541 KKIPTLKQTOEHKK-XEMDLRDOSA-N 436.273 -0.182 50 20 IBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)o1 1797745963 OUBADKQWJCXBRO-CCWDJLKJSA-N 441.249 -0.565 50 20 IBGD Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1798347306 RHLWAPATOXVRHM-YWVIFJGQSA-N 432.673 -0.730 50 20 IBGD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1800510355 JTPRJWDGJVTJGU-HBCWATKFSA-N 448.432 -0.141 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807054171 DXGJDMPTIKZUSJ-FTRWYGJKSA-N 447.540 -0.947 50 20 IBGD CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1830362230 OEMNAFPRDZAYRM-HXUWFJFHSA-N 430.977 -0.045 50 20 IBGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830625975 FNEPDMXBEFQTLK-IERDGZPVSA-N 449.508 -0.838 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732120 RPTAAIYOPNHKBB-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833566510 GMGFAICUSILMHY-SUMWQHHRSA-N 432.836 -0.548 50 20 IBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835244844 GTKJNLOCCOOVLW-UKRRQHHQSA-N 427.267 -0.204 50 20 IBGD CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738316 VISLMEAYISTFHI-UHFFFAOYSA-N 445.524 -0.994 50 20 IBGD CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1835761397 OZSSREYPIWSJDR-KSSFIOAISA-N 431.562 -0.643 50 20 IBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1836674156 IMVCWCREQMQAFQ-FQEVSTJZSA-N 442.633 -0.458 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1837456116 CNRXZJQQEAGNTP-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cnn1C 1840183780 ZSEADJSOERTSSP-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1843400423 KZAHXYZBZXQBAB-UHFFFAOYSA-N 441.448 -0.173 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)n(C)c2n(C)c1=O 728889626 DIPSRTYECKLTPX-UHFFFAOYSA-N 440.464 -0.957 50 20 IBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 739410293 RYFJKMMLDJBUIL-ZDUSSCGKSA-N 432.524 -0.515 50 20 IBGD COc1cc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)ccc1OC(C)C 759636669 LTIOMCCYHDNCEI-UHFFFAOYSA-N 428.511 -0.179 50 20 IBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763857001 JNIQKUWZHMGXMD-LLVKDONJSA-N 432.412 -0.146 50 20 IBGD CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1S(N)(=O)=O 764151113 FRYMEUTXFFAXJI-OAHLLOKOSA-N 432.458 -0.014 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](NC(=O)C3CC3)[C@H](C)O)CC2)cc1 779531645 CSKLTLZLHFJZLY-JXFKEZNVSA-N 431.537 -0.464 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2c[nH]nc2-c2cnn(C)c2)CC1 781932104 ABSOVOUETCARFO-UHFFFAOYSA-N 445.509 -0.102 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)n(C)c2n(C)c1=O 794069339 FXINABVKFITOAL-UHFFFAOYSA-N 442.432 -0.737 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(O)n3)CC2)cc1 801634188 HWPVRRQUCAFGSV-UHFFFAOYSA-N 433.490 -0.137 50 20 IBGD CCn1nc(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029869 AQAUHVXJQZPMRD-OAQYLSRUSA-N 441.492 -0.033 50 20 IBGD Cc1nccn1CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036885 IAIZCECNSNKJAC-HXUWFJFHSA-N 427.465 -0.666 50 20 IBGD Cc1ncc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1784436685 XINLANGDRMYHHF-HXUWFJFHSA-N 429.307 -0.182 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784474451 JDNOUHXLLMZFTM-DEYLDDKNSA-N 442.480 -0.197 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791291179 PDDZPMDFKVQFAQ-WBJIMESSSA-N 436.557 -0.189 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792355709 CUFFIZZVEJDPMI-CULMDFNYSA-N 444.404 -0.297 50 20 IBGD CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794470228 LZFHFROGWKJPRN-CWPLJXCYSA-N 438.293 -0.656 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccn2cncc2c1 1797503376 JJCDJZPVGQOSIN-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(F)cc1F)C2 1797748445 BIGPLONYZOZIHY-CULMDFNYSA-N 446.414 -0.125 50 20 IBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751593 KVLPMQKLRXUIKW-FVCICTRLSA-N 435.557 -0.260 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)nn1 1798035319 ZFLUTRVAQAEBDB-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)c(=O)nc1O 1801971618 WPMGXNLLNQOLHD-LYIQGSDWSA-N 447.261 -0.463 50 20 IBGD CNC(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819401607 KTBGZELOCWCVKA-AWEZNQCLSA-N 428.453 -0.150 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)no3)CC2)CC1)c1ccc(B(O)O)cc1 1834798326 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1839966993 WBXIVVPJDRTEMK-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840150818 QUWUVMBSWQUTOC-LIRRHRJNSA-N 440.884 -0.496 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840182285 DXPUOULNBDGTSE-OAQYLSRUSA-N 449.508 -0.710 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840244800 RTNDJGPUYKHXDK-SNRMKQJTSA-N 440.664 -0.639 50 20 IBGD Cc1c(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)cn2[nH]cnc(=O)c12 1846385378 YEUXASIMIPDWPV-UHFFFAOYSA-N 429.481 -0.479 50 20 IBGD COC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 756377036 OTQPWSGMUVFJKD-UHFFFAOYSA-N 443.420 -0.618 50 20 IBGD CO[C@@H]1Cc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2C1 758053499 DWIDPTUTIKUDMA-CQSZACIVSA-N 441.448 -0.600 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 764233402 WNRMTDKDUNZSRE-RWRPMKPTSA-N 444.413 -0.662 50 20 IBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 770254539 SBWRHJQEKRWOHP-UHFFFAOYSA-N 443.482 -0.660 50 20 IBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 795779233 JORUIHCGUNXUOO-HRAATJIYSA-N 445.428 -0.562 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781058903 DYXFSYKTJHKNAG-HYFFOGBASA-N 449.552 -0.410 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCOC1 1783213530 IGQFDEBGZRFRDX-LRXVAGHRSA-N 430.310 -0.080 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1783967694 JLDAQXPETQOKPR-RFGFWPKPSA-N 430.347 -0.163 50 20 IBGD CC(C)N(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611460 YPJLHLABIXLHEQ-WBAXXEDZSA-N 432.525 -0.381 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793245268 MMZQEQIMVYNWOF-KGZFWBCBSA-N 446.508 -0.375 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(F)cc1F)C2)c1cccc(B(O)O)c1 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C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1829769490 VXCBDQXRTSFIHM-AAAUKVELSA-N 448.289 -0.008 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1835939810 JCNZPSHYMXVIQH-JTSKRJEESA-N 441.293 -0.501 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839047222 DZGYMXLGLNXTII-KXBFYZLASA-N 437.884 -0.672 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840155562 FBVDVAWNXRBBHE-SCLBCKFNSA-N 444.872 -0.729 50 20 IBGD C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840168421 JCERZAANERZJOX-NRFANRHFSA-N 429.477 -0.441 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 729276756 LKYLZFMCGHFHAX-VGTOOOLASA-N 431.515 -0.792 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccn3C)c2)CC1 747599436 WYYBDOBKFHLVNY-UHFFFAOYSA-N 433.490 -0.047 50 20 IBGD Cn1nnc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cnc21 753999789 RBVARWQHPIHFOT-UHFFFAOYSA-N 445.461 -0.541 50 20 IBGD C[C@@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 765313415 MFUSOIUUKATVMA-SIJPQNPESA-N 438.481 -0.010 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3CCCS3(=O)=O)nc2)CC1 767173351 PXZPFNVCGSWPIF-ZDUSSCGKSA-N 446.555 -0.779 50 20 IBGD CN(C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1=O 777838127 QWSJNXUZFFIQMR-GFCCVEGCSA-N 425.349 -0.777 50 20 IBGD O=C(CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1ccc(F)cc1 779623479 OIEGGBFWAPBKQZ-INIZCTEOSA-N 428.486 -0.287 50 20 IBGD O=C(NNC(=S)NCCc1cccs1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 819427784 UECMAFFHNRXKGI-AWEZNQCLSA-N 425.580 -0.033 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919890040 ZAIKTGCRWKJURB-ZDUSSCGKSA-N 432.524 -0.153 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780953509 NXFKDALTVPKKLL-NRFANRHFSA-N 443.508 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1783935714 VWZWJQBPGJBBGU-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD 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1815354860 VPUQSXKSZJYJQN-CQSZACIVSA-N 444.322 -0.179 50 20 IBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1)c1ccc(B(O)O)cc1 1821469438 COGLZYLVTSRXIZ-GFCCVEGCSA-N 439.262 -0.554 50 20 IBGD CN[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1827054527 DKEXYJPYDKPTHB-RTBURBONSA-N 445.325 -0.338 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196963 NPGBHDCVSQPGLP-QGZVFWFLSA-N 441.496 -0.395 50 20 IBGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccco1 1830724200 WIXAGFMWMGLKSS-SCLBCKFNSA-N 429.857 -0.935 50 20 IBGD C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831413724 GBCGKWFJIFTUCS-OAQYLSRUSA-N 440.541 -0.201 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832351922 TVPFPYZOKNIKSV-UWJYYQICSA-N 440.541 -0.225 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833471758 NPNNWMLCQICSDS-QGZVFWFLSA-N 444.282 -0.059 50 20 IBGD Cc1nn[nH]c1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799847 ADSTTXRACHARIG-UHFFFAOYSA-N 440.313 -0.708 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449685 OGYJVHYFJMSASV-APWZRJJASA-N 433.933 -0.581 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837459443 PCGCEYPFSFYUGN-UTKZUKDTSA-N 445.476 -0.552 50 20 IBGD C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460553 HDGBXHBNICMKIG-YCRPNKLZSA-N 431.493 -0.033 50 20 IBGD CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837812391 BZCQNQPJBJYZCH-UHFFFAOYSA-N 431.298 -0.933 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839151872 GOBQMOPINKBNPM-AFAVFJNCSA-N 439.340 -0.728 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc1O 1839197898 LGYSKPVWKFPSNA-SWLSCSKDSA-N 435.250 -0.114 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185100 IOCJZVBXCURPSD-OXQOHEQNSA-N 427.546 -0.844 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC3CCN(CC#N)CC3)nc2)CC1 730673573 AWKIIRZTCAFBFE-UHFFFAOYSA-N 436.542 -0.368 50 20 IBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 732475056 RIOTWNFHOXXATQ-INIZCTEOSA-N 438.554 -0.339 50 20 IBGD CCN(C)S(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 746054388 RDSQXWWLMTYBER-UHFFFAOYSA-N 434.540 -0.543 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746393366 QRKKKQMETKTWBG-HNNXBMFYSA-N 438.506 -0.968 50 20 IBGD CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 753935463 LEMFEANLCCRIIZ-CQSZACIVSA-N 448.432 -0.372 50 20 IBGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)CC1 762376654 IAEHXESZELSOTM-UHFFFAOYSA-N 432.524 -0.254 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)COc1ccccc1F 763012532 MZTUMDXXIDLQAS-LLVKDONJSA-N 438.437 -0.182 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C(=O)N2CCCCC2)cc1OC 764203033 DYQJHDBUSSZCQY-UHFFFAOYSA-N 435.481 -0.023 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1C 764279682 BVXKOWHXJJYOFD-UHFFFAOYSA-N 436.446 -0.226 50 20 IBGD CSCCCCCCNC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 782207896 TUQHXGZKOAUWLR-UHFFFAOYSA-N 441.583 -0.148 50 20 IBGD CN1CCN(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 788164928 GNTTXLLNCISPQB-OAHLLOKOSA-N 425.511 -0.254 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc3n(n2)CCCC3)cc1 806973422 AKQKSZKNZPAIOF-UHFFFAOYSA-N 448.505 -0.066 50 20 IBGD CC(C)C(=O)NCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 915907027 YHXDQZFOZSXOSN-UHFFFAOYSA-N 427.531 -0.584 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnc1 1779028703 IXWBZHIYABXWBB-JLTOFOAXSA-N 427.465 -0.414 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1779029411 XAYDNUJZXPPROX-HXUWFJFHSA-N 428.449 -0.332 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033672 BGSUWHHHEQZOBC-YCRPNKLZSA-N 441.492 -0.339 50 20 IBGD N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnc1 1795677887 OIQFPNAKTHISHO-NZGUISNBSA-N 438.293 -0.945 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CC1)C2)c1ccc(B(O)O)cc1 1795734593 UHFGIDYJLVFHSD-AGGWBTHJSA-N 426.200 -0.088 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797811889 ZULDJJWLTHMMDI-OYGISIJKSA-N 445.281 -0.901 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc(Cl)s1 1798234423 ZACHOIVFPXUMKO-JJLQDPRZSA-N 435.698 -0.007 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1800976713 DKNHONGVPCKIJI-QRJUGERDSA-N 434.873 -0.675 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810558479 FEAFLHOBMRJANC-MWDXBVQZSA-N 426.901 -0.162 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810094 JMWRLUDVTCHNLY-QWRGUYRKSA-N 439.542 -0.979 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732192 VXVLHHWVXDTGNS-HZMBPMFUSA-N 432.779 -0.852 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831024011 NRJCBQMUWWMMQE-LRDDRELGSA-N 434.287 -0.322 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840151976 SOHWPXDOAJXCCF-LPHOPBHVSA-N 433.933 -0.581 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1846385245 HQAIHOYKHACEDQ-UHFFFAOYSA-N 427.465 -0.721 50 20 IBGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C(=O)NC2(CCCC2)C1=O 726522439 KGLYGITWNGJZQD-LLVKDONJSA-N 436.494 -0.006 50 20 IBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1ccc2c(c1)OCCO2 730582602 FAXBWTHALXIBII-UHFFFAOYSA-N 430.508 -0.220 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)N2CCOCC2)o1 745986395 RNYCQWDVWIGWKR-GFCCVEGCSA-N 444.466 -0.318 50 20 IBGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1COCCO1 746004110 UOROPEGQXBLMHI-AWEZNQCLSA-N 443.438 -0.943 50 20 IBGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C 749185145 PVJYEXHZXLUANH-RYUDHWBXSA-N 432.481 -0.799 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 757873280 IQRVGFPKUQVHLK-SECBINFHSA-N 434.471 -0.146 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Br 764233274 UFCBSJRTKDCAIZ-ZCFIWIBFSA-N 425.236 -0.388 50 20 IBGD O=C1CNC(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cc2N1 815964864 USYBGMZQSLAAEH-UHFFFAOYSA-N 445.295 -0.192 50 20 IBGD COc1ccccc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 919822871 PVQWHUSTCAOVNE-UHFFFAOYSA-N 446.485 -0.181 50 20 IBGD O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)N[C@H]1CCS(=O)(=O)C1 920744792 FJIXGGGOHXHVMA-ZDUSSCGKSA-N 444.535 -0.008 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1ccnn1 1781551713 CQNQXLSTCQSYGK-JXXFODFXSA-N 435.529 -0.274 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1783877774 PRHAVQKLHZJEKC-DAYGRLMNSA-N 434.873 -0.435 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1784445536 LFWXGJNFYODXQE-KKSFZXQISA-N 426.282 -0.424 50 20 IBGD Cc1cc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)no1 1786984238 TVJOBXPXGSZZHM-JIGQMWBCSA-N 439.277 -0.030 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788038713 HQAOZGLTNJMYPW-ZVZYQTTQSA-N 443.508 -0.304 50 20 IBGD O=C(COC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188869 VRVDDNMXMANBOK-BTTYYORXSA-N 428.172 -0.276 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n[nH]1 1797750782 SSIHTVXCOJQGIE-DPIQGUFMSA-N 427.465 -0.512 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cc(O)ncn1 1803739778 ZVRXWNRGTQAKSK-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476958 IYQPJGIDEWMKLV-YVEFUNNKSA-N 427.270 -0.080 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817812776 KQWUASHBZOZNCV-WDEREUQCSA-N 435.832 -0.559 50 20 IBGD CC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799362 AZVWBGYDNFFNLO-SNVBAGLBSA-N 431.478 -0.497 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1ccnn1 1824682425 GUDGMFGMIGFXLF-FZMZJTMJSA-N 440.294 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826938300 SYDXGDNRHJLLRT-SJORKVTESA-N 438.573 -0.428 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1830727736 CREILTWOLSJJSS-WAOWUJCRSA-N 437.924 -0.243 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737227 CKDSUFLJGAXOTJ-JXFKEZNVSA-N 437.880 -0.007 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832340920 OBAILJZHLAGHEX-KNQAVFIVSA-N 446.309 -0.604 50 20 IBGD CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840207603 DWLMUWBAAZPDTN-CYUAJQNPSA-N 435.481 -0.388 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 729276747 LFYCCUNJTUZUAQ-HUUCEWRRSA-N 440.522 -0.221 50 20 IBGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)N[C@@H]1CCS(=O)(=O)C1 730533479 HFZXCVCTSKLFOP-DGCLKSJQSA-N 438.462 -0.672 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 758028940 HDOGJHCMAOTXKA-VIFPVBQESA-N 438.915 -0.421 50 20 IBGD CN(C)C1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2F)CC1 764432635 ISQNEMHJLIJITM-KRWDZBQOSA-N 437.472 -0.143 50 20 IBGD CS(=O)(=O)CCNC(=S)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 764518633 GULDVYMJGAORED-UHFFFAOYSA-N 448.014 -0.003 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 767267062 XGGDFRUSUXMUQI-UHFFFAOYSA-N 425.401 -0.111 50 20 IBGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 769558986 FRQHEBMXLXAWGH-GFCCVEGCSA-N 448.448 -0.237 50 20 IBGD CNS(=O)(=O)NCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 773714188 UWKHJFLOAIJXEE-UHFFFAOYSA-N 429.462 -0.251 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)[C@H](C)O)cc1 779522135 SENZUQCMWOAEJN-GWCFXTLKSA-N 435.466 -0.452 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1Cl 915789139 QOJNXZMDGSLHNN-PHIMTYICSA-N 442.881 -0.076 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CN1CCCC1=O 920826709 OEIYENWYGYYTSB-ZDUSSCGKSA-N 446.526 -0.005 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029599 VENJDCGUYPVOCN-OAQYLSRUSA-N 447.492 -0.140 50 20 IBGD N=C(N)SCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031467 SLDFLMROYGNZGB-SFHVURJKSA-N 435.510 -0.855 50 20 IBGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(O)n1 1780272560 HKTLNKOAWMBCAJ-OAQYLSRUSA-N 440.460 -0.149 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1783935209 QSLGCFWWSOOCTF-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)c1 1785588028 AYBLHNCMXBOJQG-DDWPSWQVSA-N 445.925 -0.322 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)ccn3C)[C@H]2C1 1789226167 DTTAARVHWPQKSZ-ZVZYQTTQSA-N 433.509 -0.648 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2n[nH]cc2c1 1796148147 QBEKYJWQEWCNMI-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796412352 JYACDRCQUMIUTB-FAYQHZLMSA-N 444.322 -0.473 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749749 NLCXYVHAOFCZRX-AFIMGQEJSA-N 441.492 -0.579 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797967033 VGWBCADQSQEQOJ-JSFFLRCESA-N 434.331 -0.242 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2)[C@H](F)Br 1799352290 OEYPNRDTYFWSRX-MBLNEYKQSA-N 434.184 -0.055 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804191203 WJFGZNKVDQMYLK-ZQIUZPCESA-N 437.884 -0.107 50 20 IBGD Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cc1O 1804893280 PHQVVCAYFHJUBO-JXFKEZNVSA-N 449.276 -0.166 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1807365205 SNCAHLALAKFHNZ-QRFRQXIXSA-N 436.277 -0.640 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CCC(N)=O)[C@@H]1c1cccnc1 1810305026 IOXPQGJBWONDLM-AUUYWEPGSA-N 439.476 -0.335 50 20 IBGD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cnnn1 1822854525 YCQJNCWMJSFFGX-BLLLJJGKSA-N 438.257 -0.357 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196230 VUYPRWCBJPUVNC-GOSISDBHSA-N 426.286 -0.714 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830734016 ZBZFKUOZNMOURN-BEFAXECRSA-N 437.884 -0.672 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833542485 ZBFRLBNMFJVBGO-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1833853195 UWWHSVYAKPBHOI-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3csnn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797808 ITJJCNAOARFSBZ-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838395438 QLTBDBOFOLIKCV-UHFFFAOYSA-N 443.460 -0.615 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)n1cnnn1 1839154978 FIZRBDCSFIUJCC-DAXOMENPSA-N 435.312 -0.073 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840185157 LSCSFFYBZAFHIX-OAQYLSRUSA-N 449.508 -0.841 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014727 UVDXKFMUEZPSCE-HNNXBMFYSA-N 433.270 -0.974 50 20 IBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)[C@H]1SC(=N)NC1=O 1844264216 USHKHPIOHODDJO-GXFFZTMASA-N 445.505 -0.695 50 20 IBGD CSC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 728373314 ZMCZVTBUXDURQN-WUHRBBMRSA-N 431.536 -0.525 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 729277156 SVSGLKRWIHCOCU-UWVGGRQHSA-N 447.311 -0.113 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C#N)c1 754257132 KMLRSSCPRJBGKZ-ZETCQYMHSA-N 425.286 -0.432 50 20 IBGD Cc1cc(O)cc(=O)n1CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 760122694 KEGKGVDKDWEQKQ-UHFFFAOYSA-N 435.506 -0.058 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)O[C@H](C)C2 763996111 BSGSFKQWZZKHNB-MNOVXSKESA-N 425.463 -0.071 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(-n3cccn3)cc2)n(C)c1=O 765732481 VRHRYQIAJKXGIE-UHFFFAOYSA-N 436.432 -0.991 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 788022755 HJPQLZCTDZYHSN-KBPBESRZSA-N 445.519 -0.660 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ccn(C)n3)CC2)cc1 794392979 MCWRUOVVVCXGHB-UHFFFAOYSA-N 448.549 -0.185 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1CCOc1ccc(F)cc1 800690867 RHRAERWBHHPZPW-SNVBAGLBSA-N 428.446 -0.497 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ccc(-n3ccnc3)nn2)c1 804957739 TUKWLLCYLMGPEX-UHFFFAOYSA-N 444.477 -0.214 50 20 IBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 806273123 QPFYIEFUSRVXCP-MRXNPFEDSA-N 438.506 -0.592 50 20 IBGD COC[C@@]1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 813420771 MWGJUFMFQJZXBU-SJKOYZFVSA-N 434.515 -0.223 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1778354026 HAGTWUKVJXUBPQ-HXUWFJFHSA-N 440.617 -0.168 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781430574 MHPJXQDVYSNWKS-OAQYLSRUSA-N 426.282 -0.607 50 20 IBGD COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)CC1 1783214583 ISUHXZLLSUIDGU-BTVXTAIASA-N 445.476 -0.097 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791292504 VTIOMWDUJQDRSP-XSLAGTTESA-N 439.557 -0.356 50 20 IBGD Cc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c(=O)[nH]c1C 1794613332 HCFPUZJORNRPIX-BTTYYORXSA-N 439.476 -0.049 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccn3c1)C2)c1ccc(B(O)O)cc1 1795734655 XQZARUMMVSNYEF-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2)c1cccc(B(O)O)c1 1795739272 YCAMRYYCOPWJLT-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1Cl 1795905571 CKJWMBSLAJCZNQ-FVCICTRLSA-N 446.700 -0.178 50 20 IBGD CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1798722324 VKRVDQIBLMMMTJ-HGKCTWBKSA-N 426.282 -0.339 50 20 IBGD Cc1cnn([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801337117 OLRYQRDMTOEIHM-VYCZESIESA-N 426.282 -0.664 50 20 IBGD Cn1ncnc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805276194 UTSDKFOJQSESIC-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808235121 XISKIGFJRKXCCW-BXWFABGCSA-N 447.540 -0.093 50 20 IBGD CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302848 MTOHXVMIINTBAR-RHSMWYFYSA-N 439.476 -0.512 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811458452 PUUPYJSPJSOOSN-QRWLVFNGSA-N 441.492 -0.143 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1821956518 DYIYLYOSQWCVPO-XJKSGUPXSA-N 425.254 -0.469 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830370493 QXOBYCUQQFIWAB-LJQANCHMSA-N 427.885 -0.367 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1830535296 LXJOUMUKCOGCGM-BFQNTYOBSA-N 434.287 -0.418 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725497 JFEJWFOXJMGIEO-APWZRJJASA-N 437.884 -0.513 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831131003 TYZMVEDFEGGIGP-FQEVSTJZSA-N 426.514 -0.569 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831645822 GKXUGDHVHVNDKE-YLJYHZDGSA-N 438.717 -0.156 50 20 IBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CC1 1836666067 QGXFAXCDCRIBAP-HXUWFJFHSA-N 430.977 -0.045 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1843417063 RTSXKWJIJGILFK-LPYMAVHISA-N 426.433 -0.751 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)ccc21 1843733669 OBZNBWZJCOAEFE-UHFFFAOYSA-N 448.288 -0.312 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 742617767 AKERCUVZOSLBMQ-JHNDHUHGSA-N 434.474 -0.267 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 749847218 AQNAEXWWURTURO-ZETCQYMHSA-N 430.917 -0.803 50 20 IBGD Cc1c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1CC(C)C 757800992 FWSWKCYHDBGOGW-UHFFFAOYSA-N 431.457 -0.552 50 20 IBGD Cn1cc(C(=O)NNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cn1 758061590 AFZLJAWNENAIRV-UHFFFAOYSA-N 428.409 -0.233 50 20 IBGD Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758527359 JPYBFIHBNRRFDL-UHFFFAOYSA-N 429.318 -0.888 50 20 IBGD Cc1nn(C)c(C)c1C(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F 764813284 YQRKCGOPBCBLBX-UHFFFAOYSA-N 440.386 -0.133 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(I)cn1 773545988 MQVYYUDJSUUXEP-MRVPVSSYSA-N 436.206 -0.176 50 20 IBGD CCOC(=O)c1c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 775767920 UXJSZWQTBRBECT-LLVKDONJSA-N 441.466 -0.230 50 20 IBGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2CC1 1117055323 DCAIVFHDCOBXJO-OAHLLOKOSA-N 429.520 -0.622 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1782757831 MBXQYMNKXJWVMF-MELARPHDSA-N 442.480 -0.197 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1783877775 PRHAVQKLHZJEKC-HDMKZQKVSA-N 434.873 -0.435 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1783937869 YHJINPFVIOFMHM-AVRDEDQJSA-N 432.521 -0.207 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784351380 YMOKXPPZTHFSJI-AOMKIAJQSA-N 438.293 -0.662 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790174371 ZOXYOMNGKLOZPF-DKBOKBLXSA-N 435.905 -0.591 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208350 AHFZHXVOYHKFHW-ZVXAKGHKSA-N 429.271 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1809467104 JMKAOYIMGMAFFF-MRXNPFEDSA-N 428.493 -0.192 50 20 IBGD CN1N=C(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CCC1=O 1809974838 ADNQHBMMMYRXLI-UHFFFAOYSA-N 440.309 -0.181 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298146 GOJCWDOJAKKOHP-YOEHRIQHSA-N 449.475 -0.158 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1813030454 HHCYHPPYLNTIIO-MPTYRVRUSA-N 425.917 -0.066 50 20 IBGD CC(=O)NCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360122 NIXAMNCMKODPSJ-AWEZNQCLSA-N 430.295 -0.425 50 20 IBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825240300 HYEVFNPIABBWQX-LLVKDONJSA-N 445.505 -0.106 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835845755 VTROXSUGZKBHFF-QZTJIDSGSA-N 446.976 -0.037 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1835926517 PSACCWMVBUVFFI-LJQANCHMSA-N 438.236 -0.518 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932039 LFYSTCLLKMDSHV-VFNWGFHPSA-N 432.282 -0.948 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccn1 1840185943 UOSHQDZLMOYRQD-OXJNMPFZSA-N 436.513 -0.727 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442062 SDFNLIFHHRQLCV-UHFFFAOYSA-N 446.272 -0.024 50 20 IBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846340255 IJQLQKVZSJZCRV-ROUUACIJSA-N 426.278 -0.061 50 20 IBGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 17193154 SHTRMVYNXHCUQB-UHFFFAOYSA-N 435.448 -0.036 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)cnc2n(C)c1=O 746940966 DGEWFVLLKXCLJH-UHFFFAOYSA-N 436.384 -0.878 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 763662844 KVEZMVATUDRRQW-UHFFFAOYSA-N 440.409 -0.353 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 787600248 MTDKAIYPMMNZRJ-HNNXBMFYSA-N 435.414 -0.522 50 20 IBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(=O)c1 790483111 IYENUPPDQQDCIY-IBGZPJMESA-N 435.506 -0.030 50 20 IBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 799519277 FTENOERXAQZIJR-CYBMUJFWSA-N 427.460 -0.256 50 20 IBGD CN1CCN(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 804027931 IZCMUBZTNFOIMF-UHFFFAOYSA-N 439.538 -0.372 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)nc1F 1783386820 NQIPJWNFLDZFOP-JQFCIGGWSA-N 445.231 -0.053 50 20 IBGD Cc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1F 1785759721 XHAUCVBZSOJPAZ-BPUTZDHNSA-N 430.245 -0.556 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1788610582 ZYYSCZKUSIQQHA-NUTKFTJISA-N 425.449 -0.618 50 20 IBGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cs1 1795732776 IIMVRLSOMXXEMM-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2c[nH]nc12 1796175319 PDLISKXDFDSYHE-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370917 NMIBTFMYQMJFRS-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807800803 QAUBDXPOCZHXOT-VQIMIIECSA-N 434.265 -0.179 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1813070472 GZRPDXQYWHUDMW-GCJKJVERSA-N 446.552 -0.207 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817298884 WUCBCEVVFWMYNI-AWEZNQCLSA-N 433.517 -0.385 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1826004584 NPSJJLXMQALVMZ-DTWKUNHWSA-N 432.886 -0.148 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1826085502 XIURRBOJQIVOJW-MNOVXSKESA-N 439.542 -0.979 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cn[nH]c3)CC2)CC1)c1cccc(B(O)O)c1 1834800087 PQUNRCVNKFJRRU-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD O=C1CCCN1CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822459 OKRBIHDQPXGVKU-KRWDZBQOSA-N 432.315 -0.150 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835637353 AVTGUZHSZMTTAH-DLBZAZTESA-N 436.340 -0.481 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)C1 1835926716 ZXTYSLHDLOEUCI-CNNODRBYSA-N 428.294 -0.518 50 20 IBGD CC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457616 LEGYXYWKFPHEGK-GOSISDBHSA-N 427.408 -0.590 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1840183762 YMGPNEQQLPLCIF-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056698 LDVHRFNJEPIADC-UHFFFAOYSA-N 433.320 -0.956 50 20 IBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 726436252 WRFZFQRMTOZOIR-UHFFFAOYSA-N 446.518 -0.317 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cc1[C@@]1(C)NC(=O)NC1=O 728856246 KMPQBBUGAOIPPE-GOSISDBHSA-N 433.446 -0.303 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 729274849 FSKZLFKIPVVVGK-YIYPIFLZSA-N 428.511 -0.563 50 20 IBGD CC(C)CN1C[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1=O 735117010 KUCQHXFPUCYXOO-OAHLLOKOSA-N 438.554 -0.035 50 20 IBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 741652145 FERPRXZPYLYKSX-JTQLQIEISA-N 425.872 -0.194 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 748278766 FINOHYTXTZBBQV-OAHLLOKOSA-N 432.414 -0.607 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)C(=O)N1CCCC1 760808741 KTSBMWGVUWUJPF-ZDUSSCGKSA-N 425.486 -0.338 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 764300022 KSEYQZMODPYPOZ-UHFFFAOYSA-N 449.436 -0.907 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc2c(cc1Br)OCCO2 764423497 AUUOFHWBVDPATP-LBPRGKRZSA-N 430.211 -0.278 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n(C)c1=O 766641012 WVIWHFWXAIIZNC-UHFFFAOYSA-N 449.811 -0.615 50 20 IBGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1116176941 NQCHXSCLANVSOH-JPIRQXTESA-N 442.476 -0.609 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1779028217 MJFWYNMTEPUHSH-IBGZPJMESA-N 444.404 -0.056 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029167 MEFIPCYNHUBODP-UZLBHIALSA-N 432.481 -0.957 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416932 LKKOUGQYXWECGX-LJQANCHMSA-N 443.420 -0.321 50 20 IBGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cnn1C 1788610633 NMJLCPWQZWFAFE-KKXDTOCCSA-N 441.492 -0.366 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 1791289248 PPCPTUKJQBHYLW-BPUTZDHNSA-N 440.932 -0.111 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1791291143 NDELVHSILLVZHL-ZVZYQTTQSA-N 443.508 -0.304 50 20 IBGD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1796733882 HGXBGKVLRJVKKF-DRXBFXEBSA-N 430.490 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CC(=O)N2 1797331808 YZUWLIXUICSNIA-VPTLXERWSA-N 443.504 -0.243 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249993 AKKUADDFJANAQI-JSGCOSHPSA-N 436.517 -0.632 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471256 IYLCRCJBNYNPQQ-HNNXBMFYSA-N 434.283 -0.560 50 20 IBGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1cccs1 1830726872 UYUTWLGVSZKPLL-FZKQIMNGSA-N 445.925 -0.466 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831593743 PKCQPFSADQBBAO-SOAGJPPSSA-N 426.489 -0.292 50 20 IBGD CC(C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798070 QVPAJYPZTZBVNB-FQEVSTJZSA-N 431.342 -0.432 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C)n1 1840183705 VCBIYBOWQXRYRH-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 728434780 PTXLKGPGKQXPES-CQSZACIVSA-N 447.583 -0.306 50 20 IBGD Cn1c(CC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)nc2ccccc21 742473509 BOUSWDMXYYHIRF-UHFFFAOYSA-N 429.458 -0.164 50 20 IBGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 748245991 BVSWEXAQKHRFHK-UHFFFAOYSA-N 440.478 -0.901 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 755515292 LOYKBUVSHYTDFK-SNVBAGLBSA-N 435.528 -0.146 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756654265 JVMLXTCIUUGDDQ-UHFFFAOYSA-N 427.421 -0.155 50 20 IBGD CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764435836 XKSLWOAGLKVLTC-CQSZACIVSA-N 442.494 -0.594 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 794061887 PJJZPBMHZDXKRU-MRXNPFEDSA-N 433.446 -0.210 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnc3c(c2)nnn3C)CC1 1320263490 LFCFZXVVIALAKZ-UHFFFAOYSA-N 431.482 -0.549 50 20 IBGD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cnn1C 1779031812 XWZKPJRVQACTNT-FQEVSTJZSA-N 427.465 -0.516 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1779032454 KOBHXSSHJYFEBJ-IBGZPJMESA-N 443.420 -0.321 50 20 IBGD Cc1nnc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)o1 1782211811 AFNKWQASUKQNLL-FOIQADDNSA-N 436.513 -0.193 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786893082 WBDRCJXWILDTTM-YHQUGGNUSA-N 433.347 -0.268 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2ncnn2c1 1788450282 DFQGNYNRFRTVNP-WDSOQIARSA-N 449.276 -0.684 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788738740 GHCZZWQCEQVCAY-XIVBQZFQSA-N 445.325 -0.736 50 20 IBGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1792963796 OHIMHAWRJZVECS-LXJHJBAVSA-N 444.293 -0.841 50 20 IBGD Cc1ccc(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795736999 SYJQFQHQOPBWEO-OPVJXMOQSA-N 436.273 -0.239 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)C2 1796189998 QASRPOLHJDEMRB-CLLJXQQHSA-N 446.162 -0.027 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2cnccc2[nH]1 1797517716 LQJWNUCOJSSWPB-CWPLJXCYSA-N 434.261 -0.240 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810493492 PEZMQAFHDILUCE-LBPRGKRZSA-N 437.888 -0.089 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359803 GOHVEQBPKGDVIE-IINYFYTJSA-N 430.295 -0.427 50 20 IBGD O=C(C1=CCCS1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831548562 NDECMZOYAJEPKW-FQEVSTJZSA-N 432.307 -0.543 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199874 XOAMHYKFXFLZNC-FIXISWKDSA-N 439.282 -0.420 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840160598 MVLATTHUKSFBII-GSKBCXBYSA-N 437.522 -0.105 50 20 IBGD O=C(NNC(=S)NCCc1cccs1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21125212 LVZIFFWEBJPIOY-LLVKDONJSA-N 443.576 -0.049 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 744415578 SKBZJEHOCVHTFV-UHFFFAOYSA-N 432.462 -0.545 50 20 IBGD C#CCOc1cc(F)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756742381 LOLMNXDSDTVDQL-UHFFFAOYSA-N 443.395 -0.562 50 20 IBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(Br)s2)CC1 759692606 PNZQNILUVSVUEX-UHFFFAOYSA-N 425.330 -0.151 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764432804 JVNUUYVWAMHWGX-AWEZNQCLSA-N 428.467 -0.782 50 20 IBGD CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1C 764434610 QWMQWEIWWULNJO-AWEZNQCLSA-N 428.467 -0.352 50 20 IBGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764435868 YDDIQPVKVIQKSR-WFASDCNBSA-N 442.494 -0.594 50 20 IBGD C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764817368 OWXJBWITWLKMBK-AWEZNQCLSA-N 438.492 -0.157 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1777982144 VPUKVEFWIAFIOH-STXHMFSFSA-N 440.545 -0.680 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1778792084 QJFMAUZSIHBRMU-RXVVDRJESA-N 432.282 -0.602 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778970878 GMMVAGQZQBYCBF-IIBYNOLFSA-N 431.493 -0.298 50 20 IBGD O=C(CCN1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786577676 FIOIHRZGBOXIKE-JBACZVJFSA-N 443.353 -0.164 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984576 TYJOXTYINGXHFS-YSSFQJQWSA-N 441.268 -0.264 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n(C)n1 1788944596 PSWFVTWNRWKRNP-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975530 UCSRRKCQEHZFHF-NDKCEZKHSA-N 435.905 -0.939 50 20 IBGD Cc1ccncc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737365 WNUDGVVBENZFCA-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799255281 MOXCTOXWHDDXCE-FQLMCAECSA-N 449.932 -0.283 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837098241 YUKVYOZUCYBRPZ-NRFANRHFSA-N 448.524 -0.728 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459385 FCAPMOLIPAMQMH-VFNWGFHPSA-N 448.524 -0.905 50 20 IBGD O=C(c1nc2ncccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188521 OAPPOWUGEXOMIY-INIZCTEOSA-N 429.264 -0.002 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448862 OIARAGWKVHJGBB-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1nc(-c3ccccn3)nc3c1CCC3)c(=O)n2C 747983439 TXLODKPPAHFALE-UHFFFAOYSA-N 447.459 -0.082 50 20 IBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n1 756645215 IKUUHWBQRPSEDL-UHFFFAOYSA-N 438.466 -0.162 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 764231714 PCUJVGKXJIDICT-LLVKDONJSA-N 439.494 -0.617 50 20 IBGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2Cl)CC1 764431709 FLHIOAVFAWJUQS-HNNXBMFYSA-N 425.873 -0.407 50 20 IBGD COc1nccnc1NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 766261313 SFGBIYGRNWJYFC-OAHLLOKOSA-N 442.432 -0.419 50 20 IBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 777906099 RRJAZOIXYXIVML-CYBMUJFWSA-N 432.524 -0.472 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 787886419 OBGJQVJHRKNNFG-WDEREUQCSA-N 444.514 -0.167 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)c2)CCN1 812980304 OVIUWQGTAVJGOU-SFHVURJKSA-N 437.456 -0.292 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778241735 AWZNXGJTKVAXQD-OFNKIYASSA-N 436.273 -0.186 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)nc1 1784086800 OBPSJKMAAAXRFB-MZGVZZPPSA-N 445.925 -0.322 50 20 IBGD Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c(=O)nc1O 1785351461 YBNCOBGTMXFMCO-IBGZPJMESA-N 438.557 -0.061 50 20 IBGD CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786373345 WPVFLGBIRRSKDD-AMGAKCQWSA-N 430.266 -0.921 50 20 IBGD COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787721287 MZVXWEWAXBABGI-WBAXXEDZSA-N 443.265 -0.592 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n(C(F)F)n1 1795735288 VZIKOJVMUQOUMP-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD Cc1nccn1CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736743 DYYQVIRDWVSFJI-RMFSNUHRSA-N 440.309 -0.445 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccsc2n1 1797486278 AECCQTVYRIGJOM-FVCICTRLSA-N 434.522 -0.028 50 20 IBGD O=C(CCc1cccc(O)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801123938 LNXBKBDVURCMKG-OPMZPASUSA-N 438.289 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807617412 LCUBQNUFMIZTEC-KXBFYZLASA-N 429.485 -0.853 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822532347 UPFBINLISFKLMP-AWEZNQCLSA-N 445.480 -0.300 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051087 MVHLYTFYCWGBBS-RTBURBONSA-N 444.341 -0.808 50 20 IBGD O=C1C[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827060476 KYRWEAGEJRUKTL-PKOBYXMFSA-N 427.310 -0.264 50 20 IBGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399443 KTJJQXILWUKFBM-ZIAGYGMSSA-N 437.888 -0.354 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833617517 KDUABYLXZSNNFR-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839146359 XOXPKOXKPPCWNO-KXBFYZLASA-N 439.900 -0.228 50 20 IBGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)N(C)C)CC2)cc1 765332485 YUNGTYBEFDQPPJ-UHFFFAOYSA-N 441.510 -0.389 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)C(C)(C)O)c([N+](=O)[O-])c1 768255200 GPWHZQACEPNTRC-UHFFFAOYSA-N 432.455 -0.078 50 20 IBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc21 778438491 UHYTYJXMNDYYJV-UHFFFAOYSA-N 433.465 -0.003 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)COc2ccc(Br)cc2)C(=O)C1=O 916108544 MUEFSMLMRBYOGR-UHFFFAOYSA-N 427.255 -0.334 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783342992 LKKSDKAFIXVGJQ-MEDUHNTESA-N 431.287 -0.458 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783528939 DOFXINITLNEAES-YWPYICTPSA-N 440.360 -0.073 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784488002 DHXISYQCEFMJON-OPAMFIHVSA-N 439.277 -0.328 50 20 IBGD CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)CC1 1788195319 XFBJFGXVFMTRQH-RZLSGREXSA-N 435.338 -0.096 50 20 IBGD Cc1nc[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610424 QVWQVMSCJOVAHJ-RCBQFDQVSA-N 427.465 -0.376 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791249330 IPEAZQHEPNQJNU-QTVXIADOSA-N 439.962 -0.452 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2)[C@@H](O)CCl 1792975222 MNHZASAWOUSYCW-BEHLRCOKSA-N 427.929 -0.033 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793775077 BCKJOOCFYOPISN-ARULTKQDSA-N 427.929 -0.033 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc[nH]1)c1ccc(B(O)O)cc1 1794306381 CKXYTURXVMJJNN-BCDXTJNWSA-N 438.293 -0.234 50 20 IBGD O=C1Cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)ccc2N1 1795739175 QHVWPGSIXMZISR-UPHUGPLXSA-N 449.272 -0.622 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798552118 RXIWKTUGBJXPQG-JONQDZQNSA-N 445.524 -0.394 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 1801209318 FMLRQYHCWUTGGP-IVWMJMPLSA-N 427.465 -0.756 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831488003 UQZKLKRYQKQXDE-XLIONFOSSA-N 436.339 -0.609 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832684470 CYASTTZYZWNTDA-ZJNRKIDTSA-N 430.889 -0.552 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc21 1834562618 ZWUPFSLDYPHUSE-GUYCJALGSA-N 429.836 -0.769 50 20 IBGD O=C(c1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929140 BOEDXYFCHOJXHA-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1835935384 QCSQRUXMJZKAMO-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839142316 MBHSPEZBKBFURT-KUHUBIRLSA-N 427.885 -0.225 50 20 IBGD CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 11293258 QFOHWKCQABLHAV-INIZCTEOSA-N 449.441 -0.261 50 20 IBGD NS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725739349 CEZUXLQHMBOFJO-UHFFFAOYSA-N 445.251 -0.120 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 729530388 AOAJYXIPJZDUJV-CABCVRRESA-N 430.417 -0.071 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732472560 DJXSEYDVBDSDKL-CYBMUJFWSA-N 430.483 -0.410 50 20 IBGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 735039682 CJFWTKXHAKULQE-NWDGAFQWSA-N 433.508 -0.378 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)ccc2O)cn1 743731963 FOFJJHBYSHUFIC-UHFFFAOYSA-N 432.256 -0.372 50 20 IBGD O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)C(=O)N1CCCC1 748445677 RGSYVXBMXJAMAL-UHFFFAOYSA-N 445.523 -0.778 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cc(Cl)cc3c2OCC3)n(C)c1=O 755517655 QEJPYRSBSZRZSS-UHFFFAOYSA-N 446.851 -0.588 50 20 IBGD Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cc1 758034787 MZBUDOBADJNLRP-UHFFFAOYSA-N 440.503 -0.028 50 20 IBGD CCNC(=O)N(C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760496199 MJADQYYBGQTOCR-LBPRGKRZSA-N 443.482 -0.937 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 764232143 RRVOSFJEZPMHMY-YFKPBYRVSA-N 443.226 -0.249 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1Br 785991094 ORLLSELNSCOEPK-YFKPBYRVSA-N 443.226 -0.249 50 20 IBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915802885 WGVVPQFEKICVNN-UHFFFAOYSA-N 447.535 -0.461 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781029715 PYWFRJMWGLVPFF-DYESRHJHSA-N 430.509 -0.387 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1783967905 ZFSBFGDRUIYLES-WNZSCWOMSA-N 448.358 -0.352 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789975628 XNAZLLBVPCOWIB-VDGAXYAQSA-N 440.309 -0.458 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1)C2)c1ccc(B(O)O)cc1 1795734310 CSRYKCRPXZXHAI-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1N)C2 1796440616 VBCQCUBGGUNOSS-NNGSTNBRSA-N 443.464 -0.098 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797779320 FUTMMNCCDFEGOW-BKEDOTJMSA-N 433.513 -0.760 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1800791139 ZXJNIGJZCLLMRW-KBTBUAAOSA-N 429.477 -0.544 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807119965 XNEXUAXPTLPKPX-OXJNMPFZSA-N 444.540 -0.700 50 20 IBGD O=C(Cn1cncn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807596306 KBFVYFVMAISQMZ-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1830985621 OBTPUNLFOWOGQB-JXFKEZNVSA-N 436.513 -0.727 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306153 KOZCIHLLSOLBNF-XJKSGUPXSA-N 437.990 -0.162 50 20 IBGD CC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797844 DAKGGPMAFWTCAP-UHFFFAOYSA-N 429.326 -0.079 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835293098 QLOOVMRBHCSLTA-RBBKRZOGSA-N 448.520 -0.451 50 20 IBGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836468974 YWSOUYIHGZVMFF-LIRRHRJNSA-N 441.868 -0.478 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)C(=O)O 1839198868 DSGFAYPVYIPXIH-GMXABZIVSA-N 440.266 -0.804 50 20 IBGD O=C(c1cnc(O)nc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198978 HBSQTFCYLDROAF-BMIGLBTASA-N 449.233 -0.352 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1840182278 CXMHLSNWPIWUES-INIZCTEOSA-N 442.410 -0.284 50 20 IBGD COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846340291 JNHCOXWJFQOZDS-ROUUACIJSA-N 426.278 -0.061 50 20 IBGD O=C(COC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)NNC(=O)[C@H]1COc2ccccc2O1 751669121 FITRAJPJLVTXHZ-XHDPSFHLSA-N 429.389 -0.707 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753612075 QWSLJDNOASOGDK-HNNXBMFYSA-N 445.519 -0.564 50 20 IBGD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 755088386 XQPJSGISBRSOFC-OAHLLOKOSA-N 441.496 -0.355 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 764226434 IRBUWYOFVGSDRZ-GFCCVEGCSA-N 432.458 -0.059 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032351 NXGGYTUZQBRADN-IBGZPJMESA-N 435.557 -0.020 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)CC1 1781330529 YVABHGAZTKOPHR-DOTOQJQBSA-N 449.321 -0.329 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786986498 HJFOSEOVGGUOBP-LQJIQPLVSA-N 440.309 -0.274 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791540034 IQFLASQUAYHWSG-RKOFLFEYSA-N 441.916 -0.964 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 1794009794 PKQJXJFGFAIVIR-IVWMJMPLSA-N 427.465 -0.756 50 20 IBGD CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nn1 1798705058 RPBVBHDUNRQHAD-JLVBRIDZSA-N 441.297 -0.770 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1800982657 IKQOMSSOEJYXEW-MIJXAVMKSA-N 435.955 -0.310 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C(F)(F)F 1802377569 NFQBZYAAFAOGSY-JGPRNRPPSA-N 442.398 -0.385 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365442 OYTXYRVFUZFDKQ-RYQLBKOJSA-N 431.685 -0.319 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807604848 XHIPGLYIZCRKJQ-UZLBHIALSA-N 428.497 -0.248 50 20 IBGD CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)CCC(=O)NN(C)C)CC2)C1)C(=O)O 1809840075 XIJCUYFTDHKRIP-OAHLLOKOSA-N 425.530 -0.347 50 20 IBGD O=C(Cn1nccn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360621 VQKBKXHAASRBRQ-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1c[nH]c(=O)cn1 1820246895 SWUSSYCUMFDZHB-MRXNPFEDSA-N 436.237 -0.208 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1830358576 PMNWUCYJWFWSJY-KPZWWZAWSA-N 430.889 -0.694 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832192789 DZCPTXHYIULQFQ-MRXNPFEDSA-N 442.410 -0.284 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404660 JWWKXSSNAFRNPR-YLJYHZDGSA-N 446.976 -0.666 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 729275035 JSWNQYQBSRFWDB-STQMWFEESA-N 432.524 -0.828 50 20 IBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 751272306 TWHSIQNGXSAYKW-SECBINFHSA-N 425.872 -0.194 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 756836949 ZTHCDXVHYIOKNQ-UHFFFAOYSA-N 430.425 -0.438 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 763644266 HNEBYTHZNITRAX-UHFFFAOYSA-N 444.492 -0.003 50 20 IBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 763888553 OPQUUDRGOFITPR-UHFFFAOYSA-N 425.511 -0.245 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779622724 QZAJOBFCZNRXBP-GOSISDBHSA-N 438.550 -0.189 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc2c(cc1Br)OCCO2 783998578 CKJRJCDOPUNTLA-UHFFFAOYSA-N 441.238 -0.071 50 20 IBGD CCCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 808088561 IYVYZOIJBLLGIV-SNVBAGLBSA-N 427.526 -0.883 50 20 IBGD COCC1(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CCOCC1 810414647 ZJUVYRPUCXSBQB-UHFFFAOYSA-N 427.527 -0.096 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1 1780356416 VIOAWXMWFPLURT-NRFANRHFSA-N 441.297 -0.530 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092633 OKKQFJWCBRRUCG-QMHWVQJVSA-N 434.873 -0.939 50 20 IBGD COc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786010757 YSLGPNCJYYPDLJ-SNRMKQJTSA-N 439.277 -0.323 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ncccc34)[C@H]2C1 1787377975 LRXUORMQXURQIV-ZVZYQTTQSA-N 443.508 -0.304 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)[C@@H](F)Br 1789922150 CYMRGUYMCCAGJM-QFOLPQNPSA-N 446.210 -0.619 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(O)c3)[C@H]2C1 1791110286 PLKYUFRTWDKNFR-IGNZVWTISA-N 440.460 -0.307 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1791290842 BBJMJPGGJONXRU-JYJNAYRXSA-N 439.513 -0.819 50 20 IBGD Cc1c(F)ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1N 1795734762 OYYOLKREYWMDTP-YVWYUNDQSA-N 441.268 -0.087 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2[nH]ccc2n1 1797395293 DBRJGDNJWDBILI-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799275082 MTSUENMWTUHXPL-HRJSJKBJSA-N 429.109 -0.194 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800975839 VGFPELGCWZDBJY-QPPBUOOMSA-N 446.913 -0.705 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812653336 CWDJCCPIJADIBD-ZTQAJYAQSA-N 432.525 -0.015 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819792936 DSOZGNZQPZATQK-UFBFGSQYSA-N 445.461 -0.524 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825216426 PKBFPRFJTFVQIM-QMTHXVAHSA-N 430.295 -0.427 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362386 UVVVROWHUQMFDU-ACJLOTCBSA-N 435.905 -0.228 50 20 IBGD O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728599 VVHPADUPFXPTCK-DNVCBOLYSA-N 426.901 -0.042 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833554498 GYARGSKXTUKGLI-IBGZPJMESA-N 449.656 -0.608 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835999249 GGIMNKRFIFZDLU-DNVCBOLYSA-N 427.885 -0.442 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840152162 ZNDAOHYIUMKTOG-KXBFYZLASA-N 430.933 -0.022 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840550172 GVMFPVSPSDVURQ-OCCSQVGLSA-N 445.307 -0.432 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847568730 JNUGTSGSQYCMOC-ZDEQEGDKSA-N 432.905 -0.443 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16203363 SYAUJTQVYBCBPB-NSHDSACASA-N 432.412 -0.422 50 20 IBGD CN(C)N(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@@H]1CCS(=O)(=O)C1 728160894 BWOCSWKWWPEEBV-SECBINFHSA-N 447.315 -0.615 50 20 IBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1=O 733125592 ORRGSOCUKIDJHH-WBVHZDCISA-N 426.481 -0.244 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 744447060 UNZKISAINHBQJZ-STQMWFEESA-N 426.495 -0.230 50 20 IBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccn(CCN2CCOCC2)n1 756645701 JEKXYSOUVYGOGT-UHFFFAOYSA-N 426.441 -0.343 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763823577 IHNSZGDLNSNWBE-UHFFFAOYSA-N 435.462 -0.803 50 20 IBGD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764234786 ZSERBJWJWBYUGB-LBPRGKRZSA-N 441.510 -0.596 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1 770436447 VMESVXPNPBHRCF-HOCLYGCPSA-N 427.527 -0.335 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785659625 CFVXXVIMQNGKQB-KRWDZBQOSA-N 432.477 -0.520 50 20 IBGD N#Cc1ncn(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 807509535 LDDSJVZYCJENJR-UHFFFAOYSA-N 432.466 -0.422 50 20 IBGD COc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1O 919756073 QEZBHCQEQQFRFN-UHFFFAOYSA-N 448.457 -0.404 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N[C@@H]1CCS(=O)(=O)C1 919886208 RFMPTUZPZLRWIA-NWDGAFQWSA-N 438.462 -0.672 50 20 IBGD Cn1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1318104996 UTRZNKLSKIKWJO-UHFFFAOYSA-N 429.480 -0.936 50 20 IBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 1318646082 CPIWUCDKSVNDAN-UHFFFAOYSA-N 431.540 -0.683 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1778793706 ZNPCYUUFOJGQNI-WIYYLYMNSA-N 432.282 -0.602 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782705307 SVDXJOOCASVLPJ-VLIAUNLRSA-N 434.254 -0.629 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1783933654 CBOLCGAIQJGKLC-GCJKJVERSA-N 431.537 -0.068 50 20 IBGD CN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786981949 HSAJNLAOPJZKTM-IHPCNDPISA-N 429.326 -0.699 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4nc[nH]c34)C[C@@H]21)c1cccc(B(O)O)c1 1786984648 YAKJZKXVZGUQQQ-ZVZYQTTQSA-N 449.276 -0.455 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788415681 GUOKPTYNPIAQCD-ZVZYQTTQSA-N 432.525 -0.204 50 20 IBGD COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CC1 1788609811 LLBZYVOQGFLCEO-RCBQFDQVSA-N 445.476 -0.768 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736848 NGPFTLQUANZGTQ-IKVITTDRSA-N 425.088 -0.647 50 20 IBGD COCCOCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806756588 PMWSKAQGLUOCTC-GHTZIAJQSA-N 441.293 -0.256 50 20 IBGD O=C(Cn1cccn1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834881606 MZJSPRBGFARYLG-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835845751 VTROXSUGZKBHFF-MSOLQXFVSA-N 446.976 -0.037 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)n1cccc1C=O 1835951751 HFOCPCKQLAKEGG-OGWOLHLISA-N 427.885 -0.082 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837457199 XRBXCVFFPROOLZ-OAQYLSRUSA-N 440.460 -0.536 50 20 IBGD C[C@H](CN)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837831886 LGJCCVIGIZAMSN-CQSZACIVSA-N 432.525 -0.108 50 20 IBGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CN1 1837920134 MWEQGPWFRKACQT-INIZCTEOSA-N 443.309 -0.885 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1840186061 YIEMBVUXGPYZGT-BEFAXECRSA-N 428.555 -0.289 50 20 IBGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c2ccccc2c1=O 742473537 CLCUQXFDDDVGCB-XOUADPBQSA-N 439.428 -0.660 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1C 743821664 UPYNEZHJGAXOIH-MUIFIZLQSA-N 428.445 -0.058 50 20 IBGD C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 745699483 GBTWMOGMJNBNDB-HZUKXOBISA-N 437.449 -0.571 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CNC(=O)c2cccs2)c1=O 751210060 YLBHWTKOCLQVCL-UHFFFAOYSA-N 429.458 -0.178 50 20 IBGD Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758037987 BPEANCRFYJFXQQ-LLVKDONJSA-N 434.540 -0.229 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)c2cnn(C)c2)cc1C 760354112 WQYZCICFDNAHEP-OAHLLOKOSA-N 436.494 -0.589 50 20 IBGD Cc1cc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(C)c1F 765123897 KEFCQGVGAWIRFJ-UHFFFAOYSA-N 438.441 -0.801 50 20 IBGD O=C(NCC(=O)N1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 776639101 HFSSEXJFURRPMU-UHFFFAOYSA-N 439.494 -0.726 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978466 CJVZDUCBTHQCRI-HOCLYGCPSA-N 437.456 -0.193 50 20 IBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(NC(=S)NCC(=O)N(C)C)c1 1317946459 WYZOOSSMTNMGOP-UHFFFAOYSA-N 439.567 -0.742 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)n1 1320271305 NPCYWXCUEGLZAP-UHFFFAOYSA-N 429.568 -0.664 50 20 IBGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1779031800 GAKBAECPMLZEQG-NRFANRHFSA-N 440.460 -0.154 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036953 KFLCIKAMSQZTIH-XCLFUZPHSA-N 449.464 -0.310 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780071241 FCNGUIVONLPKFU-IBGZPJMESA-N 447.521 -0.097 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1 1783864758 ITWIJZHONUCZDR-CYDGBPFRSA-N 435.905 -0.591 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791183252 ZPUMWJGRYDTQMF-ULQDDVLXSA-N 437.541 -0.648 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2 1797748384 UOATUUPAWNIPCS-JJLQDPRZSA-N 445.867 -0.355 50 20 IBGD N=C(N)SCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371527 WFAZTJOBFZTDGH-CRAIPNDOSA-N 441.322 -0.292 50 20 IBGD O=C(CCn1cncn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361435 FHWLZIWGJFDTKR-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD O=C(Cn1ccnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815773560 WENDADBBYBOFPG-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669448 UEROPXXUAOFWRG-MRVPVSSYSA-N 442.461 -0.757 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821969880 VFVRFPWJQTZSDL-YVEFUNNKSA-N 427.270 -0.080 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826935532 BRMUSKMSERJSAB-MOPGFXCFSA-N 444.341 -0.808 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829717534 USTLJRBPKWQPEW-MAUKXSAKSA-N 435.974 -0.255 50 20 IBGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(F)c1 1830726062 SZNZZJSFZQMZFH-KBXCAEBGSA-N 431.848 -0.101 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1831416732 RVBAVURZHJQTRT-MJGOQNOKSA-N 427.310 -0.264 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831697114 PXNGZCZYKZTNQH-HNAYVOBHSA-N 433.933 -0.141 50 20 IBGD O=C(CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)N1CCCC1 1832419671 NNDKSAJKIVZLQI-KXBFYZLASA-N 431.917 -0.555 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)CCC(N)=O)CC2)CC1 1835738100 DFCSAWBACVGRJZ-UHFFFAOYSA-N 445.524 -0.864 50 20 IBGD COC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837661196 UIEXVVVWAVIFMQ-UHFFFAOYSA-N 446.309 -0.068 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840185768 XEUBJFRNHPMTQW-OAQYLSRUSA-N 448.524 -0.728 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188836 GBIWAHIVSPJGKV-MRXNPFEDSA-N 432.264 -0.551 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840234089 TYIQTAWYKULQER-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)C(Cl)Cl)C3)n(C)c1=O 1841985280 OCCWYOFYPKDZAZ-UHFFFAOYSA-N 443.291 -0.559 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1=O 17195786 USXMDWBGQFZASU-UHFFFAOYSA-N 434.412 -0.119 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1nn(-c2ccccc2)cc1O 743293404 YJJJKGOXPIINQJ-MUIFIZLQSA-N 439.428 -0.109 50 20 IBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 743447844 PWFNNMPNPZPIGF-UHFFFAOYSA-N 435.462 -0.008 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 744641849 GESKFLMXCYSTGI-IUODEOHRSA-N 442.450 -0.442 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 746397742 QDCXSSVWSFSIDA-UHFFFAOYSA-N 431.453 -0.670 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Cl)cc1F 755976425 YNTKZIOQNNTRHD-ZCFIWIBFSA-N 431.851 -0.487 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 763471307 GXPXQAHWVRXCSW-OAHLLOKOSA-N 427.373 -0.104 50 20 IBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763815069 RZBGLYWIPJFKDZ-UHFFFAOYSA-N 433.490 -0.056 50 20 IBGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 764342696 HNNMNAGJWRWCGV-UHFFFAOYSA-N 425.511 -0.199 50 20 IBGD C[C@@H]1C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CC(=O)N1C(=O)OC(C)(C)C 766434739 RHOIYZBHIXGPKI-SECBINFHSA-N 440.482 -0.401 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1OC 767462346 QXVOTXLBYOPALB-INIZCTEOSA-N 433.509 -0.121 50 20 IBGD O=C(COc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1)Nc1cccnc1 768243754 XKKGLOWTKYZFQP-MRXNPFEDSA-N 443.416 -0.400 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(N3CCC3=O)c2)n(C)c1=O 790576094 IUENOXFXJOHVPK-UHFFFAOYSA-N 440.420 -0.977 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 915142141 UWQCFIRKWRKTLB-GFCCVEGCSA-N 447.535 -0.079 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3nc(O)nc(O)c3c2)cc1 915671670 YQMSNDCEEOHMBO-UHFFFAOYSA-N 446.445 -0.174 50 20 IBGD CCN(CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)S(C)(=O)=O 918119229 QJQBAACWUHEZPJ-UHFFFAOYSA-N 449.555 -0.448 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785520941 AXMCSWRBKSVBKF-OAQYLSRUSA-N 432.282 -0.601 50 20 IBGD Nc1ccccc1/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734835 WVELPMWDMIFAAE-PCLDGEOKSA-N 435.289 -0.135 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)n1)C2)c1cccc(B(O)O)c1 1795740375 ZLMQTGQHKMYIND-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCCN1)C2 1796443803 LRKSSGSNPLGVJI-DWCLWEAESA-N 430.509 -0.148 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)no1 1796869569 GQVNRMHPPCZDSC-BJWYYQGGSA-N 440.265 -0.057 50 20 IBGD COCc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798507883 LHBVDPBCVNOFPF-HGKCTWBKSA-N 427.266 -0.642 50 20 IBGD CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097217 JFIDRAGVPYSQEH-XEMDLRDOSA-N 445.520 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cscn1)CCO2 1834259926 SMCLPXUIFRZHEY-GOSISDBHSA-N 425.511 -0.414 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834356179 IULRTDZKIIALTN-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)C(=O)O 1834822330 HVBAYCFQEIIDAY-WBMJQRKESA-N 436.303 -0.710 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836130149 JAPSCMKERQGSAO-IFXJQAMLSA-N 443.884 -0.280 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458781 BPWNOEXRMHOWHJ-VFNWGFHPSA-N 449.508 -0.431 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840156233 PFXYPVPOTROQOB-LRDDRELGSA-N 433.918 -0.393 50 20 IBGD CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 726598820 YYEUHQKADWNMHY-UHFFFAOYSA-N 439.538 -0.125 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 728825159 JPHLADWUPLHBDV-UHFFFAOYSA-N 427.442 -0.246 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 728825208 NDYXPDZBGYTGLJ-UHFFFAOYSA-N 427.442 -0.246 50 20 IBGD NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)c2)C1 731119174 YNHGWVYJYGMYQV-QGZVFWFLSA-N 430.509 -0.163 50 20 IBGD COc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc(OC)c1OCC(N)=O 732259553 HHPDNEGMBJHSMK-BETUJISGSA-N 438.481 -0.172 50 20 IBGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(C(C)(C)C)n1 756060334 MHQDROJWTROVPR-UHFFFAOYSA-N 431.457 -0.453 50 20 IBGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)c2cccn2C)C1=O 757629375 OMFFYCIQSMKEBA-UHFFFAOYSA-N 427.421 -0.016 50 20 IBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)O1 760203314 KMZPXGXNZAAIRU-ZFWWWQNUSA-N 439.494 -0.552 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 764427349 YXMAHSAVUYFMDI-SNVBAGLBSA-N 428.327 -0.213 50 20 IBGD CSc1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765732918 YHYNJQDQZCMLKN-NSHDSACASA-N 446.489 -0.230 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CCCS2(=O)=O)cc1 767174243 HBRQEEZZDDFNKH-CQSZACIVSA-N 432.524 -0.477 50 20 IBGD Cc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 770771694 MMTUOEKGIMXUKK-SSDOTTSWSA-N 439.263 -0.080 50 20 IBGD Cc1c(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cnc2c1c(=O)n(C)c(=O)n2C 812729146 KNDQECANBHSKPH-UHFFFAOYSA-N 446.489 -0.052 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cn1ccccc1=O 916550009 KUBUDHOXWNLOIN-UHFFFAOYSA-N 448.501 -0.351 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982350 ZGYRUWJKHPUJCC-VDGAXYAQSA-N 438.293 -0.618 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nc3)C[C@@H]21 1788609996 KQWNVZYCCXZUNC-JQFCIGGWSA-N 440.460 -0.307 50 20 IBGD Cc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1789036796 XMKDHLLVFNNHAN-JQFCIGGWSA-N 439.476 -0.309 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2)c1ccc(B(O)O)cc1 1795732404 BNAWXMRNELQHDG-XOIINTDNSA-N 430.657 -0.673 50 20 IBGD CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)N(CC)CC 1795737754 PWDYLOABZGCZEN-PIKOESSRSA-N 431.342 -0.310 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1[nH]nc2ccncc12 1796210705 BQCLSKFUCFVMPI-ZSBFGKGUSA-N 435.249 -0.845 50 20 IBGD COCCOCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814303934 AOPZLWMVSADMTC-CQSZACIVSA-N 433.295 -0.288 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1819404767 YBUHKVWYHSUAOZ-AWEZNQCLSA-N 425.405 -0.198 50 20 IBGD O=C(CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)N1CCCC1 1830726370 QIMZEFJWHUSPAG-KXBFYZLASA-N 431.917 -0.555 50 20 IBGD COC(OC)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833389605 PVNNRXFUUMFZLZ-UHFFFAOYSA-N 448.524 -0.511 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834102964 HBHQCWPAVDDFIL-LSCMLXDISA-N 443.464 -0.386 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939908 NJFSQVCBSHWVSM-VFNWGFHPSA-N 432.282 -0.948 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1835940199 YWVYMAYPSNJUAU-HXUWFJFHSA-N 431.229 -0.783 50 20 IBGD O=C(Cn1ccccc1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199886 YPURPXZVVCGWJL-DOTOQJQBSA-N 446.273 -0.005 50 20 IBGD C[C@@H](CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 754677343 ZQKUFGFZVBBQQM-LBPRGKRZSA-N 432.524 -0.152 50 20 IBGD COc1cccc(-c2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(C)n2)c1 764226423 IJYKXGJIOIHFEC-SNVBAGLBSA-N 438.466 -0.881 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 764231176 NBWRMDSIHPWLSF-NSHDSACASA-N 436.494 -0.214 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 764343690 QLIVSINYJGFFBZ-UHFFFAOYSA-N 445.501 -0.497 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 779622696 PPALXONNKHKONT-CQSZACIVSA-N 445.567 -0.732 50 20 IBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCN1CCNC(=O)C1 781400932 NAHBLHGREQGUBL-LLVKDONJSA-N 428.287 -0.021 50 20 IBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)c1 784004150 JAUBNZJAMJKEGN-UHFFFAOYSA-N 432.389 -0.344 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 794761231 WEYRUUJNXCWAFL-UHFFFAOYSA-N 428.430 -0.061 50 20 IBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369342 SWBLVGGQCVGAIZ-UHFFFAOYSA-N 445.436 -0.437 50 20 IBGD CO[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn(C)c1 798346225 AFFKHGORMIWXJM-MRXNPFEDSA-N 437.478 -0.410 50 20 IBGD COCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 920862433 DDRRCANQMHTIGZ-UHFFFAOYSA-N 441.510 -0.480 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1782173802 PTUQQJLMRXAPOB-VLXJIEOASA-N 439.900 -0.043 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCOC1 1783213914 RMDGEQLVHLAMDE-LRXVAGHRSA-N 430.310 -0.080 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1783967363 GIHBWLJVZMIHJZ-QMVSFRDZSA-N 433.347 -0.410 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c1 1784086841 PINCIZWHXILEIC-KSYCFECVSA-N 445.925 -0.322 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1C 1786980027 ZXHPPHJIGLTKCY-VDGAXYAQSA-N 425.294 -0.080 50 20 IBGD Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cc1O 1788611720 UXZSRZBOTALYJA-PJODQICGSA-N 443.464 -0.969 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788656361 PZWGKIIVIULGPN-QHLBIMPKSA-N 448.358 -0.210 50 20 IBGD CC(C)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)C 1795717672 RGCAQAJDVSOBHY-WTLGNFPFSA-N 446.552 -0.089 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3N1)C2)c1cccc(B(O)O)c1 1795741312 SYRRXBVFWDJUKU-JWWGGVBKSA-N 435.289 -0.394 50 20 IBGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n[nH]1 1798667880 JKGSICAAEFBTKP-CCWDJLKJSA-N 426.282 -0.270 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(N)=O)[nH]n1 1819403951 PDLWRKOZQQGBCE-CQSZACIVSA-N 428.453 -0.020 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cs1 1835935618 VVSKHYFDSBMGNI-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836130148 JAPSCMKERQGSAO-AUUYWEPGSA-N 443.884 -0.280 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836717075 GUWBUUWENZRYRK-GJZGRUSLSA-N 435.905 -0.351 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837851333 GBQZNKWXBUMVFI-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838792253 XDAICZJPNTXMKJ-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1OC 1838839867 GTOMCWBRVXMNEL-DJJJIMSYSA-N 443.884 -0.232 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840150558 NGJKWJGKLHDICK-KXBFYZLASA-N 427.885 -0.291 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840181570 DGLZWUYFTYUUJX-VHSSKADRSA-N 436.889 -0.688 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840183376 ZWFIQWSTVQFNNY-AZUAARDMSA-N 438.481 -0.858 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1cnnn1 1840475848 NCHCBKPVEUGCGE-DOMZBBRYSA-N 431.291 -0.525 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCc1ccc(O)nn1)C2 1844264943 ASACMGAJDQWBEW-UHFFFAOYSA-N 425.449 -0.370 50 20 IBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845555 LTLNVMKUSNPPIE-CQSZACIVSA-N 444.583 -0.099 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)N[C@H]1CCS(=O)(=O)C1 749173113 HWFNTMQAIYVYNN-QWRGUYRKSA-N 436.537 -0.581 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 758036862 WGFYZKJDIZCOAD-BBATYDOGSA-N 437.478 -0.930 50 20 IBGD COc1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)on1 764246898 SBSKPGFWWZRZOR-UHFFFAOYSA-N 437.478 -0.241 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 780973832 HKKCNASIXJIXGR-NSHDSACASA-N 445.498 -0.786 50 20 IBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc2O1 784005126 PYHBKECTNNCFLQ-CYBMUJFWSA-N 446.441 -0.408 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786356118 AKSUNWACYDIMJN-DTDBQYNISA-N 440.412 -0.585 50 20 IBGD COc1cc(OC2CC2)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 790785133 UZTJYFARLIGBNL-UHFFFAOYSA-N 442.432 -0.555 50 20 IBGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915906590 XKKJMYOGMYIBSU-UHFFFAOYSA-N 439.494 -0.822 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 920212645 SJIXNKQINRLDLO-CQSZACIVSA-N 446.551 -0.202 50 20 IBGD COCCNC(=O)C1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1318267427 AOQRARVHEOMTFR-UHFFFAOYSA-N 433.513 -0.092 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1321601564 OCDWFGKBYZJCLX-QMMMGPOBSA-N 437.446 -0.399 50 20 IBGD Cc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032764 UQJWHRLMOAQVII-FQEVSTJZSA-N 425.449 -0.459 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262394 OMHATFMVCYUXPK-PBHICJAKSA-N 436.347 -0.724 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090785 AYYFYIMBDVISND-RDUHTLEXSA-N 439.900 -0.826 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1784804607 GPJSCJDBPAWTDF-CENBSLRLSA-N 446.273 -0.028 50 20 IBGD O=C(CCc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791660266 YCYOJINYRADPRX-VDGAXYAQSA-N 438.293 -0.618 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739957 VUEMBZQMIKRRTK-ZFHGCVPZSA-N 429.109 -0.194 50 20 IBGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccn1 1801011459 NWQKEWGKZUIQAO-CWPLJXCYSA-N 446.508 -0.384 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(F)F)n1)C2 1801011802 GEZDSNUEXJAXMK-DRXBFXEBSA-N 428.440 -0.146 50 20 IBGD CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812620665 KQAFFDFMWUHGGY-KXBFYZLASA-N 439.476 -0.464 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1819403609 WNQMJNIBZUJHPP-CQSZACIVSA-N 439.436 -0.410 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1830725130 FVWWFUYLXBNUKP-LIVBEALHSA-N 440.880 -0.118 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1834374668 VMPSLEPPIQWLOT-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cc3cc[nH]n3)CC2)CC1)c1ccc(B(O)O)cc1 1834799355 ZKMRUXIGROKAIK-UHFFFAOYSA-N 439.325 -0.483 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835411350 AIAAGWADRZXLGS-IBGZPJMESA-N 427.574 -0.083 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1835761398 OZSSREYPIWSJDR-RDTXWAMCSA-N 431.562 -0.643 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1840183697 UURDZBLFABZFSG-SFHVURJKSA-N 443.888 -0.229 50 20 IBGD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931047 LVTSODBZILATEY-QMMMGPOBSA-N 444.263 -0.373 50 20 IBGD CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 15756918 GHIDIWIEUZGUGD-UHFFFAOYSA-N 440.503 -0.080 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n(C)c2)C1 730165903 MOSBJXOSOHBHJK-QWHCGFSZSA-N 446.551 -0.359 50 20 IBGD C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755515517 CHCQTXWBHXAFPS-DHZHZOJOSA-N 441.404 -0.407 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 758046736 JQDPANCIWGDQOU-JTQLQIEISA-N 438.553 -0.379 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 758047312 LGASKYWMEQWRJX-WDEREUQCSA-N 438.553 -0.705 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)N2CCOCC2)cc1C 760213326 NMSTYNSQVBBOQN-HNNXBMFYSA-N 441.510 -0.711 50 20 IBGD COCCn1ccc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc21 764226114 FXQJWYMJWGEAOY-NSHDSACASA-N 425.467 -0.689 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)COc1ccccc1O 765442473 BDCWRLBKPUTOMQ-UHFFFAOYSA-N 428.449 -0.163 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2nc3ccccc3s2)n(C)c1=O 765728426 QREAYLUXGRPKFW-FPLPWBNLSA-N 439.457 -0.096 50 20 IBGD Cc1cc(Br)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730799 OECAOKXFQBNEMA-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD CCNC(=O)CCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635912 ITKNIVXRQDPWSY-UHFFFAOYSA-N 439.538 -0.635 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 771846792 MEVVGZIMVLDXQB-ISTVAULSSA-N 435.886 -0.143 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 771883331 SZNGSBSPIFFMEH-LLVKDONJSA-N 431.442 -0.051 50 20 IBGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)c2)CC1 784001899 GBKKAJZBSIDUTF-UHFFFAOYSA-N 442.476 -0.457 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(Cl)c1F 792269443 UPUMZXOUIMRLTG-LURJTMIESA-N 438.821 -0.711 50 20 IBGD NC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369072 NHMZYXSNMLIQKZ-UHFFFAOYSA-N 431.380 -0.063 50 20 IBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 819659545 WLEOROKGFIOPEB-CYBMUJFWSA-N 436.531 -0.263 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 913374366 XXFSMUCLONPWSZ-UHFFFAOYSA-N 425.401 -0.441 50 20 IBGD Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)CCBr)CCO3)C2)c(=O)nc1O 1785353012 KISHGLQWEMYETD-QGZVFWFLSA-N 443.298 -0.128 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785438098 ULUZWNAXKJKBER-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790602784 WQSYRHKOEIMYCD-LGYWMIHWSA-N 445.369 -0.062 50 20 IBGD CC(C)c1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)co1 1795737286 OULLLOYBUQTZCI-JLVBRIDZSA-N 427.266 -0.005 50 20 IBGD O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795837001 QVADIXUBKAAACK-JLVBRIDZSA-N 442.306 -0.848 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1SC(=N)NC1=O 1796191091 YLSPOXKCMCCYKA-LMXXTMHSSA-N 444.322 -0.579 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1797793127 LDCRLEVFQFDBEJ-NBUQLFNLSA-N 449.298 -0.146 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797953620 AEVRUOPNMZBEDN-HGTKMLMNSA-N 435.619 -0.245 50 20 IBGD CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094662 CNSKAIBMMDQTLE-RMFSNUHRSA-N 446.552 -0.516 50 20 IBGD CC(=O)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348614 SDHWHSMEFIUXHE-CQSZACIVSA-N 430.295 -0.425 50 20 IBGD Cc1nn[nH]c1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815936392 UYAQJYFUGZDEKB-GFCCVEGCSA-N 426.267 -0.211 50 20 IBGD O=C(O)CSCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826110752 SIVVNSATWYQGNU-GFCCVEGCSA-N 449.319 -0.134 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1834346007 ASUQUOYPPLFPET-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD COCCOCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834566355 RAVNPCLCNRLJKQ-UHFFFAOYSA-N 447.341 -0.785 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1835929413 OSFWAQZSQZJHGZ-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840030532 ONLIFKGBVUITMB-YVEFUNNKSA-N 445.314 -0.166 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840035429 RGSIPSHOQQLFST-GUYCJALGSA-N 443.298 -0.517 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840182752 SJVBZWXENXPKDI-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1840183559 LYIWHAPTWSTBSY-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840184667 AKLZURBIVDLBQK-FIKGOQFSSA-N 440.541 -0.633 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)CN1C1CCCC1 1848039819 FQKPNVOLYUPIEH-VDGAXYAQSA-N 439.321 -0.027 50 20 IBGD O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NNC(=O)[C@H]1COc2ccccc2O1 741344565 XXULEODROJBTHS-MEUCICPISA-N 444.400 -0.567 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(C#N)cc2)s1 746184673 GGYXPUDYADVAJB-UHFFFAOYSA-N 435.487 -0.005 50 20 IBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)O1 760204860 UPSJESYZWIAWQU-HIFRSBDPSA-N 439.494 -0.552 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760361829 AYRMFGQBDLIKFN-ZCFIWIBFSA-N 445.273 -0.396 50 20 IBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)c1C 763840123 ISTHCUIYTKHELQ-CYBMUJFWSA-N 431.453 -0.463 50 20 IBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764033846 AVIHOWXEBHMMGA-UHFFFAOYSA-N 432.458 -0.092 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764435415 UXEFQAORZWTPOV-FZMZJTMJSA-N 428.467 -0.735 50 20 IBGD Cc1nnc(-c2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)o1 766645365 SYSWECWLIXONTQ-UHFFFAOYSA-N 438.404 -0.747 50 20 IBGD C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1=O 789045890 OSDPOAJUUAFYMS-HXUWFJFHSA-N 434.416 -0.110 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@H](C)O1 809981441 KYFYQWNUXRCYTR-STQMWFEESA-N 438.510 -0.512 50 20 IBGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc(C3CC3)nc21 914405927 BDTMJLPBVYVCFN-UHFFFAOYSA-N 447.415 -0.038 50 20 IBGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)N[C@@H]1CCS(=O)(=O)C1 1115892736 KHBVUQZUGNWVEX-CYBMUJFWSA-N 434.478 -0.649 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)CC1 1778359386 USMIWEILSBYWDD-KSSFIOAISA-N 445.358 -0.236 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779877202 SKJXBBHLDAVHGX-IAQYHMDHSA-N 430.234 -0.291 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1782180087 RDRUYMMWXAZMDX-PJIJBLCYSA-N 427.885 -0.321 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790606474 IOXAJYKUWAIZAI-IKICRFKJSA-N 448.281 -0.479 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288864 YPAGTJFFVKWEGL-XSLAGTTESA-N 434.541 -0.128 50 20 IBGD Cc1cnn([C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1791593291 RWQCCTFBPMDTSI-UHMOLFJZSA-N 440.309 -0.274 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nc2ccccc2[nH]1 1796820827 LSLKUERTFBQASL-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799344224 COGPYOPPIZHQGC-SVNGYHJRSA-N 444.323 -0.406 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802684099 WKDMIDZMQXBKDG-OXJNMPFZSA-N 447.540 -0.268 50 20 IBGD O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807635155 WGXZBSBTFPUBFR-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347931 YBTBBKVHGZALIL-GJZGRUSLSA-N 444.322 -0.037 50 20 IBGD O=C(CN1CCOC1=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350372 SYNHMVSGIASNDN-ZDUSSCGKSA-N 444.278 -0.499 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817615246 RBSACQZWNIFDQI-AWEZNQCLSA-N 439.440 -0.599 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1830537053 AWSKYBJGLRUQRR-GUYCJALGSA-N 446.346 -0.686 50 20 IBGD Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935014 BVTGELOYABHDLK-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(Cc1ccccn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836187373 RDKWHBPSPBOOEL-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD O=C(c1cc(-n2ccnc2)ccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838792256 XDAICZJPNTXMKJ-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)CC2)CC1 1839106774 BDUHAHNEBKKEGC-CRAIPNDOSA-N 432.924 -0.243 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049485 YDJWERYZVGIZGJ-IWQHBPENSA-N 444.293 -0.996 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 728372526 RYXMYRLGBKIYET-APIJFGDWSA-N 425.507 -0.066 50 20 IBGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCCO2 732474608 RFYJBODPXGWNCJ-CQSZACIVSA-N 442.494 -0.110 50 20 IBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116818 HDYQYTQUVNXPKU-ZDUSSCGKSA-N 436.494 -0.128 50 20 IBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C(=O)N1c1cnn(C)c1 743510043 PAEIUIDNPFYPID-WCQYABFASA-N 448.509 -0.149 50 20 IBGD O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 750828245 QSPQEICBADCGPR-OAHLLOKOSA-N 433.490 -0.072 50 20 IBGD CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751278794 AFTKWIBKQHTMOM-UHFFFAOYSA-N 446.532 -0.262 50 20 IBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1Br 756190842 UUWQTSQSORYALS-UHFFFAOYSA-N 441.238 -0.056 50 20 IBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763809517 VYVVVIOPUGROHF-UHFFFAOYSA-N 445.457 -0.060 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccn(C)n3)CC2)cc1 782735189 COQNWNYJHUSEPE-UHFFFAOYSA-N 434.522 -0.575 50 20 IBGD C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 790679225 WZELBJLTCITWRD-FOIQADDNSA-N 431.401 -0.870 50 20 IBGD CN(C)N(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 792856373 XUQFBNSTBYRLIE-ZIAGYGMSSA-N 432.543 -0.006 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)nc2n(C)c1=O 802068128 BDFRTESFKLNTMP-UHFFFAOYSA-N 446.445 -0.498 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 807381309 NNHHQCYIKZVRLF-UXHZXRBQSA-N 428.493 -0.222 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778602430 VHBAMUXEXMFARH-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778777544 RJFZEIJVWGYKKZ-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C\C(=O)NC2CC2)C1 1779231482 WXPWJAQAFADTPM-GUEKAFECSA-N 449.552 -0.292 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1785035662 UIDMDARYSXMWTH-PWNZVWSESA-N 425.910 -0.769 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cc(O)n1 1787456656 ZQFZKXVSHPQYAE-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1787508954 NSHJKBKFJORQJG-RQLFHFPYSA-N 443.464 -0.157 50 20 IBGD Cc1noc(N)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795571113 JOCXUJLWDXWEDK-QHBPRCKVSA-N 429.437 -0.919 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CNc2ccccc21 1795617503 NFVYMACKRRJAKJ-NNNWTRQLSA-N 435.289 -0.221 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807196264 TVMJYNXCFQMEMB-GUXCAODWSA-N 447.540 -0.947 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361991 YKYSSVDAIWKBPE-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811449686 AZITYDBCUHYUPN-JXFKEZNVSA-N 447.260 -0.522 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cncn1 1813399737 FROCMSQBYUFPDF-MOXGXCLJSA-N 448.292 -0.066 50 20 IBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722411 BAMAKPCGVCBIKL-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834821679 TWGNAKAKPLVQKW-WBMJQRKESA-N 435.319 -0.325 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1837460703 JNUUYNYNRAQDDE-HXUWFJFHSA-N 431.449 -0.941 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837604776 OUEXTCCPIBXUGR-OXJNMPFZSA-N 428.530 -0.371 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1837919420 POOHGCHRUSAASP-FQEVSTJZSA-N 427.310 -0.493 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188289 AUUBLKRYXSYZJO-MEDUHNTESA-N 425.313 -0.046 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)o1 1840506824 USEMKLFNCNMZMI-JOCHJYFZSA-N 442.277 -0.419 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846399581 KFXCBGKGQWCTHY-UHFFFAOYSA-N 428.371 -0.819 50 20 IBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2=O)n1 743588654 DNDXEZBULLSTNA-HNNXBMFYSA-N 441.496 -0.048 50 20 IBGD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)C(=O)N1CCCC1 748239135 DNNOBPQBGFSIRN-SNVBAGLBSA-N 427.439 -0.191 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)CO 753439255 WWFNYMFDTGBYAJ-LLVKDONJSA-N 440.341 -0.011 50 20 IBGD CCN1CCN(C(=O)c2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 756252267 CENTZDNETYAFFY-ZDUSSCGKSA-N 440.526 -0.445 50 20 IBGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)C(=O)N1 764169039 SHCAYEQDUPXBOT-RHSMWYFYSA-N 436.424 -0.019 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 764232125 RJWLYLDERCWANJ-ZETCQYMHSA-N 444.363 -0.210 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CO 764428081 BSWUFYOPHZLGKW-UHFFFAOYSA-N 428.467 -0.662 50 20 IBGD CO[C@H](C)c1nc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 766639402 PLZTYTVQMYJTQX-SECBINFHSA-N 435.466 -0.633 50 20 IBGD COc1coc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1=O 798823998 WAZUHACDQIZRDZ-UHFFFAOYSA-N 437.430 -0.256 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806978891 IRLDEHUTKOOIII-LLVKDONJSA-N 425.417 -0.117 50 20 IBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 818514442 PKAZGIMXSLUPDV-QGHHPUGFSA-N 426.426 -0.825 50 20 IBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NNC(=O)CN2CCCC2=O)cc1 920433557 VMQUKISHWQAZRY-JCVNQNCUSA-N 427.461 -0.441 50 20 IBGD CSCC[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782232050 VUMVPVNHTSYHIO-RZQQEMMASA-N 444.598 -0.013 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785635011 WTJPGHSBLFBBSI-DZKIICNBSA-N 435.481 -0.948 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982892 CEQPDZIEDXFFBQ-LGYWMIHWSA-N 445.369 -0.062 50 20 IBGD CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(=O)O 1796090779 WCZMQRGYSZBZKO-BLRDNKIZSA-N 432.481 -0.179 50 20 IBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)no1 1796188810 RXCRGZATHIOHIL-BJWYYQGGSA-N 440.265 -0.655 50 20 IBGD CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)[nH]n1 1798132795 VSSHQKTWKWJPHN-CCWDJLKJSA-N 440.309 -0.096 50 20 IBGD N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1799641755 JWMXOAXCNUIIKC-CEQLMSFQSA-N 433.273 -0.051 50 20 IBGD Cc1nccn1CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801308911 JGOKANVYIDEXTJ-RMFSNUHRSA-N 440.309 -0.445 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807369779 VBOPJZHTNPPWTL-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD O=C1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CN1 1815347635 HVQJRKCGQMHPSL-JSGCOSHPSA-N 442.306 -0.425 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817469787 DZJNBWFNOOLBKU-MLGOLLRUSA-N 427.270 -0.093 50 20 IBGD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830727808 GACBKFGXKSBYRE-HNAYVOBHSA-N 441.868 -0.462 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1830732860 BXGQDIVTHPDHBT-BXUZGUMPSA-N 425.707 -0.030 50 20 IBGD CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834983396 FFAHMVRSVGGFRN-INKLHFNDSA-N 435.481 -0.387 50 20 IBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835490351 FZLWFGZRAQLMJB-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1835939922 OLJZXNWKTXBQLK-IWQHBPENSA-N 444.293 -0.996 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839655659 LIBBKMLMWNGUOM-HNNXBMFYSA-N 427.354 -0.270 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840030594 PQOHZBXIOIQDTN-LRDDRELGSA-N 434.287 -0.322 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)c1ccccc1 1841522117 RSYDYQVAMKKSBA-UHFFFAOYSA-N 435.289 -0.044 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1841858297 XMTRBTCQQWPKRR-QGZVFWFLSA-N 439.321 -0.026 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 14329298 BZOVVNYFTABZTP-UHFFFAOYSA-N 446.551 -0.565 50 20 IBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)C1=CN2CCS(=O)(=O)N=C2C=C1 728846308 XREFBSNOKXUDIM-UHFFFAOYSA-N 431.478 -0.662 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 729275034 JSWNQYQBSRFWDB-QWHCGFSZSA-N 432.524 -0.828 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(CNC(N)=O)cc2)CC1 735117108 OAMFNMGHPVEEHA-UHFFFAOYSA-N 447.521 -0.057 50 20 IBGD COCCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748462715 XBSGVCDHRYCIQU-UHFFFAOYSA-N 427.483 -0.936 50 20 IBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 759382245 XPVMDIQQPYTCGR-UHFFFAOYSA-N 429.462 -0.036 50 20 IBGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764230368 HJVJWWVDWKATTK-QWRGUYRKSA-N 428.467 -0.938 50 20 IBGD CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cccc21 764279067 XBHGFVDJNYGNQM-UHFFFAOYSA-N 448.457 -0.121 50 20 IBGD Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 769268130 VNZCHKLFRALWNR-NSHDSACASA-N 440.457 -0.597 50 20 IBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)C(=O)Nc1ccccn1 792218935 BNTKTDNGLDDMDV-MRXNPFEDSA-N 427.339 -0.201 50 20 IBGD CN(C)N(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCS(=O)(=O)C1 792855869 UYLYSRRJJWOUDC-GXTWGEPZSA-N 444.535 -0.821 50 20 IBGD C[C@H]1CN(c2ccccc2C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CCO1 915957346 IXNHJASGWFWIPJ-ZDUSSCGKSA-N 432.506 -0.054 50 20 IBGD COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919960754 GTTAWOYXUGJMMC-SECBINFHSA-N 425.872 -0.194 50 20 IBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320455571 WOGDCLJEPANUDF-TZMCWYRMSA-N 429.499 -0.256 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931470 KAVBHUTWTXIAAA-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374638 UPTVJHGZJXXRPZ-DYESRHJHSA-N 446.508 -0.661 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783936665 YRCRGFDYXHYYMV-JJTSJLALSA-N 439.513 -0.282 50 20 IBGD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1785395491 HAHFHJCAXSBIFC-JBACZVJFSA-N 437.305 -0.094 50 20 IBGD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1785989013 ZRECYHUKPWMPAP-OWQGQXMQSA-N 439.476 -0.309 50 20 IBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)C(=O)C(=O)O 1786407280 MVAWIFHRWNITOP-SRVKXCTJSA-N 434.287 -0.706 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786986690 YVNSQMSXDYSIDY-VDGAXYAQSA-N 438.293 -0.618 50 20 IBGD Cc1cc(/C=C/C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)no1 1788673209 WEHNBTHIRJASPK-JIGQMWBCSA-N 439.277 -0.030 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1791057390 UMECZZSSPLBVIV-IIRVCBMXSA-N 431.287 -0.652 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1792867777 KUVWNWBOJXZZCF-KQXIARHKSA-N 442.247 -0.668 50 20 IBGD Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)nc2s1 1793660516 POBYKDDFIAJYOD-WJNVRWDZSA-N 427.914 -0.169 50 20 IBGD COc1nc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740191 BVHSBDCZZDWZAS-HGKCTWBKSA-N 439.277 -0.405 50 20 IBGD COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796687724 WJKZDRIRZZXSDU-DPIQGUFMSA-N 444.448 -0.664 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799684761 PMUULXRBGPCXGE-OKWIKPQFSA-N 435.905 -0.327 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1800979033 OOMDDALQIMCDJF-NEBZKDRISA-N 437.884 -0.212 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H]1CCOC1 1801581584 WNSHNQOBXKKDND-ZTENYAIWSA-N 431.493 -0.295 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817470137 JOXFZLUAOSPTRS-RHSMWYFYSA-N 439.281 -0.078 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830338092 FQEHFPPTCSPBJW-QFBILLFUSA-N 428.869 -0.173 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1831641162 WJHPSXMOXJKCOF-VEVIJQCQSA-N 430.889 -0.552 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc[nH]n3)CC2)CC1 1833561592 OLRFMDAPFSWCLJ-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1835927116 GMYQCRCBFQEVOI-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456574 OPFCSNNYYPYSMY-FQEVSTJZSA-N 435.481 -0.818 50 20 IBGD Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C1)CCC2 1839581075 CPXQSSQYYHZJOM-BEFAXECRSA-N 426.901 -0.422 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185271 IJFJRKNDXNEJKT-IERDGZPVSA-N 440.541 -0.611 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840535086 CPCVPCDUVVNLEN-JTKSSWDBSA-N 447.492 -0.387 50 20 IBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)N1CCN(C)CC1 1845098860 MHOOMESNTRSDHY-OAHLLOKOSA-N 429.525 -0.862 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN(C)C)CC2)o1 727761620 UEZNFJNPSPWOSI-UHFFFAOYSA-N 430.483 -0.434 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 732260467 DSPCWVJIIPEJHS-GJZGRUSLSA-N 442.538 -0.128 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 737065580 TXZKEDLSKLRBAQ-UHFFFAOYSA-N 432.481 -0.347 50 20 IBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C(=O)N1c1cnn(C)c1 743510039 PAEIUIDNPFYPID-AAEUAGOBSA-N 448.509 -0.149 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCC1 746102374 BBCCCIUDFAILGV-LBPRGKRZSA-N 448.523 -0.535 50 20 IBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)O1 760204862 UPSJESYZWIAWQU-UKRRQHHQSA-N 439.494 -0.552 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 763028902 DQTKHARZUZTYIL-BDJLRTHQSA-N 432.458 -0.397 50 20 IBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 764083415 RARQTYGOVOOQQS-GFCCVEGCSA-N 442.494 -0.152 50 20 IBGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COCCO2)c2ccccc2O1 764435387 UVGSPFWFVJXNLQ-IAGOWNOFSA-N 448.476 -0.352 50 20 IBGD CCn1cc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc21 766643900 LXAQFWJNNPWODQ-UHFFFAOYSA-N 437.460 -0.202 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)[C@@H](C)O)cc1 779507942 APDWPBKJHDKTQU-MLGOLLRUSA-N 438.462 -0.807 50 20 IBGD C[C@@H]1CC(=O)C[C@@H](C(=O)NNC(=O)c2ccccn2)[C@H]1C(=O)NNC(=O)c1ccccn1 791121715 NKMFBEJNVJQIFK-MRRJBJDNSA-N 438.444 -0.070 50 20 IBGD COCCNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 913445766 GXGRCXFFIUSHBE-UHFFFAOYSA-N 430.552 -0.218 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccc(F)cc3)cc2)CCN1 914463218 UDWLVMSKLQUJIQ-UHFFFAOYSA-N 434.449 -0.050 50 20 IBGD Cc1nc(Cn2nnc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c2C)no1 1320919446 NMHGMZOCQBVIAG-UHFFFAOYSA-N 448.303 -0.234 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncon2)C1 1779931962 NDXLVWAOFAIZDH-AUUYWEPGSA-N 429.437 -0.491 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780790159 HALZZDAJFZLNCR-NJNPRVFISA-N 443.309 -0.885 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781314221 BOESWOPFHXNFEU-IFXJQAMLSA-N 449.932 -0.043 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607882 RXDSASLPBCXSTQ-STECZYCISA-N 433.509 -0.315 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293899 MKWDULOPNPQAQN-SZMVWBNQSA-N 434.541 -0.078 50 20 IBGD N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801992454 LFWHZLZYKYZBRQ-OPMZPASUSA-N 449.272 -0.480 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)N1 1807371061 OYUCZQRKGQHQDI-XKGZKEIXSA-N 436.277 -0.640 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829927675 HZGRNZYUXYJVQX-OXQOHEQNSA-N 426.514 -0.615 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731446 LMCKAFCSIRJOQT-ZCVAIWLRSA-N 433.889 -0.429 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831323338 JFGWHHBLZDMUQI-LALPHHSUSA-N 429.898 -0.695 50 20 IBGD Cc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929410 OMPYDYPTJWFTNM-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142125 OSWNZQGRQZDWDH-IUODEOHRSA-N 431.291 -0.840 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235426 UTLZJQYWIVRZKB-CJNGLKHVSA-N 430.303 -0.235 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(=O)N3CCCC3)n(C)c2)C1 730216392 PRGRNAYRGFVNFF-ZDUSSCGKSA-N 425.511 -0.171 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C[C@@H](C)O1 732262171 RJTOMWRYDCBXBA-OKILXGFUSA-N 429.477 -0.095 50 20 IBGD CCOCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755536242 ULHKOWFZWKMQFQ-GFCCVEGCSA-N 434.496 -0.659 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)CCN1 763570839 ISTXYHVCRNSRLA-KRWDZBQOSA-N 439.428 -0.451 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1C 763665277 RPFNGSWBZWESGF-UHFFFAOYSA-N 440.460 -0.200 50 20 IBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)CNC(=O)c1cccnc1 763818917 PZALTPIXWJNROU-UHFFFAOYSA-N 439.881 -0.019 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F 764227963 SSJJNZSHDGKUCP-JTQLQIEISA-N 426.430 -0.906 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(-n3cccc3)cc2)n(C)c1=O 765731531 RWUVYXNIVMFWCJ-UHFFFAOYSA-N 435.444 -0.386 50 20 IBGD CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@@H]1OC 776522827 HBIGYZWVPDOBOM-UXLLHSPISA-N 442.542 -0.164 50 20 IBGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 786719184 QQUWIZLKDCEXEA-LLVKDONJSA-N 425.460 -0.470 50 20 IBGD O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1csc(N2CCOCC2)n1 1318529341 YPYSKOGUVYHSJW-UHFFFAOYSA-N 437.503 -0.111 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1779030627 DWAJZGKPIPVYJW-OAQYLSRUSA-N 442.451 -0.095 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033635 AQPDKUWZHNLBER-LHSJRXKWSA-N 441.492 -0.105 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033667 BGSUWHHHEQZOBC-QVKFZJNVSA-N 441.492 -0.339 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784034645 KOBFEARLZKZIPI-TUQFXCNJSA-N 444.492 -0.524 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccnn3c1)C2)c1cccc(B(O)O)c1 1795740480 ACNNPWLSAQSFHR-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1)C2 1797752778 GWRDSISOGPGHCR-ZSBFGKGUSA-N 425.445 -0.092 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3nccc13)C2 1797753762 FKGDFHDZMUOHCX-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799684614 JDARCPKEMHUPQH-KJQKOTGBSA-N 425.869 -0.054 50 20 IBGD CC(C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800292 CLHUTDXRTBHPDL-FQEVSTJZSA-N 431.342 -0.432 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1835931409 RBPVUXFJJOXOLM-JTSKRJEESA-N 428.294 -0.207 50 20 IBGD CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CC1 1836717583 YOMVDNIDIZOQSI-SFHVURJKSA-N 430.977 -0.168 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840154017 IASRJPJYLFTQAT-ACJLOTCBSA-N 430.889 -0.248 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1844263450 GRZRQZCIECOUDO-UHFFFAOYSA-N 437.460 -0.673 50 20 IBGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844264267 ZVUNNHNUBCBLGL-UHFFFAOYSA-N 438.444 -0.003 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)CN(C)C)CC2=O)cc1 727761571 PNLHBYROXUYXGV-AWEZNQCLSA-N 439.538 -0.221 50 20 IBGD O=C(CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NNC(=O)c1ccccc1Cl 735493460 PXEREXXREJRAHW-HUUCEWRRSA-N 430.914 -0.812 50 20 IBGD COc1cc(C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)cc(OC)c1OC 741646864 HLNZCYPOUHHKDR-UHFFFAOYSA-N 445.475 -0.017 50 20 IBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 745489335 NTYZHLRXPWRNOH-UHFFFAOYSA-N 426.499 -0.410 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)c1 748601357 BDAAUJWXFDFSJC-UHFFFAOYSA-N 444.539 -0.082 50 20 IBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)nc21 770966486 LWXMLSBHDVMYOI-CYBMUJFWSA-N 446.512 -0.089 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)NCCN2CCNC(=O)C2)c2ccccc2c1=O 781402208 WDGLCKGBZYWUQJ-UHFFFAOYSA-N 443.508 -0.038 50 20 IBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1nc[nH]n1)N(S(C)(=O)=O)CC2 781417473 ZDGZWKKALMBQJG-GFCCVEGCSA-N 438.466 -0.468 50 20 IBGD COc1ccc2c(c1OC)OCC2=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877287 LWBBBNUSXQWQPH-UHFFFAOYSA-N 428.405 -0.636 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cnc2C)c2ccccc2c1=O 816806125 SGJUXOXMXJQXSL-UHFFFAOYSA-N 430.446 -0.158 50 20 IBGD Cc1ccc(S(=O)(=O)NCCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 919886125 UZIHVQIEPYFQHW-CQSZACIVSA-N 446.551 -0.121 50 20 IBGD COCCCNC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 920862922 FFZXSWPLOQNRAV-UHFFFAOYSA-N 430.483 -0.303 50 20 IBGD CCn1nc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccccc2c1=O 921235924 STDBSKBVMIPJHZ-UHFFFAOYSA-N 442.457 -0.325 50 20 IBGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1779032785 VLEXLXVABPXMNH-FQEVSTJZSA-N 441.448 -0.759 50 20 IBGD CCOC(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)OCC 1784164656 IOMONZUSKGFMHR-NRFANRHFSA-N 434.298 -0.401 50 20 IBGD CCOc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288771 UBRPBYVKBXWTIS-ZOBUZTSGSA-N 448.524 -0.158 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21)C(Cl)Cl 1791295766 ZMZWCZKGVHJEMM-NRPADANISA-N 430.252 -0.790 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012435 YOLGDGRQEOTCBP-VPTLXERWSA-N 434.541 -0.458 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803142735 HJLFASALVWLLQA-OVWQWFNUSA-N 426.901 -0.662 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806077992 HFAFSTAFRGUIQM-RRQGHBQHSA-N 446.895 -0.059 50 20 IBGD O=C(COCCO)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808599929 HKBGLUBKKGGEMJ-FXAWDEMLSA-N 427.266 -0.910 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474843 HMJBPJQHWIKPRJ-SJKOYZFVSA-N 427.270 -0.080 50 20 IBGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1 1830726063 SZNZZJSFZQMZFH-KDOFPFPSSA-N 431.848 -0.101 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1833805094 GNFFJSQBYHIXLZ-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD O=C(c1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833834341 UHHYIKUDRNJBHR-DOMZBBRYSA-N 433.234 -0.057 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837461270 RYLFTXPFFSXJCI-KRWDZBQOSA-N 446.291 -0.441 50 20 IBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1838125623 ZPUBOAWSHGZCSR-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197309 PWLBDRKMIGNCSL-WFASDCNBSA-N 439.282 -0.596 50 20 IBGD CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)C(=O)C(=O)O 1839700821 COUDBCCQNDKFEP-SFHVURJKSA-N 433.889 -0.749 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840153214 HOOLXQVAVUDPGF-SJCJKPOMSA-N 430.893 -0.970 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840153669 XIWYCFUOSLLOLT-MPGHIAIKSA-N 429.905 -0.376 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840484771 IXAIRACVCGFFGK-OAQYLSRUSA-N 449.508 -0.963 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)COc2cc(Br)ccc21 729274704 AVZUQFQASIHZFJ-MRVPVSSYSA-N 449.283 -0.740 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C 742034247 KWWSLWFUHCLICN-GFCCVEGCSA-N 447.521 -0.019 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 749353973 RQKRTPMFWPTZHR-ZDUSSCGKSA-N 431.490 -0.499 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CSc2ccccc2O)n(C)c1=O 764046119 ZLPTVCQDIVPPHP-UHFFFAOYSA-N 432.462 -0.531 50 20 IBGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764226058 DXSYDKFBORQVMI-ZETCQYMHSA-N 437.272 -0.519 50 20 IBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765760060 YYBZHJRSUQCLGZ-HNNXBMFYSA-N 436.900 -0.407 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCc3c(Cl)cccc32)n(C)c1=O 775780490 NEAGAWMNFVCFHL-GFCCVEGCSA-N 430.852 -0.036 50 20 IBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1(S(C)(=O)=O)CC1 807481482 FWLPNPFGKHRSBU-NSHDSACASA-N 432.524 -0.153 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@@H]1CCS(=O)(=O)C1 915880454 MQMDENNGCCCCBS-CQSZACIVSA-N 444.535 -0.008 50 20 IBGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919886336 VSEHNCJNBPXSOV-FTLABTOESA-N 443.526 -0.359 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780032078 VMYIIZUIOMWYSZ-OAQYLSRUSA-N 439.233 -0.753 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783530280 WJCATTRDEPPZHJ-PXAZEXFGSA-N 428.283 -0.085 50 20 IBGD CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1786347607 OTHLCPHVPLZRQJ-FHWLQOOXSA-N 445.520 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786873817 ADPNKCPBUKKRNM-PYWIUJKZSA-N 432.525 -0.566 50 20 IBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)N1 1789922102 GXPGUAAFHCAGSL-NDCWEZFPSA-N 435.250 -0.745 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2)[C@@H](O)CCl 1792974862 DVAOWMRONNCRKM-VHKOSHJNSA-N 440.884 -0.818 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1795611320 NZWFZEYGGJREQD-MFCZKXCZSA-N 432.525 -0.155 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1snnc1C1CC1 1796705239 FXNIEDJYLXVUCF-MIFYACCESA-N 442.306 -0.388 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800975195 LEJGSLRMPSYBJP-SVQFQIBWSA-N 439.900 -0.036 50 20 IBGD O=C(Cn1ccnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805879445 YZRPVKKHDCWQMD-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072732 DTLUKKSMNFHXQI-KXBFYZLASA-N 434.497 -0.184 50 20 IBGD CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1833358853 YPKLCNDKSGGOMA-APWZRJJASA-N 426.901 -0.183 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cocn3)CCO2)C1 1834507005 BKKMWLWDDWALMI-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD O=C(Cn1ccncc1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202688 MSIRUUZPCCYYCT-ZBFHGGJFSA-N 447.261 -0.610 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840152178 AKKBUNIEGUSHIP-ZBEGNZNMSA-N 431.833 -0.358 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(Cl)Cl)n(C)c1=O 1848151179 YDLZAAIYKVDZEQ-UWVGGRQHSA-N 443.291 -0.561 50 20 IBGD O=C(Cn1ccc(=O)[nH]c1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 29490213 QNGWARWWNMQJID-UHFFFAOYSA-N 435.462 -0.828 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 729619803 UOWSEUFLHJLOFN-HOTGVXAUSA-N 439.538 -0.191 50 20 IBGD O=C(O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 731104322 GVUUZCISNRDBQZ-QMMMGPOBSA-N 441.281 -0.109 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 744602556 UOIJURLENGGKGC-UHFFFAOYSA-N 442.432 -0.863 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)o1 746393145 ZCOSMJXIABHJHV-UHFFFAOYSA-N 445.480 -0.280 50 20 IBGD Cc1c(C(=O)NNC(=O)C(=O)N2CCCC2)cc(Br)cc1S(N)(=O)=O 747376908 HBOOHENFGPXXEX-UHFFFAOYSA-N 433.284 -0.212 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2OC(F)F)n(C)c1=O 755409221 LKVFFVJYSNWULO-UHFFFAOYSA-N 437.363 -0.112 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 763445531 JKLYSJPLMTZDHX-HNNXBMFYSA-N 427.373 -0.104 50 20 IBGD COc1ccccc1[C@H](C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765726104 YBCHWJGXXQXFFI-GFCCVEGCSA-N 428.449 -0.217 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 767823171 REDLBURAJPEHTB-QLFBSQMISA-N 437.522 -0.128 50 20 IBGD COc1ccc(Cn2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn2)cc1OC 779377978 UMPORJHTKIQVCW-NSHDSACASA-N 425.467 -0.353 50 20 IBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 788892885 SLJHRZHMPOVPAH-CYBMUJFWSA-N 427.531 -0.489 50 20 IBGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793451559 UTGRIYGYIYJFJY-LLVKDONJSA-N 437.434 -0.577 50 20 IBGD Cn1c(CC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc2ccccc21 1337326652 ADDGRQSULQRRQO-QWHCGFSZSA-N 433.490 -0.701 50 20 IBGD O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779103740 ADZVJXAQZYYFGM-QNZROTIXSA-N 445.281 -0.661 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](Cl)COC)C2 1779202279 ZFDMAYWDQZHZMV-YRWGSWDYSA-N 435.905 -0.181 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1779279508 BPOHBRKWZWJBJR-YCGBLELFSA-N 444.492 -0.359 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257549 ZFKCDXWCOAIIKV-YOEHRIQHSA-N 436.347 -0.866 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21)[C@@H](O)CCl 1784092018 DELSCDATWVSGRS-DZTUFKMZSA-N 427.929 -0.033 50 20 IBGD CC(C)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(C)C 1786960272 SHYNFEHXSCGIJC-ZIBCJSCZSA-N 445.369 -0.018 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1791257532 LQCKJHPFFLQIBI-XUXIUFHCSA-N 428.873 -0.206 50 20 IBGD O=C(CNC(=O)c1cccnc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189858 JLJZZHHTGVWCLK-REPLKXPHSA-N 436.277 -0.557 50 20 IBGD O=C(CCCn1ccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801304252 KRXDFINRIYBQDP-XEMDLRDOSA-N 426.282 -0.754 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807196271 TVMJYNXCFQMEMB-QINHECLXSA-N 447.540 -0.947 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cn2ccnn2)CC1 1827235962 XMMDLBUMANUMAF-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)N1 1836715432 SNTLFALHTARSTF-ZIAGYGMSSA-N 430.889 -0.817 50 20 IBGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cn2[nH]cnc(=O)c12 1838470705 CMPAOHHYDZYJPU-KBXCAEBGSA-N 441.847 -0.065 50 20 IBGD O=C(Cn1ccncc1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839665013 XCHJAECVCMNTIJ-GOEBONIOSA-N 447.261 -0.610 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840153765 ZCNAFPQLBVUBGO-KBXCAEBGSA-N 433.889 -0.461 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840154333 SUKMHUUMIVRBIZ-QKLQHJQFSA-N 446.976 -0.668 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1840182848 VXBSABGZIARDHZ-SOAGJPPSSA-N 426.489 -0.292 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 731177640 INBDTUTYKZMKOP-ZCFIWIBFSA-N 445.273 -0.396 50 20 IBGD O=C(CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NNC(=O)c1ccccc1Cl 735493466 PXEREXXREJRAHW-LSDHHAIUSA-N 430.914 -0.812 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1 746642139 VNONLFHQJXRNGY-GFCCVEGCSA-N 433.494 -0.258 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 755291984 LKFLTRQEWRZZBG-NSHDSACASA-N 442.523 -0.329 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 763678018 BMJVQXRLNVMYCL-UHFFFAOYSA-N 441.448 -0.748 50 20 IBGD O=C(NNC(=O)c1ccc[nH]1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763980007 RLBWUOPEEVZGLQ-MRXNPFEDSA-N 427.417 -0.571 50 20 IBGD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764227380 NQYDJHUVSSINAD-MNOVXSKESA-N 427.483 -0.762 50 20 IBGD Cc1cccnc1C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 764388152 ABFUDXWJHVNDAC-UHFFFAOYSA-N 431.474 -0.009 50 20 IBGD COC(=O)CCSCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764426021 SCILNHHDOINTAI-AWEZNQCLSA-N 425.463 -0.016 50 20 IBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1OC 769193024 HHUCJDDHVWHKIH-UHFFFAOYSA-N 425.467 -0.357 50 20 IBGD CC(=O)N1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc2C1 778539907 GPLHCIOYXGMZAS-UHFFFAOYSA-N 430.490 -0.156 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(Cl)c(Cl)cn2)n(C)c1=O 786157110 RCIZGUAJXWNSTF-UHFFFAOYSA-N 441.235 -0.012 50 20 IBGD COc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl 788759132 AKKCQZAXFARYNY-UHFFFAOYSA-N 435.828 -0.051 50 20 IBGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 916383727 PQAJBVIRDBKEHD-UHFFFAOYSA-N 436.498 -0.190 50 20 IBGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029186 NNZXZGKCBZNHEP-FQEVSTJZSA-N 432.481 -0.957 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1779034058 KOOUHOOHTXPGDM-OAQYLSRUSA-N 441.492 -0.195 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779126052 YOQNHVFDALCYBC-SCLBCKFNSA-N 428.873 -0.203 50 20 IBGD Cn1ncc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1Cl 1779862599 SKPXECLKTRGDLS-IBGZPJMESA-N 432.673 -0.489 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1(O)CCC1 1783511471 AMZPTCHDEGXRAW-XIVBQZFQSA-N 430.310 -0.489 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1783933879 KPMWYIXREMWTBQ-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1783934195 BXBPYJVQQDGUBO-XXBNENTESA-N 443.548 -0.096 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nn1C 1786979527 VOTPEFGMLWUVLZ-IEZWGBDMSA-N 426.282 -0.685 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787401326 DSHQDQUHKPXAKZ-GUXQRHPKSA-N 428.493 -0.372 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925672 GZWZALOSKQJBSU-CCJOIDDDSA-N 440.266 -0.279 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nn1)C2)c1cccc(B(O)O)c1 1795740255 KUHGNXPLTXUZEY-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800229659 MXKYSUCKUZRYJE-FAYQHZLMSA-N 434.254 -0.869 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807683332 RFBXWNXSUBALNA-KXBFYZLASA-N 449.475 -0.309 50 20 IBGD CN(C)C(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814561243 MZCBDMNDNIGBOB-INIZCTEOSA-N 442.285 -0.333 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1821956508 DYIYLYOSQWCVPO-CJNGLKHVSA-N 425.254 -0.469 50 20 IBGD CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724030 CHCKTSMFHPODEL-QFBILLFUSA-N 426.901 -0.183 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833998581 KZCDATIWMDAJTK-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)cc1O 1834819718 ZAUKVBQTQRLOFU-MRXNPFEDSA-N 431.287 -0.019 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(C)o1 1835929627 ZHLJWWCCAZWPDA-QFIPXVFZSA-N 442.277 -0.040 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1835933983 JICFPLFDDMJFSE-NNMXDRDESA-N 428.294 -0.518 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1837201099 GYKLDULPLTWMTP-DEYYWGMASA-N 435.905 -0.085 50 20 IBGD CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457010 VRIJKXFVZRFDQC-IIBYNOLFSA-N 449.508 -0.838 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840154669 CFOYIXJDOLVXIA-HNAYVOBHSA-N 442.900 -0.175 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1840182792 VFDZCXXAJCIDDL-DYESRHJHSA-N 439.557 -0.700 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188309 BYBNMRJWWLOTSH-ABAIWWIYSA-N 428.269 -0.689 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc(Br)c[nH]2)n(C)c1=O 28717916 HJDKLKWFAYCLKL-UHFFFAOYSA-N 438.242 -0.624 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(C(=O)NC3CC3)CCC2)CC1 735117610 ZGHAVIALCICDAA-UHFFFAOYSA-N 436.538 -0.090 50 20 IBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 743445278 MVIPAGDGSUAGAT-UHFFFAOYSA-N 434.478 -0.435 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)[nH]3)CC2)cc1 752126685 FHJNHFZKGWFKEI-UHFFFAOYSA-N 430.490 -0.038 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 758036814 VXVOZMDPBCFUDZ-PXAZEXFGSA-N 430.458 -0.178 50 20 IBGD C[C@H](CC(=O)NNC(=O)C(=O)Nc1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 758833453 MLZSQECGSBNERD-LLVKDONJSA-N 430.446 -0.315 50 20 IBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763842387 ZTSFSOBZSBBKOA-UHFFFAOYSA-N 434.428 -0.481 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 763861329 OFJRRRKCVMISIY-CYBMUJFWSA-N 446.464 -0.077 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 764231392 OVXIYCLQXSWSQH-JTQLQIEISA-N 427.483 -0.762 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COC/C=C/c2ccccc2)n(C)c1=O 765724547 LWPFBFIKVCPHKX-RMKNXTFCSA-N 426.433 -0.689 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)cc1OC 790692707 ZLIROIAVHFFEGT-OAQYLSRUSA-N 447.444 -0.071 50 20 IBGD Cn1ncc(Cl)c1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 797429333 QUSMABXLZLHPHC-UHFFFAOYSA-N 428.279 -0.002 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2N)n1 800234525 GQOZMLZFNBUWAC-UHFFFAOYSA-N 441.491 -0.755 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 801109043 UCPCPWJIFBSWEI-QGZVFWFLSA-N 431.493 -0.206 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(C)(C)O)ccc2F)CC1 801219574 LLTVYISJARDFOS-UHFFFAOYSA-N 430.458 -0.790 50 20 IBGD O=C(NNc1ncncc1F)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 815763803 BDKSLOUNRXCQPX-HNNXBMFYSA-N 430.396 -0.288 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1778780644 HHBXSFRTJQVBCX-OZVIIMIRSA-N 436.303 -0.088 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952788 GMMOIJWBFRGTHR-RVMXOQNASA-N 445.314 -0.309 50 20 IBGD CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1F 1785792810 UDOTVWADNCARRZ-QRTARXTBSA-N 444.272 -0.302 50 20 IBGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)O1 1788162543 JWQYWMMZGHDWLJ-QXBKKUCYSA-N 431.493 -0.154 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n[nH]1 1788610204 JVGFIKXGWDPUPP-IWEFOYFVSA-N 441.492 -0.122 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112771 DGUXVTUAKMAOIL-FMSGJZPZSA-N 440.360 -0.311 50 20 IBGD CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1F 1797749498 BIZHDLMKLFWKNR-CULMDFNYSA-N 445.455 -0.373 50 20 IBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799349728 CCLIIKYFMJVYEH-XLWJZTARSA-N 449.932 -0.549 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361030 DTKLOKGPERCXQT-WMZOPIPTSA-N 434.265 -0.477 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)[C@@H](O)CCl 1814870534 VWDLZKDWRKAKOT-QWRGUYRKSA-N 435.832 -0.559 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1819796050 YVFHSHGYMQATET-NOZJJQNGSA-N 443.489 -0.354 50 20 IBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825166895 YEUWBVMDPNWSAW-SNVBAGLBSA-N 431.478 -0.497 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050980 JBVJARZNIVNPLD-OALUTQOASA-N 444.341 -0.808 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1830705765 MNXWDIZLGLBPQX-HRLGVUPISA-N 432.901 -0.368 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731602 MUFGKWIEYSPMLW-YZVOILCLSA-N 426.901 -0.062 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819530 QQBAWOLPQFZSCK-HNNXBMFYSA-N 441.344 -0.338 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930665 SXMACKCQYSIGMT-KKSFZXQISA-N 434.298 -0.750 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711519 KZSVMDGTXHRZIQ-KBXCAEBGSA-N 430.578 -0.259 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837883926 VWCSVLCPAWHCKF-JKSUJKDBSA-N 432.949 -0.168 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840032298 URELOYAUNGPMLY-RHSMWYFYSA-N 434.331 -0.442 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1840182322 GXOVHONZOAKHIS-UTKZUKDTSA-N 440.541 -0.225 50 20 IBGD COC(=O)NCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846512232 MIMYPBAIOSDTHC-UHFFFAOYSA-N 446.508 -0.108 50 20 IBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC1CC1 9889591 QPNKOEMVMBXEIK-UHFFFAOYSA-N 430.870 -0.600 50 20 IBGD Cc1c(C(=O)NNc2nccc(N3CCOCC3)n2)cnc2c1c(=O)n(C)c(=O)n2C 749263975 XIVOCFVSKLVRBX-UHFFFAOYSA-N 426.437 -0.676 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCCCS2(=O)=O)c1 753275552 UVZNMEABXQYLQX-AWEZNQCLSA-N 432.524 -0.152 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 758031511 WHWNTQSZUIJDMF-VIFPVBQESA-N 426.904 -0.907 50 20 IBGD COc1ccncc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763739040 XVYITRRKPXAPFD-UHFFFAOYSA-N 435.462 -0.195 50 20 IBGD CCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765119415 PZCGIJCNVGXCAA-UHFFFAOYSA-N 429.474 -0.211 50 20 IBGD CN1CCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 780155197 XWXIIDLDTTTXBG-UHFFFAOYSA-N 437.522 -0.604 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 863998749 AVJGAHGICNUGNT-LBPRGKRZSA-N 438.462 -0.613 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4nccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786981884 OGZDZDFACWQHRP-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788488528 YFKOQOQYVKQLCB-NGODJESCSA-N 436.339 -0.882 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc2ccccn12 1792933442 UWPCKWMORQBZIX-MFKICJERSA-N 442.520 -0.161 50 20 IBGD Cn1cc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796715150 AQHJFRQUXWIDBF-DPIQGUFMSA-N 430.440 -0.320 50 20 IBGD C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800751225 LDCBHDZAEMOZST-VYCZESIESA-N 433.509 -0.697 50 20 IBGD CS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817054346 AMSMUIWVQRNHQN-AWEZNQCLSA-N 449.493 -0.241 50 20 IBGD O=C(Cn1nccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823111283 CQYMZMPTXAJAMG-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CN1 1829957100 YUFFRXBEFCJYDJ-NORZTCDRSA-N 436.278 -0.341 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1830370492 QXOBYCUQQFIWAB-IBGZPJMESA-N 427.885 -0.367 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831488004 UQZKLKRYQKQXDE-YLJYHZDGSA-N 436.339 -0.609 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1)[C@H](O)CCl 1833310672 OEPIOMHKCUPJQP-CQSZACIVSA-N 427.889 -0.327 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1834166064 ZHKVSOUQQMKEEX-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929492 RHFJMDQLDNGOGX-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837727425 KHQBHSIXKJLTPH-DNVCBOLYSA-N 433.933 -0.141 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1 1838755171 CTTPYKHESQBJSL-KBXCAEBGSA-N 429.905 -0.297 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 729274846 FSKZLFKIPVVVGK-IGQOVBAYSA-N 428.511 -0.563 50 20 IBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Br 731104663 VFYBLRMXSHLLSP-ZETCQYMHSA-N 441.281 -0.109 50 20 IBGD Cc1c(C(=O)OCC(=O)NNC(=O)c2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 748427877 NFXMMAHKIXRBRZ-UHFFFAOYSA-N 431.430 -0.380 50 20 IBGD Cc1nc2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2nc1C 765723887 FQRFTIWROVEPCZ-UHFFFAOYSA-N 436.432 -0.545 50 20 IBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765732489 WBEIVFSLKSTJLX-JTQLQIEISA-N 434.840 -0.298 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnc(O)c3)CC2)cc1 766635878 HYXUILXBNWZAFZ-UHFFFAOYSA-N 433.490 -0.137 50 20 IBGD NC(=O)COc1ccccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766642122 JQDAAYVPDBBRHL-UHFFFAOYSA-N 439.472 -0.230 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 767356192 IDGKFVRSNOVNNF-UHFFFAOYSA-N 447.469 -0.199 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770993017 ZGVVOFALFDHJGW-UHFFFAOYSA-N 448.465 -0.209 50 20 IBGD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 778252904 VSCMPWBAMCZXFP-CMDGGOBGSA-N 429.477 -0.330 50 20 IBGD Cc1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C 793349284 NGQGTDOUNIWDOA-UHFFFAOYSA-N 443.507 -0.627 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 895714390 BGIJBSIEAJZJQS-LBPRGKRZSA-N 431.540 -0.137 50 20 IBGD O=C(NC[C@@]1(N2CCOCC2)CCSC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916636446 CQUNEJNBDVLNSS-SFHVURJKSA-N 432.510 -0.186 50 20 IBGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1cc(Br)c[nH]1 918778349 AKUQMBVACMIJBA-UHFFFAOYSA-N 441.286 -0.102 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919839344 LOCHSVUYODBFQV-GFCCVEGCSA-N 441.466 -0.333 50 20 IBGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919886337 VSEHNCJNBPXSOV-SEDUGSJDSA-N 443.526 -0.359 50 20 IBGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)n1 1780270749 TYZSSJADZAIDEF-NRFANRHFSA-N 425.250 -0.467 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCOCC3)[C@H]2C1 1786611756 ANODHJWUNVWXKF-WBAXXEDZSA-N 431.493 -0.295 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccn2nccc12 1790398716 MWBCZCDXPXYSNA-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792581754 BAWFJKNVLBVJOT-ASFMSOSWSA-N 444.492 -0.764 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1792872086 LNLZXGXGLUURHX-JFILPPLUSA-N 427.299 -0.136 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1797751739 QUORVLAKWWJTBL-GISGIKCKSA-N 443.508 -0.640 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802918833 KGGGXLONQLOTBW-QGXOGZIWSA-N 428.449 -0.468 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810348025 ICPSUQUNHTZFDK-RCJHGTSTSA-N 426.901 -0.662 50 20 IBGD CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C(=O)O 1826085249 LDNJVYLZCVQACB-ZYHUDNBSSA-N 440.526 -0.509 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1 1834373954 GQOKRLQKPJOXQJ-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)c1 1834798051 YNIIMTFOWZEXNU-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834912462 GNKCRBDDTUWKBP-YPKZHZFPSA-N 427.408 -0.158 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535802 KCXOLIFGXIHFOL-GOSISDBHSA-N 448.992 -0.902 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840156680 XAYMFDQSRHNCDD-KXBFYZLASA-N 431.917 -0.291 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1ccn(CC(=O)N2CCOCC2)n1 756654485 KYMHDTDQLNPITP-OAHLLOKOSA-N 430.421 -0.265 50 20 IBGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc2n[nH]cc12 757817050 DCAXODVWDBKNRR-UHFFFAOYSA-N 425.409 -0.529 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 758048460 SQZMNZZCHKBBGC-LLVKDONJSA-N 445.457 -0.210 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNc2nccc(N3CCOCC3)n2)c1 762869354 WZPDZIQUDNKICC-UHFFFAOYSA-N 436.494 -0.005 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 762973287 RRHLBOKMJLTOAU-NSHDSACASA-N 448.457 -0.315 50 20 IBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 763015218 WYQDIRCZQLFCNX-ZDUSSCGKSA-N 436.494 -0.033 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2c1CCC2 764232709 SXQVKKWVTQGHLS-MRVPVSSYSA-N 446.507 -0.563 50 20 IBGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 777648711 WKFLQGWYQLKUQZ-UHFFFAOYSA-N 436.512 -0.181 50 20 IBGD COc1cc(Br)c(F)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 779832201 LBIDDKLIBITNSO-LURJTMIESA-N 448.292 -0.156 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccnc2C(F)(F)F)n(C)c1=O 788591364 RQYOMCYIOKIZFI-UHFFFAOYSA-N 425.327 -0.691 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnnc(-c3ccccc3)c2)n(C)c1=O 810591360 BNMIIDPHYRIUIN-UHFFFAOYSA-N 434.416 -0.648 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 817053181 GZVRCASEVGWKMM-CHWSQXEVSA-N 444.535 -0.584 50 20 IBGD CCc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCOCC1 916758784 MMOFDUOSMAMXOV-UHFFFAOYSA-N 438.506 -0.347 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21)c1ccc(B(O)O)cc1 1786981859 NDNDYJFURSNJTN-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(F)cc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786983702 UNBOWIYDEBKJKL-OWQGQXMQSA-N 445.231 -0.053 50 20 IBGD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737520 QPDBPZWSOOONFX-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737543 SXGFRDRQPRGMDH-OPMZPASUSA-N 438.289 -0.043 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1806634017 MDUJCOUDLMBFCU-XKGZKEIXSA-N 436.277 -0.640 50 20 IBGD CC(=O)NC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349981 BPOCLWZWKWKFLU-AWEZNQCLSA-N 444.322 -0.037 50 20 IBGD N=C1NCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826871247 FMIWDSHGZLBALZ-IBGZPJMESA-N 441.341 -0.560 50 20 IBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830733674 QXYTZGXZYLFNQD-LIRRHRJNSA-N 449.932 -0.044 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831328745 IXLBPGUOLOVUQL-NHYWBVRUSA-N 446.353 -0.426 50 20 IBGD C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833468572 CEMLFLYKBBTYHK-KRWDZBQOSA-N 435.569 -0.031 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835931237 JFZCCWXAJAJCPD-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)o1 1835939795 IJTSKBWBABTKBV-JOCHJYFZSA-N 442.277 -0.419 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201072 QZWIRXXJBOVKKJ-BLLLJJGKSA-N 438.294 -0.095 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839643236 GBWAUZSAWIIRGZ-UZLBHIALSA-N 427.546 -0.844 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1840183535 KTIQWZXTXVYNEH-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl 747790368 GLHIIMVFTQOYGM-QMMMGPOBSA-N 426.904 -0.711 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccc(F)c2)n1 760980709 LXWSWTIXCTWOHN-UHFFFAOYSA-N 444.466 -0.198 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cc2)c1=O 763808319 KJMFLPQSNGZWSW-UHFFFAOYSA-N 435.400 -0.392 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n([C@H]2C[C@H]3CC[C@H]2C3)n1 764225631 BDYBVPXERVKGKL-VOAKCMCISA-N 426.499 -0.424 50 20 IBGD C[C@H]1CCCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C1 764227708 QSHMAJRTERAUGT-UONOGXRCSA-N 439.538 -0.058 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 764228065 ULYUOGBHLASXEW-SNVBAGLBSA-N 438.510 -0.106 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cccc(Cl)c2)n(C)c1=O 765125363 NMGHOIYYQQCUCG-UHFFFAOYSA-N 426.842 -0.903 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765318711 NCABTVKHGWAQJW-LLVKDONJSA-N 432.503 -0.461 50 20 IBGD CO[C@@H](C)c1nc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 766639403 PLZTYTVQMYJTQX-VIFPVBQESA-N 435.466 -0.633 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 789111496 FEHCULPZEIZUMI-HXUWFJFHSA-N 446.460 -0.085 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 792853078 CINGZYDUTMBJNJ-HUUCEWRRSA-N 447.583 -0.080 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C 798308839 PAINUQIRYKDJNO-DZGCQCFKSA-N 436.490 -0.575 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861135 NOSIRQNUURWEQO-UHFFFAOYSA-N 436.446 -0.903 50 20 IBGD COC(=O)c1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 806977064 UGKIDPCBKLQMCC-SECBINFHSA-N 431.854 -0.044 50 20 IBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 816880645 PAWFMNUPJSSBFO-AWEZNQCLSA-N 428.449 -0.224 50 20 IBGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914719748 PNPADYQUQWCUDR-BUXKBTBVSA-N 434.474 -0.433 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 920297730 DZGWFFWOJFYASH-LBPRGKRZSA-N 432.524 -0.440 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1779543833 RHEDFFGKONXQPS-QMTMVMCOSA-N 428.606 -0.055 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1782214443 QRZMYVGWWBQYGM-OXQOHEQNSA-N 435.529 -0.445 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1783933182 CZPWWLAUFPRDCK-OAQYLSRUSA-N 443.508 -0.366 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1783934191 BXBPYJVQQDGUBO-AUSIDOKSSA-N 443.548 -0.096 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784349438 CJZDXIXBCOLDAG-QVKFZJNVSA-N 432.525 -0.283 50 20 IBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786980007 YKYAYUCUUXQBHX-XIRDDKMYSA-N 444.322 -0.638 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 1789391412 HNJWSZMWLYJRDQ-QRTARXTBSA-N 442.237 -0.490 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789916719 XJVMBRXTZPZRTD-YFRLFMDHSA-N 435.481 -0.891 50 20 IBGD COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795354072 QYGKWDNLCKKTOX-RBZXCYDUSA-N 435.481 -0.627 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1S)C2)c1cccc(B(O)O)c1 1795736870 MASQPUVWBHXDCJ-XOIINTDNSA-N 427.291 -0.433 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797587223 FZTNNCBHKQTYHR-VEOFNUSFSA-N 426.239 -0.669 50 20 IBGD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1O 1830243461 NXBLLBMMYAWWLK-OXQOHEQNSA-N 442.896 -0.001 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834432816 WCCNQNYLZCHGDW-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258005 ZCFKGOHMFZMRQJ-HUUCEWRRSA-N 431.338 -0.276 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1835940212 ZHIPIGYJEAJDNO-DCXXXQMHSA-N 444.318 -0.689 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836911832 CITZAWPQTRHIGP-HNNXBMFYSA-N 439.557 -0.131 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839769670 PWPXOPSOXCEKAA-VTSIUKLDSA-N 435.456 -0.065 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1840151132 VXJVVNNPHFZJPA-DNVCBOLYSA-N 433.933 -0.141 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840153433 OMBJWTWRGCOYQC-KBXCAEBGSA-N 442.856 -0.501 50 20 IBGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)on1 1840182786 UJRZIEBCDDOUDY-FQEVSTJZSA-N 437.497 -0.645 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1840185529 ONAZQNMXSZPLHQ-QFIPXVFZSA-N 447.536 -0.054 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C[C@H](C)O1 732264675 WGBDNHCLKOSBBN-IRXDYDNUSA-N 443.504 -0.295 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 740851197 ULLCJUCGVFLKIS-RBSFLKMASA-N 444.554 -0.452 50 20 IBGD O=C(NNS(=O)(=O)c1cncc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 745383244 YTGQPFDFCVOGJM-UHFFFAOYSA-N 444.466 -0.135 50 20 IBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1S(=O)(=O)N1CCOCC1 755414543 YFZQRCOBGOHQAY-AWEZNQCLSA-N 444.466 -0.716 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCc2ccc(S(N)(=O)=O)cc2)n1 762036594 DFZGAJSORDBUNZ-UHFFFAOYSA-N 440.503 -0.035 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccccc2C(C)(C)C)n(C)c1=O 765727669 MCWBGXNARRLFIT-UHFFFAOYSA-N 442.476 -0.042 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1778793701 ZNPCYUUFOJGQNI-RXVVDRJESA-N 432.282 -0.602 50 20 IBGD Cn1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1=O 1779028663 HIQNQTJADFDOBI-OAQYLSRUSA-N 440.460 -0.859 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779937054 MHZYTOCTTYRXEO-SEDUGSJDSA-N 425.873 -0.697 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCCn3ccnc3)C2)C1 1784398957 MGFNDRJKUZYTST-OAQYLSRUSA-N 441.492 -0.195 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979895 XUKQWOZQZQQRHS-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984974 FQUSTAWWQBZPFA-IKICRFKJSA-N 448.281 -0.479 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788352033 SPISHHKIBYUTFA-ZOBUZTSGSA-N 448.524 -0.368 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2nonc2c1 1796882452 IXNFAPLOLPENQV-CCWDJLKJSA-N 436.233 -0.580 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 1797748446 BKZQWOHPWSLBKX-DRXBFXEBSA-N 427.417 -0.636 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3cncc3c1)C2 1797751561 GZMYFYNJIOSGCV-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD O=C1CC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)N1 1815354663 PHHVPPAJFROXAI-OCCSQVGLSA-N 428.279 -0.673 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830539484 HKTVGSCWDUUVKI-ZBEGNZNMSA-N 431.287 -0.650 50 20 IBGD Cc1occc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834139069 HGYCHYKQVQQDEE-OAQYLSRUSA-N 443.460 -0.030 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834532631 OQXNOKCCXDBRFB-SCLBCKFNSA-N 428.873 -0.191 50 20 IBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1834822602 XLNVXZBIJJKHSE-QGZVFWFLSA-N 434.331 -0.440 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835550898 QOLFQRDBOJATSO-IBGZPJMESA-N 436.421 -0.451 50 20 IBGD C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1(F)F 1835941470 LDMIWAYNPUEULT-MOPGFXCFSA-N 438.236 -0.518 50 20 IBGD CC(C)[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836750879 XDUOUNOXOQHMJR-HXUWFJFHSA-N 432.326 -0.005 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840549700 HMXWQRCGAQBOPT-KRWDZBQOSA-N 436.603 -0.271 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)C 10214340 INBWHNXAKVPSLP-LBPRGKRZSA-N 433.508 -0.422 50 20 IBGD COCCN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1=O 728215231 WYQKQMVDZMRGSQ-HNNXBMFYSA-N 439.538 -0.439 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)C(=O)NC2CC2)s1 729615149 YZGDSNAIKYAFFC-UHFFFAOYSA-N 431.540 -0.070 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1ncn2nccc2c1=O 732864365 SUBDZZHTCAHJRJ-UHFFFAOYSA-N 434.796 -0.443 50 20 IBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763675207 UGXPQTYBZANGHP-UHFFFAOYSA-N 445.457 -0.060 50 20 IBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3cccn3C)c2)CC1 763995321 GSCHQYJYBPFEHK-UHFFFAOYSA-N 448.505 -0.639 50 20 IBGD CC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Br 775672750 SLRSBUFMZRIBBD-SSDOTTSWSA-N 442.313 -0.101 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 807381307 NNHHQCYIKZVRLF-RCMYXZNBSA-N 428.493 -0.222 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cncc(C(F)(F)F)c2)n(C)c1=O 808408521 SBNVLFUYMPJFQC-UHFFFAOYSA-N 425.327 -0.691 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778691484 DYONVHZNPZTCRJ-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332420 YIFXSXRQLJROLC-IMSIIYSGSA-N 426.239 -0.429 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981012 LOGRVTQOFOXDTP-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3ccoc3C1)C2)c1cccc(B(O)O)c1 1795737832 YBPSCQNNMOAAGK-DCXXXQMHSA-N 438.289 -0.032 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801270530 NWNDXHIKYAIJES-CJXDPKRBSA-N 432.525 -0.523 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360386 KMADHQWHAMCMIR-VQIMIIECSA-N 447.260 -0.110 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1808409048 KVEZMIRAKNNXKQ-RRKGCFTPSA-N 428.449 -0.468 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1819801052 YIDKVCHSOVDXEE-VHSXEESVSA-N 443.489 -0.497 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)o1 1831790750 WODJBYREWYJXJU-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1835927099 FIOGEEWJUJOWNH-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934352 XEUAXDQJSZVYMY-QFIPXVFZSA-N 446.309 -0.581 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839785425 QQLLSAKBADEWRL-ZQIUZPCESA-N 438.930 -0.726 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1840150609 OLKWEAUWNQVDPC-SCLBCKFNSA-N 428.873 -0.064 50 20 IBGD CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840523073 HTTZBNLWVVQSLY-HXUWFJFHSA-N 435.481 -0.818 50 20 IBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 741646444 ILIGOOGRXOCJEV-UHFFFAOYSA-N 448.299 -0.526 50 20 IBGD O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1ccccc1 753640425 OAZWVARLJLTOLL-CYBMUJFWSA-N 436.446 -0.844 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccccc2Br)nn1 758035708 NOZRRQRLDGVKCW-QMMMGPOBSA-N 431.272 -0.272 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CCN2CCCCC2)cc1 764233352 VJQJRZNXTRQZKD-AWEZNQCLSA-N 439.538 -0.261 50 20 IBGD CN(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O 778417877 YZETZQXPOZCUAV-LLVKDONJSA-N 426.904 -0.537 50 20 IBGD O=C(NCCOCC(F)F)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788319588 MXDJUDBMMAYCIK-UHFFFAOYSA-N 436.437 -0.067 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 792642150 OWZSNUQPUXAVPW-ZETCQYMHSA-N 446.429 -0.224 50 20 IBGD COC[C@]1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 813420769 MWGJUFMFQJZXBU-PXAZEXFGSA-N 434.515 -0.223 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(-n3ccnc3)nn2)CC1 1321894385 VHEOXONFENIRJG-UHFFFAOYSA-N 443.493 -0.250 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3CCS(=O)(=O)CC3)cc2)CC1 1338980173 PBPOLFXNANXZHR-UHFFFAOYSA-N 430.552 -0.109 50 20 IBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n(C)n1 1779623791 OWHMUHOWRQDXEG-OAQYLSRUSA-N 426.282 -0.580 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1779766631 UCEULTPYVLFKOS-NRFANRHFSA-N 432.525 -0.036 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n(C)n1)C2 1782209088 KMFCARQAFBSQJS-FOIQADDNSA-N 436.513 -0.374 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262395 OMHATFMVCYUXPK-RHSMWYFYSA-N 436.347 -0.724 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740525 DXCQMWCPMNYSOP-JLVBRIDZSA-N 447.297 -0.906 50 20 IBGD O=C(Cc1ccc(F)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795794699 NTZOUFFOJGMRRB-YVWYUNDQSA-N 427.241 -0.654 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812648140 HDPUSXBWCWKBPJ-HEFCMCLBSA-N 438.293 -0.394 50 20 IBGD N[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1cccnc1 1830722888 IMIUIZGTBUEZSY-GJYPPUQNSA-N 426.901 -0.472 50 20 IBGD O=C(CCc1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833048254 OGGBGMPRIVFPTC-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839782823 KIYLPZFBRVYLDS-MAUKXSAKSA-N 448.614 -0.129 50 20 IBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 728434779 PTXLKGPGKQXPES-AWEZNQCLSA-N 447.583 -0.306 50 20 IBGD O=C(NNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 733255356 SBZCOYRREKFYEM-IAGOWNOFSA-N 445.501 -0.060 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 744446694 KDMYEBLYRZBIHK-UHFFFAOYSA-N 425.511 -0.177 50 20 IBGD CN1CCN(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1=O 763284783 VMYSDRINNABDER-UHFFFAOYSA-N 448.487 -0.077 50 20 IBGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783428852 YBVZJOUDRFSLOV-PXAZEXFGSA-N 446.551 -0.100 50 20 IBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc(C3CC3)nc21 917940879 HFEGDCJTEGLBHT-SNVBAGLBSA-N 435.462 -0.410 50 20 IBGD Cc1cnn(C)c1C=NNC(=O)C[C@@H](C(=O)NN=Cc1c(C)cnn1C)N1CCOCC1 1257405710 ULHYMZTVZGXQQP-INIZCTEOSA-N 443.512 -0.538 50 20 IBGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 1319161542 RSUOQGPISZGJBA-UHFFFAOYSA-N 429.480 -0.936 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790174372 ZOXYOMNGKLOZPF-MJDBTJCESA-N 435.905 -0.591 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)ccc21 1792978423 VCQSDKHAOPDZKV-RMHZUWNSSA-N 436.896 -0.320 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1 1794671385 RSTFGQSRYNJOEV-HXQQXZKVSA-N 425.449 -0.186 50 20 IBGD CC(C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccn1 1795737170 ZORPDCPUXMUAGE-XEMDLRDOSA-N 437.305 -0.058 50 20 IBGD O=C(Cn1ccnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805878767 NMWLIJNWMHMNMY-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807054192 DXGJDMPTIKZUSJ-TWOQFEAHSA-N 447.540 -0.947 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808417574 MXYMFHKYEVFVSY-YJRUMGGASA-N 440.508 -0.493 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1ccnn1 1824683508 SPJUXGPCGDEWII-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830597891 UWTBUYKWLHRHNT-KURUZVKSSA-N 445.476 -0.444 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1831657016 KQALLMIIJONIJS-APWZRJJASA-N 435.949 -0.863 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C1CCOCC1 1834544309 SFIIQSYLDZVROI-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835642343 KRBCLQJAWBVKTE-GOEBONIOSA-N 434.921 -0.778 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837608123 WPSCVWLBXMMINC-YEWDVWPNSA-N 443.863 -0.414 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839965727 IPBIJOWPPZYNCB-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843326138 ABXRKHVTGVOZJX-AWEZNQCLSA-N 441.529 -0.552 50 20 IBGD O=C(NNS(=O)(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 740706475 ZTAUUYNLVHMIQK-UHFFFAOYSA-N 432.524 -0.327 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 751302333 HZVBYLVYAGLUAG-KBPBESRZSA-N 433.490 -0.003 50 20 IBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737094 VWASHAFGPXPRGH-UHFFFAOYSA-N 432.525 -0.952 50 20 IBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 772884020 HLBXZYGSPFMSGL-UHFFFAOYSA-N 437.865 -0.399 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 789840216 WDWYIVSCLKHYOL-GFCCVEGCSA-N 429.524 -0.281 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)COCc2ccccc2)n(C)c1=O 800517110 KRXKHSWPAJRGNT-UHFFFAOYSA-N 442.476 -0.176 50 20 IBGD COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919960755 GTTAWOYXUGJMMC-VIFPVBQESA-N 425.872 -0.194 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783174759 TUCYKVHFXNTMTC-LUROKIFGSA-N 432.481 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783343080 KZCJRTKGGMNRQU-XMSQKQJNSA-N 432.521 -0.207 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1783934290 CUJIYZQEDHYSSI-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 1783935472 UJOFIXJUBVIEGV-NRFANRHFSA-N 447.492 -0.331 50 20 IBGD Cc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737233 IKRDMDAJSNUWGM-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754166 MSDLABJIBHWBEL-ZXFNITATSA-N 441.492 -0.579 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1797793410 MZGLTQHPAIMZJU-YVECIDJPSA-N 425.265 -0.126 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806912047 IXTCVDPTTOXZGG-XMSQKQJNSA-N 446.552 -0.207 50 20 IBGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cnnn1 1822854530 YCQJNCWMJSFFGX-MLGOLLRUSA-N 438.257 -0.357 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478746 ZKSDYJTULIWZQV-SJCJKPOMSA-N 444.282 -0.061 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnsn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797338 DYWGHQJBFUZBBD-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564801 UYRGOHTYFUWGRF-IIYDPXPESA-N 449.346 -0.791 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1835935630 WJFJRJVJHBRBEG-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD O=C(c1cccc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939421 PYVVWALNOSTJSK-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839643232 GBWAUZSAWIIRGZ-JXFKEZNVSA-N 427.546 -0.844 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839649287 IVHWYVZRSRZMHH-KDOFPFPSSA-N 428.873 -0.829 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840923246 DTSQPLIFSQGOQT-OAQYLSRUSA-N 448.350 -0.420 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cccnc3)c2)CC1 728856072 NCLGGMGIBRXCMH-UHFFFAOYSA-N 445.501 -0.062 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308043 SBGPTLLBPWZUQF-HNNXBMFYSA-N 443.547 -0.184 50 20 IBGD O=C(CCCN1C(=O)CNC1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620088 BXROWGOFADBHRV-UHFFFAOYSA-N 425.467 -0.517 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)N[C@@H]1CCS(=O)(=O)C1 751362374 OINTUIWGCDNBQC-DZGCQCFKSA-N 448.505 -0.067 50 20 IBGD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 755255091 FVGHRVDMWASDFV-QPSXIRMHSA-N 426.429 -0.036 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 758043730 JRLXOSBOCNVMEB-LLVKDONJSA-N 432.524 -0.855 50 20 IBGD NS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cs1 760635700 MFVPMIBDRJHGEK-LBPRGKRZSA-N 441.443 -0.460 50 20 IBGD CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764229474 AJGQNQOEENQNDQ-LLVKDONJSA-N 427.483 -0.305 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OCC(F)(F)F)c1 764230315 HDROBEGNEMAYCV-SECBINFHSA-N 440.400 -0.040 50 20 IBGD CC(C)c1ccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764378698 MCHBQAXTIAIXNM-UHFFFAOYSA-N 441.448 -0.657 50 20 IBGD CSc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765732917 YHYNJQDQZCMLKN-LLVKDONJSA-N 446.489 -0.230 50 20 IBGD CC(C)(C(N)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 767453913 NXFIDKFVDIHNKD-UHFFFAOYSA-N 426.495 -0.701 50 20 IBGD C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1=O 789045889 OSDPOAJUUAFYMS-FQEVSTJZSA-N 434.416 -0.110 50 20 IBGD CN(CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 816509701 ZCXLYKSGWCBNAO-KGLIPLIRSA-N 432.543 -0.100 50 20 IBGD CN(CCCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)S(C)(=O)=O 916580177 HRTVRKOQPXPAKH-UHFFFAOYSA-N 440.570 -0.189 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883604 BOFNHBDKQWLJQW-AWEZNQCLSA-N 429.520 -0.143 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 1780097080 PBVNOKJJDPQLGO-KXBFYZLASA-N 435.437 -0.750 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783533084 QNHPJAVHDRPZCV-PXAZEXFGSA-N 425.088 -0.407 50 20 IBGD CCOc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1 1783935021 MSCRNSYWJLHTHX-FQEVSTJZSA-N 434.497 -0.308 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643366 KQBRGNVUVQXOLO-NRFANRHFSA-N 440.460 -0.528 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785265721 TYFQZBZUFUFCNJ-QFIPXVFZSA-N 442.252 -0.245 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984005 JVIVVWKCFZNTDN-SZMVWBNQSA-N 434.374 -0.189 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791288560 FKKCKGWDNRETOD-DZKIICNBSA-N 435.481 -0.948 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccn2ccnc2c1 1797445650 RBJPIDLKHDIHKJ-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnncc1C(=O)O 1798779039 BQEAKBRYSHYMTA-ZSBIGDGJSA-N 439.432 -0.261 50 20 IBGD COC(OC)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803346244 YDYFHSANCJYNFN-WMZOPIPTSA-N 427.266 -0.300 50 20 IBGD N=C(N)SCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807000782 HPHQFDOTOAOZNS-YJBOKZPZSA-N 441.322 -0.292 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808261472 KEIIZEKYTYAPQH-DZZJZNDMSA-N 440.508 -0.493 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CN1 1809967767 LLBOTEHMPXGWJN-KRWDZBQOSA-N 427.310 -0.263 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1813069017 RSVDUDFYFOLCIN-MPGHIAIKSA-N 432.481 -0.431 50 20 IBGD O=C(CN1CCCC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814594186 PAFLEHAWUZRQJA-CQSZACIVSA-N 442.306 -0.329 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817298885 WUCBCEVVFWMYNI-CQSZACIVSA-N 433.517 -0.385 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1C1CC1)CCO2 1830497076 XETODTJCTIJZTN-JLHGSKIFSA-N 443.504 -0.199 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1830538045 UMXJRVVJWYGTKX-PBFPGSCMSA-N 449.346 -0.933 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830559579 KAFNYETZGBPLER-VGSWGCGISA-N 428.294 -0.207 50 20 IBGD CN(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(=O)OC(C)(C)C 1830723909 UJGDJMQFJDEHTR-IFXJQAMLSA-N 449.932 -0.091 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726105 UUBPKHUFQFQOEG-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)o1 1834090546 OPKWHOWBMZGUGG-QFIPXVFZSA-N 442.277 -0.040 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCOC3)CC2)CC1)c1cccc(B(O)O)c1 1834801442 JUEXVVULZZUQET-GOSISDBHSA-N 443.353 -0.022 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835261894 VJFSWNZNBCIZQX-FZMZJTMJSA-N 427.317 -0.729 50 20 IBGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835737316 HHXUCCCXCJHFQU-OAHLLOKOSA-N 434.006 -0.358 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927885 ZRVHVHSIISKDEU-HRAATJIYSA-N 432.282 -0.973 50 20 IBGD COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837921103 ZOFAPVNWSPHYKJ-UHFFFAOYSA-N 447.297 -0.665 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839965725 IPBIJOWPPZYNCB-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 29071648 XXLXYYMMGBZNNZ-CQSZACIVSA-N 444.941 -0.086 50 20 IBGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 725873694 PDTICCQVUHJJKV-UHFFFAOYSA-N 425.492 -0.083 50 20 IBGD CSC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 728373313 ZMCZVTBUXDURQN-MROQNXINSA-N 431.536 -0.525 50 20 IBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731809209 QUJBFYFHIPGZOM-CQSZACIVSA-N 426.414 -0.138 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C 736311206 DWSHESVHXCTKCC-ZIAGYGMSSA-N 444.579 -0.533 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 744446614 FXZGIKQJFZXLLB-BETUJISGSA-N 426.495 -0.230 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 747495724 MTQIIYDCURIKNH-UHFFFAOYSA-N 447.521 -0.499 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)oc2c1C(=O)CCC2 766643986 NCVBKZHDHZRGRO-UHFFFAOYSA-N 428.405 -0.685 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 768638173 FOLVKUGCZNGDSI-UHFFFAOYSA-N 433.446 -0.199 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@H](O)c2ccc(Cl)cc2)n(C)c1=O 772813205 UNKCTKJADVPQKB-LBPRGKRZSA-N 434.840 -0.642 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2c(Cl)cccc2S(C)(=O)=O)c(=O)n(C)c1=O 773192119 XDWOSYLANCSCNM-UHFFFAOYSA-N 445.910 -0.222 50 20 IBGD Cc1cc(I)ccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782965030 DSDGJHPDTDGNJG-UHFFFAOYSA-N 430.202 -0.036 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 783891416 XJBYQJQQMIWSCW-SECBINFHSA-N 430.487 -0.598 50 20 IBGD CN(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 915880722 XJKCVFLJVXMRRZ-NSHDSACASA-N 438.915 -0.522 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NN/C=C1\C(=O)NC(=S)N(CCOC)C1=O 920978882 LUFVDSBZHKJONQ-ZRDIBKRKSA-N 430.490 -0.007 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1779031532 AZKACYQHEJOSKW-IBGZPJMESA-N 445.867 -0.114 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nccn34)C[C@@H]21)c1ccc(B(O)O)cc1 1786981946 RRJXTNSMBSBZMV-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1794511949 PKLVUOCKJBZZPK-FVCICTRLSA-N 430.245 -0.692 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795604625 QEOHJZXBKLWGCL-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188229 DGTBISYHPOXRDO-BCDXTJNWSA-N 438.293 -0.234 50 20 IBGD Cc1nc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798315564 OEBHHBCJNPJBSF-CCWDJLKJSA-N 427.241 -0.274 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccccc1C(=O)OCCO 1798566569 PNWKFGFYWCNQCM-DLTLXFJOSA-N 440.880 -0.361 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808261474 KEIIZEKYTYAPQH-MIKCDZHASA-N 440.508 -0.493 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1810301660 BJPJQEVQNXVCBK-DNVCBOLYSA-N 449.475 -0.309 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830538217 YKQLWXASRCCCBW-QAPCUYQASA-N 448.358 -0.194 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731228 ICVUNDCPYDFNPD-OXJNMPFZSA-N 449.895 -0.063 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832474876 QHBXMORAMMKGCH-UGSOOPFHSA-N 430.889 -0.598 50 20 IBGD O=C(/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)NC1CC1 1839200882 RLXPYTUHPIRIQU-AAAUKVELSA-N 448.289 -0.032 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840153457 OWLBHLFTUKKHJG-DAFSOKFYSA-N 429.901 -0.469 50 20 IBGD O=C(NCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccs1 1842063854 DSZMWZQAKQMEBE-UHFFFAOYSA-N 427.291 -0.325 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3ccc(C(N)=O)o3)nc2)CC1 753018565 NTEXUDQHDZDDBM-UHFFFAOYSA-N 437.482 -0.464 50 20 IBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)C(=O)Nc1ccccn1 768441592 DTRSICAAKFZLNH-AWEZNQCLSA-N 436.469 -0.167 50 20 IBGD COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 792269788 YQNWEYABRUXSAC-LURJTMIESA-N 427.361 -0.867 50 20 IBGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1(S(C)(=O)=O)CC1 807481481 FWLPNPFGKHRSBU-LLVKDONJSA-N 432.524 -0.153 50 20 IBGD CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 815102973 VIOUKCJPSLEBTO-CJNGLKHVSA-N 426.495 -0.276 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNS(=O)(=O)CC)c1 916517238 YULDKXFBPJISET-UHFFFAOYSA-N 449.555 -0.400 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781661631 MRPGQDCOICVOKW-OAQYLSRUSA-N 428.225 -0.032 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1788475198 IIXNEHHCEJVMFT-CUOUOBHDSA-N 436.303 -0.186 50 20 IBGD Cc1ccn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788611520 IJOQULDIGUIGQJ-WBAXXEDZSA-N 441.492 -0.516 50 20 IBGD CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)COC1 1790743534 KBTPQERRERNCAT-JQFCIGGWSA-N 431.493 -0.295 50 20 IBGD N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1799641887 RUPQYXBIGNFXTM-CEQLMSFQSA-N 433.273 -0.051 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1813069286 WOTQDYQOBKBKRN-JXFKEZNVSA-N 447.540 -0.268 50 20 IBGD C[C@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350296 OVMHLMVFLWVVOG-ZWNOBZJWSA-N 430.295 -0.440 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830728212 QNGDPSOKPGOKHA-OGHNNQOOSA-N 432.930 0.000 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732801 ASWYQPJUYCMFKK-YJBOKZPZSA-N 443.840 -0.030 50 20 IBGD COC[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833525910 YTRXSRSDPQQAEL-INIZCTEOSA-N 431.342 -0.166 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1835526055 UXMBZAKVSNUMJK-MLLBMZPXSA-N 434.497 -0.828 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717874 PXGKBVRTGSKXRE-RTBURBONSA-N 446.573 -0.090 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840153435 OMBJWTWRGCOYQC-KSSFIOAISA-N 442.856 -0.501 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cs1 1840183758 YJMSLCOVBNXDKH-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)C(=O)NC1CC1 10215854 GJPLLGUKIDCXJG-AWEZNQCLSA-N 428.536 -0.179 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 12701585 KHYRAQPWACXDES-SFHVURJKSA-N 436.494 -0.230 50 20 IBGD Cn1c(CC(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)nc2ccccc21 746326746 UMDJKCJMUUEGRQ-UHFFFAOYSA-N 431.478 -0.180 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 764226040 DUFIQHCVMYBHQE-SNVBAGLBSA-N 426.451 -0.248 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 764400337 PJFINFOEQGXWOU-JTQLQIEISA-N 426.382 -0.107 50 20 IBGD CCc1cccc(CC)c1S(=O)(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765127116 UIRNMOSDFGSCGD-UHFFFAOYSA-N 448.505 -0.432 50 20 IBGD Cc1nn(C)c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] 766648514 HAYGXVFYYUPISE-UHFFFAOYSA-N 429.437 -0.144 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 766651832 NBORHNMBNOWKKL-MRXNPFEDSA-N 439.476 -0.632 50 20 IBGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783426746 NYWUFHOVVISDAR-QGZVFWFLSA-N 446.551 -0.100 50 20 IBGD O=C(COC(=O)[C@H]1COCCN1CC(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1 801346050 MXHDUPJKMDZXNE-BXUZGUMPSA-N 447.366 -0.220 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 807381306 NNHHQCYIKZVRLF-NADMHLTPSA-N 428.493 -0.222 50 20 IBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1783933167 CTGZOJQGNGLGJA-LJQANCHMSA-N 438.554 -0.018 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1783935616 WMZNARYQOQQXGE-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984463 IZKNXJVEASCUGI-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD CC(=O)O[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C(C)C 1788479425 JRAHAICJUVKATM-BOSXTWCSSA-N 440.541 -0.073 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788637834 FKTHXNABJKNHHF-QMHWVQJVSA-N 434.873 -0.939 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1791055716 GJFJADJKQYVUKC-YGJAXBLXSA-N 434.331 -0.600 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737061 ZLYAPRPLZUOTSS-KUZCPNRJSA-N 426.282 -0.664 50 20 IBGD Cc1cc2nnc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3cccc(B(O)O)c3)C4)c(C)n2n1 1797438986 WOJRPPDCJWHSSV-BCDXTJNWSA-N 448.292 -0.013 50 20 IBGD CN1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1799118400 MREMXXVMBAZMKA-ZXFNITATSA-N 430.509 -0.770 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(O)nn1 1805267906 MWCNHIFEVLGBQT-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370690 IUKFADSAYMWWLS-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1813073251 OEAWMJWNQJJSIF-OXJNMPFZSA-N 428.497 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815069753 ZCFMSBKWEZYZHX-MNOVXSKESA-N 439.542 -0.979 50 20 IBGD O=C(Cn1cncn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815662952 QXONCUUXGZPZCE-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD COC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1826501976 WOVXLYMXBVVCPL-VIFPVBQESA-N 447.477 -0.277 50 20 IBGD O=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)=NN1 1828861976 SEHHVZUWXCJSHZ-SFHVURJKSA-N 426.282 -0.524 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830737426 HLLDYSPPAXDNOG-VQIMIIECSA-N 428.917 -0.054 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312297 KULJVRHYGGNINT-DLBZAZTESA-N 432.949 -0.691 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1835934251 RTEUZVQPRZJIBR-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD O=C([C@H](O)CCl)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1836717140 KEYMGYYOPLMDCN-APWZRJJASA-N 433.933 -0.765 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837455619 AKIYWPDHVBKKBM-CBNMVNINSA-N 447.467 -0.353 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839228571 IIYJWUQTZUSROI-OXJNMPFZSA-N 441.529 -0.383 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840140072 ODYMEFVWYRPDFX-QCBUCWTNSA-N 444.912 -0.202 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccs2)cn1C 725901939 BIKVSAWEHFKYEM-UHFFFAOYSA-N 428.496 -0.964 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOC[C@H]2CCOC2)cc1 731763405 WTZWTPFTFMAXND-HNNXBMFYSA-N 428.511 -0.001 50 20 IBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCO1 742054815 JQHGOZCVXGBDHR-QWHCGFSZSA-N 434.515 -0.080 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 748633284 SAXYTNSOPZWNDP-JTQLQIEISA-N 434.437 -0.070 50 20 IBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756656061 RGFRIIJUXRPMKL-UHFFFAOYSA-N 447.408 -0.118 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760276308 CQJRMKDLDLPMCT-JTQLQIEISA-N 426.430 -0.906 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1=O 766638858 KAEUGADEZQRZLZ-UHFFFAOYSA-N 435.784 -0.544 50 20 IBGD O=C(COC(=O)[C@@H]1COCCN1CC(F)(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 801346052 MXHDUPJKMDZXNE-FZMZJTMJSA-N 447.366 -0.220 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)C(C)(C)CO3)n(C)c1=O 810592561 NSDOCJBFSGAJFJ-UHFFFAOYSA-N 426.433 -0.435 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810971242 WBHXXFSYMCYREH-UHFFFAOYSA-N 425.467 -0.101 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1779034018 ISQPWWBZBPHCBU-VBKZILBWSA-N 427.465 -0.414 50 20 IBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccn1 1779557028 GEVDHZPBAMUHMH-OAQYLSRUSA-N 425.250 -0.473 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779814639 ZTQKDNWKICAJOF-LJQANCHMSA-N 430.657 -0.433 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC=O)C1 1780722983 JGJQCMUBRIBQID-FWCRZDEZSA-N 446.508 -0.231 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1 1782176018 UJJBTRLRCIIJBE-YRWGSWDYSA-N 435.905 -0.181 50 20 IBGD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CCN1 1782269167 BOODGIRHRHOUHQ-QXATTWAWSA-N 443.309 -0.980 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H](O)c1ccco1 1783561010 PUQPYELQXUEIGJ-OYSPMZIOSA-N 428.250 -0.714 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccn3c1)C2)c1cccc(B(O)O)c1 1795738722 CQWUTBXLZIPHRB-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cscn1 1795800275 ORNJVKVYWDHVOC-DPIQGUFMSA-N 430.490 -0.413 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12)c1cccc(B(O)O)c1 1799188363 KYORBJYWECRLHN-BJWYYQGGSA-N 447.260 -0.665 50 20 IBGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1800840006 HBTLTCZEQDHYSB-KYHPRHEASA-N 436.933 -0.101 50 20 IBGD CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1801042060 RMHKQADGOANDGK-PHXBYCTMSA-N 447.536 -0.043 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374781 NCCWOTDGOLYEDR-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cnc(O)nc3O)CC2)C1 1809978618 ZFWKNUJUHPZMCV-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1c1cccnc1 1813069802 BZFDZWYTFXYPJE-MAUKXSAKSA-N 428.497 -0.097 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819561095 CHDQWQHNOOWFKO-JTQLQIEISA-N 449.541 -0.239 50 20 IBGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829758499 JZFFQWIWHDCELX-MEDUHNTESA-N 433.918 -0.096 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731440 LMCKAFCSIRJOQT-RVEATIDJSA-N 433.889 -0.429 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831125285 LPZYHLKPWGZMAB-OAQYLSRUSA-N 447.492 -0.630 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457138 WNIALASHFBEENW-OAQYLSRUSA-N 442.476 -0.295 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1837460665 IOHCJCQTHIKCJP-GSGOXKDTSA-N 429.477 -0.445 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3c(n2)OCCO3)C1 1843313413 DRGJTBWGOSVOBH-UHFFFAOYSA-N 438.444 -0.018 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 728509519 HDTIKTAZTJJHOG-ZCFIWIBFSA-N 445.273 -0.396 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(c2ncccn2)CC1 728983825 RSVVBMKETGSERF-KRWDZBQOSA-N 445.524 -0.979 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 730778886 XYBYLGNBTXLFLO-UHFFFAOYSA-N 425.419 -0.154 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 731845312 XKEDIXFWCLERPM-UONOGXRCSA-N 430.552 -0.190 50 20 IBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)C(C)(C)C1 747960082 CTWLKYRHYMRHNQ-UHFFFAOYSA-N 426.562 -0.230 50 20 IBGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)N1CCCC1 748245074 MDGLOEMYXTXQPX-UHFFFAOYSA-N 432.549 -0.131 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 749352901 MVJCRYVVPWLPRD-ZDUSSCGKSA-N 431.490 -0.499 50 20 IBGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755599658 NMOFWESIJXXMQC-CYBMUJFWSA-N 439.494 -0.455 50 20 IBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)c1C 763840129 ISTHCUIYTKHELQ-ZDUSSCGKSA-N 431.453 -0.463 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCc2ccccc2)nc1 764231740 PRZMXKCCNJVDKZ-GFCCVEGCSA-N 435.462 -0.316 50 20 IBGD C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)NC(=O)C1CCCCC1 765728413 QMDSILHCUIACST-GFCCVEGCSA-N 447.496 -0.944 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 767353747 NXSDRUYXLVNPDA-TWKYDXJASA-N 429.429 -0.609 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 787883735 XWDSFKQAUXMKQM-NWDGAFQWSA-N 432.437 -0.022 50 20 IBGD N#CCNC(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 807551729 FEPJLHJSHDNAGN-UHFFFAOYSA-N 444.473 -0.251 50 20 IBGD O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)NNC(=O)c1cccs1 914982028 QTFSTKFYJXGCRN-UHFFFAOYSA-N 443.459 -0.020 50 20 IBGD CCS(=O)(=O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 919677815 AGLRITDEMMSLQB-UHFFFAOYSA-N 447.535 -0.778 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 920297725 DZGWFFWOJFYASH-GFCCVEGCSA-N 432.524 -0.440 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782453816 AINKZCFALZNLJP-OXQOHEQNSA-N 435.529 -0.445 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1783936277 LTGFKPPCSSFDCL-LJQANCHMSA-N 438.460 -0.401 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785151862 ALOVXWMKIYIZKQ-QURTZKIBSA-N 435.308 -0.200 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2nncn2c1 1788374566 OHZYPFXXILJPFV-WDSOQIARSA-N 449.276 -0.684 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790584871 QCKZBPWFXREGOM-WAXYHTEFSA-N 438.912 -0.221 50 20 IBGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795734554 LNUVICZIFBPUPD-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1797750471 HBYIXABXKAJJLN-WDAIWFPHSA-N 431.478 -0.759 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnc2ccccc21 1800889023 ADTJPQZRWFGEPN-MFKICJERSA-N 442.520 -0.001 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(O)cn1 1801462314 JOBKBBPHWYEDDE-DBWKPXFBSA-N 440.460 -0.768 50 20 IBGD O=C(Cn1nccn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808935341 RQUNFUUHZNCTKU-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392497 AFVUEXNIJAHWCF-MAUKXSAKSA-N 448.358 -0.194 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715421 OVSWUPPDUCPSSE-QFBILLFUSA-N 445.589 -0.555 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840149096 DPXNRCIXLXAIAV-WIXIHDJSSA-N 429.901 -0.445 50 20 IBGD CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 11293264 QFOHWKCQABLHAV-MRXNPFEDSA-N 449.441 -0.261 50 20 IBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 728383654 CSIVBILVHAFCAF-NWDGAFQWSA-N 425.463 -0.361 50 20 IBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cc3ccccn3)n[nH]c2n1 729397079 INJYMWBJOHYSTA-UHFFFAOYSA-N 430.498 -0.318 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 743292239 CPSBPLNDFCAHKS-VDERGJSUSA-N 425.401 -0.499 50 20 IBGD COc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)sc1S(N)(=O)=O 756079913 JONKHDZEEJLPLD-UHFFFAOYSA-N 437.459 -0.274 50 20 IBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1Br 756170455 WBGFYUHOEAOUPG-SNVBAGLBSA-N 430.211 -0.263 50 20 IBGD COc1cc(F)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 757673567 HXVZJKSBVNHIGX-UHFFFAOYSA-N 437.363 -0.427 50 20 IBGD COc1ncncc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 757690363 LDEZZEOMXRWAHQ-UHFFFAOYSA-N 436.450 -0.027 50 20 IBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1ccn(CCN2CCOCC2)n1 764165249 UZXXOXPUDRDGCD-MRXNPFEDSA-N 428.449 -0.695 50 20 IBGD C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764232099 RDARCSUPZKGSHX-GHMZBOCLSA-N 427.508 -0.038 50 20 IBGD COc1ccc(SCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765725423 RRJFQSQRDRVQAV-UHFFFAOYSA-N 432.462 -0.618 50 20 IBGD Cc1cc(F)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1[N+](=O)[O-] 766643036 JHTCACDXDPHTOL-UHFFFAOYSA-N 433.356 -0.749 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 771239556 AEGABUYNWMQNBR-ADLMAVQZSA-N 438.462 -0.956 50 20 IBGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784002727 KVUPQEWVLMRYHB-UHFFFAOYSA-N 446.508 -0.455 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1318289463 GBARIOOUTTWWIF-AWEZNQCLSA-N 430.552 -0.109 50 20 IBGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)ccn1 1779031801 GAKBAECPMLZEQG-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnnc1O 1779965923 DYVMIYLMZAZZAF-DYESRHJHSA-N 440.265 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1783934935 NEMRWFLTDHFEQR-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD Cc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786978696 LRQGFSNMYLWOKP-YYWHXJBOSA-N 437.305 -0.094 50 20 IBGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cs1 1794078143 FHEPXPYYXRLFPV-IVWMJMPLSA-N 444.517 -0.104 50 20 IBGD CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1Cl 1795739066 SSWOQLGROPHQSX-FVCICTRLSA-N 446.700 -0.178 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188910 ZXCLTEPLUOQBPQ-FCGDIQPGSA-N 446.265 -0.887 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800220424 GQGZVMNWFHJHIN-PHXBYCTMSA-N 431.342 -0.453 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803142734 HJLFASALVWLLQA-LHHMISFZSA-N 426.901 -0.662 50 20 IBGD O=C(Cn1ccnc1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805879447 YZRPVKKHDCWQMD-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373339 CDFIMXHQCXQGBT-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812717033 YMXRVAWDHQQZCL-ZIFCJYIRSA-N 442.944 -0.372 50 20 IBGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826800487 CRSDLHCCMUKQGG-ZIAGYGMSSA-N 425.850 -0.069 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1 1830732882 XSGYEPSVGRDYAU-KSSFIOAISA-N 429.905 -0.297 50 20 IBGD CC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833258990 MGPCGIPATGRMME-SFHVURJKSA-N 432.525 -0.359 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1835928783 ZHGPJKXKDDQRMD-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1835929322 KTENMVLFNLXLSS-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984939 CMJIXWSOHULYEF-LBPRGKRZSA-N 436.900 -0.346 50 20 IBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccs2)=NN1c1ccc(F)cc1 751209657 UDKXBUZDTGUURX-CYBMUJFWSA-N 432.437 -0.115 50 20 IBGD CC(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758051134 FHWBIEJPBGFTSB-LBPRGKRZSA-N 434.540 -0.437 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)co1 758522338 GDFKKEXPUSWZMX-UHFFFAOYSA-N 444.329 -0.030 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)n(C)c1=O 765724493 JXBJTWDZTYZABT-UHFFFAOYSA-N 439.432 -0.978 50 20 IBGD Cn1nccc1COCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 785670509 QITFCMWZKHARBA-UHFFFAOYSA-N 437.478 -0.581 50 20 IBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CSCC(=O)N1CCOCC1 856530460 FMOUGJVACWYHQW-UHFFFAOYSA-N 449.577 -0.062 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779349127 QQGOCKZBBVIZFC-NRFANRHFSA-N 448.524 -0.259 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980117 KQKYNZSYKHQDAF-VDGAXYAQSA-N 439.277 -0.566 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291024 HRTFXKZSUBMHSY-UGUYLWEFSA-N 440.545 -0.953 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1CCc2nc(O)nc(O)c2C1 1794108666 ORBIEZGOCRQYHU-IUPFNGILSA-N 440.884 -0.818 50 20 IBGD COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795132455 RSWJWZHGLPPBGJ-UXTUBLPOSA-N 433.465 -0.337 50 20 IBGD COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1795909216 VTCXVWVTSHWOOB-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1800509575 WBZYAKXVLBAKIE-FQLMCAECSA-N 446.932 -0.156 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802684095 WKDMIDZMQXBKDG-JXFKEZNVSA-N 447.540 -0.268 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ncn(C)n2)[C@@H]1c1cccnc1 1805326696 FOWFPMYSPYMGEE-QAPCUYQASA-N 428.497 -0.097 50 20 IBGD CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806943009 DOECSARDHWVFSP-PBHICJAKSA-N 439.476 -0.512 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361980 YKYSSVDAIWKBPE-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980259 RXBDYIXQISCOSW-UHFFFAOYSA-N 444.341 -0.416 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335580 FXLUHDAONQMDIA-FZMZJTMJSA-N 444.322 -0.037 50 20 IBGD O=C(O)CSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348599 RETNQKABBYFYMN-GFCCVEGCSA-N 449.319 -0.134 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1822410932 SNUVTKQXQHQHSA-CYBMUJFWSA-N 448.484 -0.673 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1830725132 FVWWFUYLXBNUKP-WIBUTAKZSA-N 440.880 -0.118 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875701 BRCQUYZLFJEWCU-AUUYWEPGSA-N 427.885 -0.291 50 20 IBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cnn1C 1834428491 JKYCTLLIWMNOSJ-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)N1CCN(C)CC1 1839105205 UOWKQTBESTZBLC-RDTXWAMCSA-N 437.368 -0.118 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840184084 RBCKADOVMGSVTK-IBGZPJMESA-N 439.538 -0.485 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184095 RJYVXEZYNJRSHY-QSFXBCCZSA-N 427.546 -0.811 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1846385817 ZQTHFKKVULMNGY-OAHLLOKOSA-N 427.502 -0.594 50 20 IBGD NC(=O)CNc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728329747 GEMHEQMGQBOSQK-INIZCTEOSA-N 428.401 -0.272 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 728509518 HDTIKTAZTJJHOG-LURJTMIESA-N 445.273 -0.396 50 20 IBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 735468582 OHSMYGGGHUJDKX-DZGCQCFKSA-N 427.502 -0.146 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cc(Cl)nc(N)n2)c1 753449827 MLIRIZFHBBVSLL-UHFFFAOYSA-N 427.874 -0.164 50 20 IBGD O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755534304 KKBLIOBAVYJYQQ-LBPRGKRZSA-N 441.491 -0.053 50 20 IBGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)Cc2ccccn2)C1=O 757627389 FLCFHNZXZRXWSV-UHFFFAOYSA-N 439.432 -0.030 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2=NO[C@@H](c3ccccc3)C2)n(C)c1=O 766638170 YTWNFOPGWPNFEY-CYBMUJFWSA-N 425.405 -0.901 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1=O 769598338 XRJLJFUMKCVIFE-UHFFFAOYSA-N 434.416 -0.380 50 20 IBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1C 785067338 LFIANCDGNZEKIU-UHFFFAOYSA-N 444.473 -0.073 50 20 IBGD CC(Cn1cccn1)=NNC(=O)C[C@H](C(=O)NN=C(C)Cn1cccn1)N1CCOCC1 814854965 BYLXSXBYFHAQNZ-GOSISDBHSA-N 443.512 -0.145 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3nc(C)cc3C)CC2)cc1 917391877 LFVTULGAHAMKNH-UHFFFAOYSA-N 448.549 -0.038 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779032658 VWRDEKMWXUYMRS-HXUWFJFHSA-N 427.465 -0.597 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1779036012 TUSCBZUWVYWAMI-OAQYLSRUSA-N 430.509 -0.386 50 20 IBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n(C)n1 1785616969 SATUNMZBDPZAHN-DZKIICNBSA-N 436.513 -0.605 50 20 IBGD Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1Cl 1789081648 STFKNSTXZPHETG-JQFCIGGWSA-N 446.700 -0.340 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc2nn[nH]c2c1 1790535182 BBDDVENQOJGUIN-KNBMTAEXSA-N 449.276 -0.455 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2cn[nH]c2cn1 1797580330 ZXIDGOILKAHKFR-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1797586689 FAJIERYNQRYZNT-JZHJWMIFSA-N 426.297 -0.123 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785147 INHHGQVGHPFLPK-UPHUGPLXSA-N 434.537 -0.352 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1801011714 XDYAFETYMIIBKV-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(N)=O)cc1)C2 1801012309 URDCKULBDBWZTR-HGKCTWBKSA-N 431.493 -0.638 50 20 IBGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)C(=O)O 1815086524 MYVMWUOBUHOMCR-CMPLNLGQSA-N 440.526 -0.509 50 20 IBGD Cc1nn[nH]c1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815936367 TTXPQVGGEMNMAI-LBPRGKRZSA-N 426.267 -0.211 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831337388 WUEXYYPBRJJNCZ-QGZVFWFLSA-N 436.603 -0.271 50 20 IBGD Cc1nscc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929474 QMVJZFPKFKNLMO-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837632126 IWSXHGYXXXEYCA-DNVCBOLYSA-N 440.884 -0.270 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nc1 1840183766 YUHPPDFJBRQJRE-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD CN1CCCn2nc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cc2C1 1843012237 RNGJIHMSVQPTDF-UHFFFAOYSA-N 437.309 -0.471 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 725871576 FBULNAMQAGNJQT-UHFFFAOYSA-N 443.869 -0.028 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)c1cccc(C(=O)NNC(=O)Cc2ccccn2)n1 729535595 ILFCJZYBBDFQKI-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n(C)c2)C1 730165899 MOSBJXOSOHBHJK-CHWSQXEVSA-N 446.551 -0.359 50 20 IBGD O=C(COC[C@@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746385744 LIZJSJWOPMVFPI-HNNXBMFYSA-N 427.479 -0.336 50 20 IBGD C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 756049792 TZCFASPWWRLOIQ-OAHLLOKOSA-N 432.481 -0.016 50 20 IBGD COc1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ncn1 757758631 JOPVSRSOUXSLSJ-UHFFFAOYSA-N 436.450 -0.027 50 20 IBGD Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 767707463 MABAGDOBENVLFS-HNNXBMFYSA-N 449.441 -0.213 50 20 IBGD Cn1cc([C@@H]2[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 797710921 ARQQZVIEBQHXGX-KCQAQPDRSA-N 440.526 -0.374 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cncn3C)CC2)cc1 807091236 IWKWWGHAKVKAKW-UHFFFAOYSA-N 434.522 -0.575 50 20 IBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 813363092 CBABSAOSWWUVDS-HNNXBMFYSA-N 426.495 -0.635 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 913416530 IKEDYDGJBPCJCF-QGZVFWFLSA-N 448.457 -0.089 50 20 IBGD COc1ccnc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1OC 1780450846 CODIRMXONPAHMV-OAQYLSRUSA-N 449.508 -0.085 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1783874624 GEJBRXDLPANTAH-PBHICJAKSA-N 437.946 -0.504 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787520938 YNHLWJFQIKFCAZ-HJWJTTGWSA-N 425.530 -0.794 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnsc1C1CC1)C2)c1ccc(B(O)O)cc1 1795734631 VQIIRTYCDLIJAN-MIFYACCESA-N 442.306 -0.388 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cnccc13)C2)c1cccc(B(O)O)c1 1795739281 YTYVFVHFCIAJSS-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c2c1CCC2 1797046377 XCMMAXIAEXZPQU-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD CCn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cc1C 1798232232 MTNDXVJSLYMMNV-ZSBFGKGUSA-N 441.492 -0.273 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798522894 ARNPUSMBKQLEPN-DBWKPXFBSA-N 445.384 -0.189 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)N1 1817470970 AUZPOJPHXPLXMD-ZBFHGGJFSA-N 425.254 -0.326 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOC1=O)CC2 1826083851 SYLZUADOBCZKOF-NSHDSACASA-N 438.510 -0.120 50 20 IBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)c(=O)nc1O 1827988697 XMVBTPLVUPQVDB-KOLCDFICSA-N 441.897 -0.074 50 20 IBGD COC(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798157 XRBMZWUGJJWETB-UHFFFAOYSA-N 431.342 -0.023 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840063353 DKMJBLCPFFJJSN-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 26070023 CCBQMNPSVMAXAW-UHFFFAOYSA-N 425.426 -0.091 50 20 IBGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CN(C)C)c1 727762972 NTUDGCFXRLHYDT-UHFFFAOYSA-N 437.316 -0.304 50 20 IBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728328613 WPTMVRMHVAANPH-WFASDCNBSA-N 441.462 -0.669 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)N[C@@H]2CCc3ccccc3C2)c(=O)n(C)c1=O 742980911 ATMURUYXFFKWAJ-CYBMUJFWSA-N 434.547 -0.376 50 20 IBGD CO[C@@](C)(C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1F 760448674 MRWQGWOFMMLYCC-LJQANCHMSA-N 432.412 -0.718 50 20 IBGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778438418 WLTJGIOGPBSMDJ-UHFFFAOYSA-N 438.485 -0.068 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)CNC(=O)c1cccs1 793335751 HCVZWWQJDBHHGE-KRWDZBQOSA-N 437.478 -0.759 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)CNC(=O)c1cccs1 793335755 HCVZWWQJDBHHGE-QGZVFWFLSA-N 437.478 -0.759 50 20 IBGD CN(C[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1)S(C)(=O)=O 805044348 OPMBHRZTUAABDF-GFCCVEGCSA-N 431.540 -0.178 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 915189221 FASCBLVSJCAFHH-UONOGXRCSA-N 447.517 -0.218 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779037156 RASFNEPXPFPUQI-NRFANRHFSA-N 439.476 -0.415 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781841384 WCJUCWXBMOLEPM-FRQCXROJSA-N 435.949 -0.959 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1783934192 BXBPYJVQQDGUBO-CVDCTZTESA-N 443.548 -0.096 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1783934398 FQBOVEWCDPVIHI-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)cc2C1 1784091912 CPARQVQCMVJKIT-PLYYQAHHSA-N 439.944 -0.088 50 20 IBGD C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(F)(F)F 1786980083 HEHGNEVCRDIHNW-ADOMEBDSSA-N 444.215 -0.727 50 20 IBGD Cc1cc(/C=C/C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)no1 1786981005 KMPFYFGVUQLMCX-WMBCKCKVSA-N 439.277 -0.030 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794036442 RUUZATVZIGDJAQ-UMPJEAMMSA-N 426.901 -0.022 50 20 IBGD CC(C)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)C 1795714246 ORFYXRKMTWCHPQ-HNJRGHQBSA-N 431.342 -0.408 50 20 IBGD Cn1ncc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)cccc21 1795738772 FQVSQLCRRWYJOE-VPTLXERWSA-N 448.288 -0.230 50 20 IBGD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796412354 JYACDRCQUMIUTB-JJAZEVLHSA-N 444.322 -0.473 50 20 IBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1797954592 XUMUZJGUSFWMOZ-FVCICTRLSA-N 435.557 -0.319 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccn3n1)C2 1801011141 HMCIQXPLMFTMIV-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD O=C(COCCO)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808600077 JVAUMPRVDREGKG-XLIONFOSSA-N 427.266 -0.910 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CN1 1825199538 VYQQEFRQBDUZRC-WCQYABFASA-N 428.279 -0.815 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826627457 LNOMYCWSULJIQV-GOSISDBHSA-N 436.339 -0.356 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732958 ZACDSSKNBNFPAA-UGSOOPFHSA-N 427.841 -0.520 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736860 WWHNVYUQGNEALO-UGSOOPFHSA-N 441.847 -0.462 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737135 CYXDMQOOXQKVNR-LPHOPBHVSA-N 428.917 -0.364 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830957567 CXFIERAHKZKEMH-QFBILLFUSA-N 428.917 -0.019 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835637354 AVTGUZHSZMTTAH-IAGOWNOFSA-N 436.340 -0.481 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837459441 PCGCEYPFSFYUGN-DYESRHJHSA-N 445.476 -0.552 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839386752 MVUQADNFUOKARN-JKDFXYPNSA-N 439.868 -0.180 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840032244 SFQQZGAIHKNBAN-YJBOKZPZSA-N 448.358 -0.052 50 20 IBGD O=C(CCn1cncn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840358559 OTDISKROLVSHKH-HIFRSBDPSA-N 434.266 -0.185 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 747613153 CPYONVOBDRBETM-LURJTMIESA-N 444.285 -0.606 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2nccn(C)c2=O)o1 747942344 SCSRXHNHPQFFNV-NSHDSACASA-N 439.450 -0.154 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 749847217 AQNAEXWWURTURO-SSDOTTSWSA-N 430.917 -0.803 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752156667 WHDLPHFEVIQGHU-JTQLQIEISA-N 446.532 -0.295 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1cccc(I)c1 758039169 IEEDZOIFJWCCGT-QMMMGPOBSA-N 425.248 -0.081 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 758046351 HOVCXPZMCRMZCQ-SECBINFHSA-N 447.470 -0.347 50 20 IBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)CN1CCC(=O)NC1=O 766660351 KPNXATLXBYRFTH-UHFFFAOYSA-N 436.900 -0.453 50 20 IBGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)CCCOC)c2ccccc2c1=O 770123563 WGSZZOFEYOZTKT-UHFFFAOYSA-N 425.467 -0.867 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 784001889 FVVNIDTVXQJSQW-UHFFFAOYSA-N 429.433 -0.372 50 20 IBGD O=C(CCNC(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)N[C@H]1CCS(=O)(=O)C1 788876565 YWAUUPHBZVJSAZ-ZOBUZTSGSA-N 438.506 -0.417 50 20 IBGD O=C(NNC(=O)c1ccc(Cl)cc1O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 918357798 PABGDINQYDJADC-JTQLQIEISA-N 428.854 -0.028 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 920212730 VFIHIQMCNLAHNH-ZDUSSCGKSA-N 446.507 -0.925 50 20 IBGD Cn1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1782585712 BZZWFWIPJXPTRM-DENIHFKCSA-N 440.309 -0.530 50 20 IBGD Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1Cl 1789081610 RHDSUQVNMGRQSJ-JQFCIGGWSA-N 446.700 -0.340 50 20 IBGD CC(C)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(C)C 1795734328 FFASRTORXPENLA-HNJRGHQBSA-N 431.342 -0.408 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(O)c1)C2)c1ccc(B(O)O)cc1 1795736928 RDFLXQIGYWCICX-OPMZPASUSA-N 438.289 -0.092 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798472952 SHQUCXSNJDIVLA-RDGPPVDQSA-N 446.265 -0.887 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798638289 CNKVKTYXFZFVLN-UMPJEAMMSA-N 432.481 -0.912 50 20 IBGD O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807599511 VBWNGKUEDGZYAM-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807800795 QAUBDXPOCZHXOT-LPHOPBHVSA-N 434.265 -0.179 50 20 IBGD O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731172 IILCCEFDWAFCPE-RDTXWAMCSA-N 426.857 -0.924 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833508717 RYECAAVUTGAQLE-SCLBCKFNSA-N 428.873 -0.191 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C(=O)O 1834822329 HVBAYCFQEIIDAY-MLGOLLRUSA-N 436.303 -0.710 50 20 IBGD Cn1ncc(Br)c1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011295 PSJULIAGPDCQIC-UHFFFAOYSA-N 447.098 -0.007 50 20 IBGD COc1ccnc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1OC 1843014468 MQCPNGYDYGAKBD-UHFFFAOYSA-N 425.250 -0.091 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848012859 GQZXJQSVZGIQIZ-UWVGGRQHSA-N 426.367 -0.084 50 20 IBGD COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1-n1nnnc1C1CC1 757620514 FZQQEBAQOQBHRN-SECBINFHSA-N 438.470 -0.361 50 20 IBGD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764234725 ZSERBJWJWBYUGB-GFCCVEGCSA-N 441.510 -0.596 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccc(C#N)c(Cl)c2)n(C)c1=O 764516888 WSAGUDCULBOTQI-UHFFFAOYSA-N 446.880 -0.023 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(N3CCOCC3)s2)n(C)c1=O 764812685 OHMSDLUDHSGNQM-UHFFFAOYSA-N 431.478 -0.518 50 20 IBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 765413424 FUEILFWUACFPAU-UHFFFAOYSA-N 444.466 -0.178 50 20 IBGD CC[S@](=O)c1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640579 UXJSJZMFPJXASL-PMERELPUSA-N 432.462 -0.978 50 20 IBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783423901 BIQGCLGINRQJIS-DNVCBOLYSA-N 438.506 -0.495 50 20 IBGD CCOC(=O)Oc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 800334707 PSXAQGFSUSQPCT-UHFFFAOYSA-N 444.404 -0.570 50 20 IBGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nnn1-c1ccn(C)n1 814575876 SSVJUZODSYAMLK-CQSZACIVSA-N 441.404 -0.547 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2NC(=O)C2CC2)n(C)c1=O 815827330 VBNMQJMEWGAXPU-UHFFFAOYSA-N 439.432 -0.757 50 20 IBGD O=C(CNS(=O)(=O)c1cccc(F)c1)NNC(=O)c1csc(N2CCOCC2)n1 912852244 WXUIUVKAKRQRDK-UHFFFAOYSA-N 443.482 -0.142 50 20 IBGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116176942 NQCHXSCLANVSOH-XJBGLIRHSA-N 442.476 -0.609 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778011219 JEUYDMQIBYFPSS-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779031576 BOHUTMBXFOOTEL-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782215180 XJKLJVRGGTVYPK-CBGDNZLLSA-N 449.556 -0.199 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782707003 DAJBVYLONLGEPX-RNODOKPDSA-N 449.464 -0.310 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ccncc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984511 NNNJRBPOBPFWMC-FNHZYXHNSA-N 449.276 -0.455 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1791293183 MWILZASYLOMYSY-SZMVWBNQSA-N 432.525 -0.238 50 20 IBGD Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791693084 NYISBXHKESTJGT-IEZWGBDMSA-N 439.277 -0.819 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1ccc(B(O)O)cc1 1795735818 FSSFSPXSZWJXGY-XCCSTKFXSA-N 429.051 -0.740 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799352043 JKJJRRLTJIIEHF-AOVDCTNGSA-N 425.251 -0.118 50 20 IBGD O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808935339 RQUNFUUHZNCTKU-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1822414276 QFPUISLTQREPGP-GXTWGEPZSA-N 436.517 -0.632 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830538850 RSIZQZRHDCJHSQ-IIYDPXPESA-N 449.346 -0.079 50 20 IBGD CC(C)(O)CC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834573449 KXJGNUDTGCJITQ-UHFFFAOYSA-N 431.342 -0.287 50 20 IBGD O=C(C1=COCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939656 CVXIKPVKEYQHHE-OAQYLSRUSA-N 430.266 -0.869 50 20 IBGD O=C(Cc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836154482 NNCCBBIRSZTSJT-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD O=C(Cc1cnc[nH]1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919435 RMNUSLWLYOUUNK-UHFFFAOYSA-N 440.309 -0.056 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205325 DEPXMOVAZKYXAA-BXUZGUMPSA-N 425.707 -0.030 50 20 IBGD CS(=O)(=O)CCNC(=S)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 729157446 VWMGYVQEYHURSZ-UHFFFAOYSA-N 442.544 -0.112 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 756204733 IZTAQYYIMBWWPG-LLVKDONJSA-N 449.555 -0.005 50 20 IBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCSC1 763378208 CKSUBFTXXNLXOG-OAHLLOKOSA-N 442.563 -0.094 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C[C@H](C)O1 764210697 FTNTXATYOXPIOU-STQMWFEESA-N 441.510 -0.868 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 771971903 RCBQTGBCSKRFOI-VXGBXAGGSA-N 442.494 -0.456 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1nn(-c2ccccc2)cc1O 914830483 AWAYNSMOKZBDGV-TZMCWYRMSA-N 447.473 -0.626 50 20 IBGD COc1ccc2c(c1)C(=NNC(=O)C(=O)NN=C1C(=O)Nc3ccc(OC)cc31)C(=O)N2 916266474 WWQLTIVMESIFDS-UHFFFAOYSA-N 436.384 -0.051 50 20 IBGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1785809888 PMAJJZCKHUDAAC-IEZWGBDMSA-N 439.277 -0.323 50 20 IBGD CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786817964 LEAHSXAPDQYPJX-FGPFUNDFSA-N 432.525 -0.348 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1791291214 PQBNUAYMPJWAOS-UGCZWRCOSA-N 435.569 -0.321 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2cnccc2n1 1796891182 PQEZCYXPAQLLEM-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD CC(C)n1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797750620 NFVBBRDIDPFILY-YWVIFJGQSA-N 442.480 -0.626 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCOC1=O)C2 1798440730 XEDRVYAOUQNFOU-BTTYYORXSA-N 430.465 -0.221 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800181419 XTVKPNJYNUPJLY-VTEUUUEMSA-N 434.497 -0.923 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012089 BQGSUBYTQHAPBH-IHSNIMORSA-N 433.509 -0.189 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)N1 1817470966 AUZPOJPHXPLXMD-GDBMZVCRSA-N 425.254 -0.326 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840183833 CGAYLFZFYRPYIO-OAQYLSRUSA-N 433.509 -0.547 50 20 IBGD Cc1cc2nnc(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)c(C)n2n1 1843698545 CBCYKSNQRDXLIN-UHFFFAOYSA-N 428.497 -0.069 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=S)NCCc2cccs2)n(C)c1=O 11419271 GXXPZBDBUGPGGH-UHFFFAOYSA-N 435.535 -0.377 50 20 IBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 751282441 LPZSPKGTJLCVAO-UHFFFAOYSA-N 442.475 -0.540 50 20 IBGD O=C(NNC(=O)c1ccc[nH]1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755534299 KKBLIOBAVYJYQQ-GFCCVEGCSA-N 441.491 -0.053 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@@H]1CCCS(=O)(=O)C1 758651418 USNKBWAFDXBKQT-CQSZACIVSA-N 444.535 -0.008 50 20 IBGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 758713497 URYTTXMGKVHCCL-UHFFFAOYSA-N 449.468 -0.570 50 20 IBGD Cc1ccc([C@@H](C)[C@@H](O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765177582 SSWPZKXNSFTGSY-MLGOLLRUSA-N 428.449 -0.946 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 769650894 OPTSRODVWUYDIG-SNVBAGLBSA-N 436.437 -0.670 50 20 IBGD Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(=O)c1 790695607 ZCUAPHLERBQEBC-IBGZPJMESA-N 432.389 -0.180 50 20 IBGD CN(Cc1ccccc1S(N)(=O)=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 814270392 IKHYVMSELVZQSB-UHFFFAOYSA-N 430.450 -0.204 50 20 IBGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691092 FGFIUJVHJPKQOB-GFCCVEGCSA-N 438.452 -0.139 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC=O)C2 1778092443 BSICDTAFMLITIZ-BNMXHOPLSA-N 446.508 -0.231 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1778357284 UUZOCWZMPIMMKI-WBVHZDCISA-N 449.321 -0.329 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1792870585 GPHJCYBVTHREQU-SSZWKKLZSA-N 434.331 -0.742 50 20 IBGD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737279 OCERRPRHXYPURR-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825215731 FNBVNELTYJMEID-YGRLFVJLSA-N 430.295 -0.427 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830046616 FPRBXRHUAGUSRQ-SWLSCSKDSA-N 439.282 -0.596 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1 1835738011 QBYJBUCYTFFJJO-UHFFFAOYSA-N 442.480 -0.433 50 20 IBGD O=C(Cc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935717 NRMLACZWROTJLL-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652061 YVEIONYTGDEQFK-KXBFYZLASA-N 442.900 -0.175 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381661 QBDRXDVXOSHJPT-WBMJQRKESA-N 433.918 -0.393 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840450190 VHOUWCQMITUEFM-ZSZQSSIHSA-N 427.885 -0.095 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840598934 ATLDIGHTKAHBFF-QPDBELLOSA-N 429.477 -0.445 50 20 IBGD CCCCNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755533592 BXBNNVWVOLIROT-NSHDSACASA-N 435.528 -0.145 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)co1 758513902 WFPPWXQEONBTTJ-UHFFFAOYSA-N 430.302 -0.372 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2O)c2ccccc2O1 764278135 SGMULNAVHIWNBA-INIZCTEOSA-N 428.401 -0.541 50 20 IBGD CN1CCC(N(C)c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 784003000 OKCGSIJNOHZLEA-UHFFFAOYSA-N 430.509 -0.075 50 20 IBGD COc1ccc2[nH]c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2c1 787127898 WHMVYTJQMLJUEK-UHFFFAOYSA-N 425.405 -0.615 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816886101 PLTUNAGHVOJHGS-CHWSQXEVSA-N 435.485 -0.496 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)n1 818360492 YWIOINCYGPGVET-UHFFFAOYSA-N 429.510 -0.360 50 20 IBGD COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1317767324 AIAWEECRIWINHD-UHFFFAOYSA-N 432.458 -0.110 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781324882 DJJVAURYRMNONR-JTNHKYCSSA-N 444.323 -0.165 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331522 RDSXXWXREAUFMC-PWSUYJOCSA-N 432.183 -0.768 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1782757835 MBXQYMNKXJWVMF-RKRZWIQWSA-N 442.480 -0.197 50 20 IBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccn1 1784520030 JLMXCIDMMQRKGM-VBKZILBWSA-N 427.465 -0.414 50 20 IBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786789362 ZZVCIPXISPFQRD-AVGNSLFASA-N 425.850 -0.044 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1791291210 PQBNUAYMPJWAOS-SGYMCOKNSA-N 435.569 -0.321 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1791291512 XQGCMSGBLNSLRV-AVGNSLFASA-N 437.457 -0.716 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791809341 XPSBNUROELCHOL-VMXMFDLUSA-N 443.353 -0.168 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C(F)F)n1 1798162759 YPBBLAPGOVFZMV-QHBPRCKVSA-N 449.418 -0.206 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CN1 1817475092 KUAIYCJEBWRKHG-RHSMWYFYSA-N 439.281 -0.078 50 20 IBGD O=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)=NN1 1827051798 FTUJLPVKLDMOQO-GOSISDBHSA-N 426.282 -0.524 50 20 IBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)c(=O)nc1O 1827988698 XMVBTPLVUPQVDB-MWLCHTKSSA-N 441.897 -0.074 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829713974 VYEYXPFFUDCYKC-IBGZPJMESA-N 438.293 -0.003 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830338093 FQEHFPPTCSPBJW-VQIMIIECSA-N 428.869 -0.173 50 20 IBGD COCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835231728 FPUPKMQMCQNWBM-INKLHFNDSA-N 435.481 -0.387 50 20 IBGD O=C(c1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931014 CNNUPQYMRAWCOF-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1837591900 SWGKNBOFQPKFLU-HXUWFJFHSA-N 436.513 -0.910 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837632130 IWSXHGYXXXEYCA-KXBFYZLASA-N 440.884 -0.270 50 20 IBGD CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921592 REPHJZZRDBCOHW-UHFFFAOYSA-N 445.325 -0.495 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840152180 AMLIHCXJPXWRFM-SJCJKPOMSA-N 430.845 -0.788 50 20 IBGD C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1(F)F 1840825951 XIXXBXKZBRILHB-OALUTQOASA-N 438.236 -0.518 50 20 IBGD O=C(CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)NNC(=O)C1CC1 733194628 DTMGORBXHQFBNC-UHFFFAOYSA-N 438.506 -0.288 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnc2c1c(=O)n(C)c(=O)n2C 747719610 VOSOMRKOPNIQKA-CQSZACIVSA-N 425.401 -0.458 50 20 IBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNc2nccn(C)c2=O)cc1 747941649 ACUFFHNDQCGWOI-UHFFFAOYSA-N 439.494 -0.179 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCC1 748247710 UXNBBYGJYUVRFZ-CYBMUJFWSA-N 426.470 -0.004 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cn2cc(Br)cn2)on1 758054793 OAWVSLUOKSKBTK-SSDOTTSWSA-N 435.260 -0.619 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1C 766250874 VUVXTNWICAQRJH-KGLIPLIRSA-N 444.579 -0.845 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1N1CCCCC1=O 783999565 PYVODNUKIFFAIJ-UHFFFAOYSA-N 431.449 -0.080 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1321848165 CVQQCKLYDCELJS-UHFFFAOYSA-N 447.558 -0.043 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1779034054 KNWKSMBHQKLOLD-VTJXTGGHSA-N 431.493 -0.320 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1782175365 JPNLNRKVWSWXFY-BUIAKZPTSA-N 433.933 -0.595 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785625173 AYGYSEDXSUBLEG-KPZWWZAWSA-N 447.920 -0.383 50 20 IBGD Cc1ccn(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984838 OXBAXYMIWKQRNX-WDSOQIARSA-N 425.294 -0.080 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787493510 YIEAXZCOAZCWJE-LVTVNPDKSA-N 432.930 -0.632 50 20 IBGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788817832 WPXNZDLPTNXPKO-JQFCIGGWSA-N 441.492 -0.068 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1807365197 SNCAHLALAKFHNZ-ILZDJORESA-N 436.277 -0.640 50 20 IBGD O=C(CCn1cncn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813317354 MVJPKIYUKWTYKH-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1831640485 MOQWXERVLIEGCY-UGSOOPFHSA-N 430.889 -0.598 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833496639 DYFQZNSJWUQRAT-KKSFZXQISA-N 445.369 -0.041 50 20 IBGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834132277 HVHUVIVXHJBQRQ-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836748906 NRSCUCYOEPYECE-WVBUVRCRSA-N 430.310 -0.127 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)N1 1837781737 UFWLEVGVHQUHCC-LJQANCHMSA-N 443.309 -0.743 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839126137 KAFNYETZGBPLER-JTSKRJEESA-N 428.294 -0.207 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201676 FNQNHZFIYLUYHY-NORZTCDRSA-N 436.278 -0.246 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012987 WZZAJXGUYFGVQE-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 728384862 QMXYOLKZVHGBSR-BBATYDOGSA-N 438.462 -0.956 50 20 IBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OCC(=O)O 730571768 TWOHJSJFEVXQHY-UHFFFAOYSA-N 437.434 -0.807 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 758514011 XRPOPFKXDFBMHY-UHFFFAOYSA-N 427.302 -0.831 50 20 IBGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 763829184 CDTRBKCBKQSOMG-UHFFFAOYSA-N 428.449 -0.296 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 764228200 VPPKJBCEZSPDCQ-UPJWGTAASA-N 441.510 -0.676 50 20 IBGD Cc1cccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Cl 764378704 MHZATGBEVRHQBG-UHFFFAOYSA-N 447.839 -0.818 50 20 IBGD CN(C)N(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 786761719 QFVMJEDODJWUEW-FZMZJTMJSA-N 430.914 -0.194 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2)CCN1 812980460 WACNDMYTXXMNDC-UHFFFAOYSA-N 440.416 -0.074 50 20 IBGD O=C(NNC(=O)[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 814521011 AUWVHELCHUPUNR-TZMCWYRMSA-N 446.507 -0.516 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1778859418 LYIGJEDDYRBPQG-HBBPJZECSA-N 442.520 -0.531 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)c(=O)nc1O 1779299856 GBKWJCPAXXBZCE-LJQANCHMSA-N 438.557 -0.061 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415527 FJFLIOPYUAQXAH-LJQANCHMSA-N 428.210 -0.640 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)[C@H](F)Br 1780771237 XQHDXKDZRDYQAW-AKWBHNSASA-N 449.277 -0.257 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782711340 FETSWUODCWQATD-LIRRHRJNSA-N 428.486 -0.249 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1783935234 RNSNMANAWRKJNK-OAQYLSRUSA-N 431.493 -0.398 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc2[nH]ncc2c1 1788272576 YCZWBWFVFGALRV-JVPBZIDWSA-N 449.276 -0.455 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)ccc21 1792978421 VCQSDKHAOPDZKV-DLTLXFJOSA-N 436.896 -0.320 50 20 IBGD CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793253678 AYRMROFYGRVBIT-HBCWATKFSA-N 446.508 -0.805 50 20 IBGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737214 FGTYEEGVTDSRIJ-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nn1C 1798320545 JJSZOBSYUARXLM-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD CCOC(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)OCC 1801146051 LYRDLSRAISTJHI-HBCWATKFSA-N 449.508 -0.323 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1802338879 YTTXGRUGDLKIJV-AHXJXLJNSA-N 441.529 -0.159 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803142951 OZMMRDVMRYEQID-XYPHTWIQSA-N 446.895 -0.001 50 20 IBGD COC[C@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822029898 WFYZRDLZZUWVME-ZFWWWQNUSA-N 431.921 -0.058 50 20 IBGD COC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822621120 FORBYAOHWMTMAR-OAHLLOKOSA-N 429.242 -0.249 50 20 IBGD Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834214644 BFDYZUBWANRBPN-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837715856 NHJPIJXQDWEICZ-LJQANCHMSA-N 438.557 -0.449 50 20 IBGD CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054043 CTZTYPMSNRBKSY-OAQYLSRUSA-N 433.509 -0.191 50 20 IBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840203835 WLSRCMJGUKCBSZ-ZDUSSCGKSA-N 436.214 -0.075 50 20 IBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1 732994592 OTFPTFMUMZVYMZ-UHFFFAOYSA-N 432.934 -0.069 50 20 IBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 742035083 XYSUKWZVQFPTED-UHFFFAOYSA-N 432.524 -0.440 50 20 IBGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 745860350 QAIJXYKHKGTELT-OAHLLOKOSA-N 440.570 -0.236 50 20 IBGD O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1F 751267119 DBHXMTSXGQKCGE-SNVBAGLBSA-N 438.455 -0.187 50 20 IBGD C[C@@]1(CCCC(=O)N2CCN(S(=O)(=O)CBr)CC2)NC(=O)NC1=O 758517967 MOFXALXVHJXPPT-ZDUSSCGKSA-N 425.305 -0.419 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1ccccc1F 764232092 RAMDGZRQZHMNPO-VIFPVBQESA-N 426.430 -0.657 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771270772 UPQVEKOISJYVSO-FQEVSTJZSA-N 433.465 -0.086 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780388526 CKCAEKSNOSWWSV-UHFFFAOYSA-N 432.524 -0.258 50 20 IBGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 792082400 CIYOZJHHHHWVNM-BONVTDFDSA-N 426.451 -0.286 50 20 IBGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 792824216 ZDBDQVHENPLABK-UHFFFAOYSA-N 429.462 -0.084 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 913025833 DZQOQBQEYAKPGT-UHFFFAOYSA-N 437.478 -0.197 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778691483 DYONVHZNPZTCRJ-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD COc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028739 OMVJXPUWOPEVAN-HXUWFJFHSA-N 441.448 -0.759 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1779036010 TUSCBZUWVYWAMI-NRFANRHFSA-N 430.509 -0.386 50 20 IBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780154226 CMOYFKUURPRZAX-OXJNMPFZSA-N 440.880 -0.121 50 20 IBGD C/C(=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2)C(=O)O 1783155527 XNZMXBNRQNWFMH-IVOIJLBOSA-N 445.476 -0.157 50 20 IBGD Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cc1O 1785594322 LPKWRSWZGCNIGB-PJODQICGSA-N 443.464 -0.969 50 20 IBGD Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1F 1785776149 HNCKVEKNNFTDJJ-XIRDDKMYSA-N 444.272 -0.545 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1791255417 QQBMXGSBKJJMRN-AYDFFVQHSA-N 442.900 -0.054 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2)c1cccc(B(O)O)c1 1795738999 PLWVEAKEICWCBA-CWPLJXCYSA-N 438.245 -0.388 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740513 DFIOYGYMPIFFMU-OCVGTWLNSA-N 439.115 -0.257 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2ccnc12 1797454638 DENPEXMHLQHZFK-ZSBFGKGUSA-N 449.471 -0.150 50 20 IBGD Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804743272 FNDWALSKJSIYGM-LPHOPBHVSA-N 434.265 -0.477 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1813073301 KSXZMGXSLVLKKO-IFXJQAMLSA-N 429.481 -0.664 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1830358450 NVGIQLRCLLMCFK-GOSISDBHSA-N 430.889 -0.740 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=CCCS1)CCO2 1831560857 RRDNUHZJSVAKBX-LJQANCHMSA-N 426.539 -0.163 50 20 IBGD CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)COC1 1833140163 FSXUPKSVNJIOJF-UHFFFAOYSA-N 444.536 -0.093 50 20 IBGD Cn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929516 SSGASRODXKWVOL-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1840184757 FQZJUTFQGMGGCF-IBGZPJMESA-N 425.461 -0.403 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840244276 AEDUTISPDNGHNO-SNRMKQJTSA-N 440.664 -0.639 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cccc1 1840351304 RXJAVUDOCUZIAU-VGSWGCGISA-N 441.293 -0.501 50 20 IBGD O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)NCc1ccco1 1843014203 KNFFWKMDNAWLBY-BQYQJAHWSA-N 437.261 -0.351 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1843417083 UGJFOXBUBQHKLT-PPRFWAEMSA-N 433.465 -0.060 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 738506928 DJLNKLHJYDZOOS-UHFFFAOYSA-N 426.433 -0.178 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746290889 ALXMGIFKYZQYOY-MRXNPFEDSA-N 444.492 -0.012 50 20 IBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)c1 758032150 ZVUUDTPWZILAGH-QWRGUYRKSA-N 428.467 -0.858 50 20 IBGD CCCCS(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 760690835 RNWFJQFWTZFCLB-CQSZACIVSA-N 429.451 -0.764 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1C 763675305 USHUXNGSPULIHJ-UHFFFAOYSA-N 445.457 -0.060 50 20 IBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3cccnc3)C2=O)cc1 763818715 NTZOPCBXIWOTLT-NRFANRHFSA-N 438.444 -0.266 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c[nH]c(C)cc3=O)CC2)cc1 766635816 FZUXPFLBDQGBHN-UHFFFAOYSA-N 447.517 -0.241 50 20 IBGD CS(=O)(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)o1 777833642 YBBZARIQUJYXDH-UHFFFAOYSA-N 444.329 -0.231 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)CCN1 812980573 WTTLKZCMROKFTF-UHFFFAOYSA-N 439.428 -0.253 50 20 IBGD CCn1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1C 1779716048 DLQKUDNQJJAMJT-NRFANRHFSA-N 426.282 -0.351 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782176013 UJJBTRLRCIIJBE-ACXGAUJLSA-N 435.905 -0.181 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783880073 BEPMRVLEVYJYFJ-FZKQIMNGSA-N 442.856 -0.160 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1783934391 FQBOVEWCDPVIHI-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1783967752 KVDLRKOJOOUMTQ-PEDHHIEDSA-N 433.347 -0.410 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1791289411 XWYMFRYBJAVUQV-BZSNNMDCSA-N 439.557 -0.939 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 1791291042 XUTOPYZBRIARGS-ZOBUZTSGSA-N 449.556 -0.001 50 20 IBGD CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795184881 HSJSTJMJVOVYBT-RMFSNUHRSA-N 446.552 -0.516 50 20 IBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccn1 1795740179 ALEDXJYGTAEFMH-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797750684 NTOIXGHBDWDDSK-QHBPRCKVSA-N 440.298 -0.327 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(Cl)ccn1 1798049219 YEQGRNBTLUWPIH-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)N1 1807371056 OYUCZQRKGQHQDI-ILZDJORESA-N 436.277 -0.640 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1[C@H]3COC[C@H]31)CC2)c1ccc(B(O)O)cc1 1815347590 FTLMFSQULIZLLM-SZOQZIPDSA-N 427.291 -0.059 50 20 IBGD O=C(CN1CCOC1=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350371 SYNHMVSGIASNDN-CYBMUJFWSA-N 444.278 -0.499 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830539005 YHVXRUWARHKJQD-CZUORRHYSA-N 430.303 -0.235 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831914734 CCEWWVRLGABZQX-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478510 NSRBRSMWZRQUKZ-SCLBCKFNSA-N 429.857 -0.591 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1835933742 BYJSUPMLORRZNH-CBNMVNINSA-N 432.257 -0.671 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2)C(=O)O 1840031791 CGFSCPZLQWUQIE-OZVIIMIRSA-N 436.303 -0.711 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184093 RJYVXEZYNJRSHY-CVAIRZPRSA-N 427.546 -0.811 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840587628 FDNSXJKXWHSGFS-HTAPYJJXSA-N 446.309 -0.747 50 20 IBGD CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841984938 CMJIXWSOHULYEF-GFCCVEGCSA-N 436.900 -0.346 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)n(C)c1=O 28793445 KLXDHEKNADZYEG-UHFFFAOYSA-N 437.416 -0.060 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 726614515 VIWMRRBGIWXTJU-UHFFFAOYSA-N 426.373 -0.465 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 740812366 FZSKYYFPSGASEC-UHFFFAOYSA-N 432.524 -0.159 50 20 IBGD O=C(Cn1nc2ccccn2c1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620578 IDPTXAOVJAVIHW-UHFFFAOYSA-N 432.462 -0.340 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)o1 746393047 VZQVQSXRUWBHQZ-UONOGXRCSA-N 440.522 -0.082 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c2ccccc2O1 763659446 OELSCOYGIYIWBY-KRWDZBQOSA-N 442.428 -0.238 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 763674181 NLBUJCMJLYBGNT-UHFFFAOYSA-N 445.457 -0.027 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1C 764154129 OGMFQVVZPCHKFW-OAHLLOKOSA-N 432.458 -0.007 50 20 IBGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764428486 ILALZTXWZWWYHU-NSHDSACASA-N 449.201 -0.199 50 20 IBGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)CNC(=O)c1ccco1 765383139 PPDYHRWHRAVKJJ-UHFFFAOYSA-N 428.449 -0.319 50 20 IBGD CCO[C@@H](C)c1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765726801 GHSWPPJCBBUELZ-VIFPVBQESA-N 435.466 -0.551 50 20 IBGD COC(=O)C1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 768276290 PAOFNIDQKXWBQA-UHFFFAOYSA-N 438.506 -0.598 50 20 IBGD CN(C)N(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 786761718 QFVMJEDODJWUEW-BXUZGUMPSA-N 430.914 -0.194 50 20 IBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3ccc(-n4ccnc4)nn3)CC2=O)c1 804956596 UUYNRKOMSUKBHD-LBPRGKRZSA-N 442.461 -0.194 50 20 IBGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 807005623 FIBYKMKRBDVIHB-UHFFFAOYSA-N 447.473 -0.360 50 20 IBGD CC(=O)Nc1ncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 808069429 VWAKNDJHUUIYNF-UHFFFAOYSA-N 447.520 -0.025 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 808770194 NYZGIOZSMZGYEK-ZDUSSCGKSA-N 429.568 -0.065 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 811695238 BANMTBCMIVZRNJ-UHFFFAOYSA-N 438.256 -0.170 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 814722449 ZQJQAPHIJVVTFG-GASCZTMLSA-N 434.474 -0.351 50 20 IBGD CN(CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 816509702 ZCXLYKSGWCBNAO-UONOGXRCSA-N 432.543 -0.100 50 20 IBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)O1 1320617913 LDABDPIMZGYCRZ-DGCLKSJQSA-N 426.499 -0.441 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1779028463 MCFRWSCAAWBQGC-HXUWFJFHSA-N 427.465 -0.516 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029217 OBFAJKUPFAFHTR-RBZFPXEDSA-N 432.481 -0.957 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779429252 HSAALDZYUHFDFN-IBGZPJMESA-N 430.657 -0.433 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325263 AWMYUIFYKFMWPT-GDBMZVCRSA-N 432.246 -0.178 50 20 IBGD CCC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)COC1 1781644726 WTLWLIIISLEIHY-XMSQKQJNSA-N 430.310 -0.080 50 20 IBGD C[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CN(C)NC(=O)NCc3ccccc3)CCO2)C1 1783522091 WOCZORUVEBKOJA-KKSFZXQISA-N 433.509 -0.457 50 20 IBGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784642309 PUHYSHVCQPHCGL-WDSOQIARSA-N 445.325 -0.878 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)c1cccc(B(O)O)c1 1786984835 OSVWEZFRLQYSPP-MXAVVETBSA-N 443.078 -0.350 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)on1 1788610740 SANLUFWAOIZPJZ-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1792565984 MYKNPMWUQDLRGJ-BNHNOLAQSA-N 426.477 -0.205 50 20 IBGD C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879252 SLTUUAZNPULFPY-NIFZNCRKSA-N 446.932 -0.157 50 20 IBGD COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 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CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2S1(=O)=O 917924941 FTZYAKUPQCAZSQ-UHFFFAOYSA-N 441.429 -0.099 50 20 IBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1cccs1 1115836789 BKKPWYPXIKDJKF-MNOVXSKESA-N 429.476 -0.912 50 20 IBGD O=C(NNc1nccc(N2CCOCC2)n1)c1ccc(S(=O)(=O)N2CCOCC2)o1 1116286891 ZVZOLNWTXFMSKM-UHFFFAOYSA-N 438.466 -0.316 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccncc1O 1779615911 HZFDMDOVCDFFCQ-DENIHFKCSA-N 439.277 -0.092 50 20 IBGD O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786791125 ISKANNQVWXBXLM-GMOBBJLQSA-N 446.210 -0.619 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21 1791292998 DZIRIRWFUGXCIQ-DRMAHVMPSA-N 446.552 -0.133 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cn1 1794990097 KZEPDWXUWCGPOH-DPIQGUFMSA-N 426.433 -0.697 50 20 IBGD Cc1ccccc1NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737589 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443.464 -0.595 50 20 IBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 920384896 RSPFFYMYWQYJMQ-HNNXBMFYSA-N 443.551 -0.509 50 20 IBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920425312 XWLFOENZLQGYPA-CQSZACIVSA-N 440.522 -0.298 50 20 IBGD Cc1nnsc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778239440 ZLCWNLMDPWEHCR-OXQOHEQNSA-N 444.322 -0.032 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778551613 GTUDEVQSCUQFIQ-NRFANRHFSA-N 440.265 -0.897 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783871542 SWMSRPGVCJDNHB-WWGRRREGSA-N 425.935 -0.602 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785442053 AWDSHJWATIKBKG-RXVVDRJESA-N 431.298 -0.885 50 20 IBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978607 IKMNKIXDONFXST-XLWJZTARSA-N 449.932 -0.549 50 20 IBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)(C)C 1793195443 YVMYIYOODHHFFM-NBMJBFSESA-N 445.325 -0.880 50 20 IBGD Cc1ccn(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752776 GVFOOOXPNKSVBK-XOIINTDNSA-N 426.477 -0.151 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361984 YKYSSVDAIWKBPE-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cnnn1 1807373968 GWNIZGGNNOFHLS-DKSSEZFCSA-N 449.280 -0.671 50 20 IBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cnnn1 1815361517 IISWABJSPULHBE-GXFFZTMASA-N 441.282 -0.704 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)N1 1826533098 NKRBXXLEVNZYOO-RBUKOAKNSA-N 427.310 -0.122 50 20 IBGD O=C(Cn1cnnn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055396 YGGITIISGFONPN-GOSISDBHSA-N 426.286 -0.714 50 20 IBGD N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728929 ZASXOYLSMKQJMI-ZQIUZPCESA-N 432.930 -0.931 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1835930942 APNFCGQMZXPMKN-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461235 QIGNZBBTHOJHES-OAQYLSRUSA-N 429.477 -0.441 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409919 LEGZYRWIXMXVDY-KDOFPFPSSA-N 428.873 -0.434 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)nc1 735584468 UPSJEAMZDAHUKB-AWEZNQCLSA-N 436.498 -0.067 50 20 IBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 735840945 QTNDDKAHMZVRSJ-UHFFFAOYSA-N 446.551 -0.096 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 762738217 QSGTYLHJXIRZRD-UHFFFAOYSA-N 432.506 -0.298 50 20 IBGD CC(C)(O)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 768247857 OCJYGIHKXUUHLE-TZIYXEQSSA-N 447.535 -0.702 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)C(=O)NC(C)C)c1 787865301 WSXKCTNBURNAAG-UHFFFAOYSA-N 441.510 -0.881 50 20 IBGD O=C(COC(=O)CN1C(=O)COc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 806789864 CACYFCSHDNBGID-QGZVFWFLSA-N 441.396 -0.057 50 20 IBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 816810502 NVHPXIFSZOVCSY-UHFFFAOYSA-N 441.491 -0.637 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 817053182 GZVRCASEVGWKMM-OLZOCXBDSA-N 444.535 -0.584 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778243932 SLYCKENIBPOXKI-NZQKXSOJSA-N 436.273 -0.186 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCOC1)C2 1779374832 FMUAYMDKQYHNRZ-AVBTWRTFSA-N 431.493 -0.151 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782587493 HUNGRJYLQPZCCO-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@H]2COC[C@H]21 1782798441 KYKPIPWOZZWGPI-GOYZHWMFSA-N 428.294 -0.614 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1783935712 YDUWQDDWSNXSCM-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(O)cn1 1786273784 GHURJDSMIUKXKK-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792871428 YGLZNHMUEROQBJ-HNRZYHPDSA-N 436.303 -0.329 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793945148 IHKYVJUBXFRWJR-FBUUZDRASA-N 431.287 -0.652 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1796439662 VGYCFUUWIVMBQU-FAMUFBACSA-N 443.464 -0.356 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803138783 FCRCIFXUVNSTHA-CORIIIEPSA-N 446.855 -0.873 50 20 IBGD CC(=O)NCCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348613 SDHWHSMEFIUXHE-AWEZNQCLSA-N 430.295 -0.425 50 20 IBGD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)o1 1815488120 XPPOOPJWHOGSPZ-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1cc[n+]([O-])cc1 1821048040 VFTDEWGOFNHWLJ-HNNXBMFYSA-N 438.274 -0.004 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832380425 LIMHDGYBTOHYDA-ACJLOTCBSA-N 430.889 -0.695 50 20 IBGD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)[nH]1 1833578964 JWXSRSHWPKCJJN-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD COC(OC)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836791229 SKGBTFJVMZUAKK-UHFFFAOYSA-N 428.530 -0.023 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664732 FTZWYJASBTYUMU-SUMWQHHRSA-N 443.298 -0.517 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844624609 UAPNWKJJYKWUNN-UHFFFAOYSA-N 438.274 -0.433 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 728369603 NQYXVQYNGNXHTF-ZFWWWQNUSA-N 429.520 -0.270 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 729277039 RXJVFFZGVYKZGM-AWEZNQCLSA-N 440.522 -0.221 50 20 IBGD Cn1cc(C(=O)NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 735446030 PTUJPDJXGZOUQW-UHFFFAOYSA-N 448.505 -0.506 50 20 IBGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755599659 NMOFWESIJXXMQC-ZDUSSCGKSA-N 439.494 -0.455 50 20 IBGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)Cc3ccncc3)cn2)CC1 756550830 SQWMMRMYLGBLSN-UHFFFAOYSA-N 433.494 -0.046 50 20 IBGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 756704507 GOSHEZUIAOEMKX-LLVKDONJSA-N 441.491 -0.137 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cn1nc(C)cc1C)CC2 763881980 RSVAPOZSNACXLE-UHFFFAOYSA-N 448.505 -0.465 50 20 IBGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764435417 UXEFQAORZWTPOV-RISCZKNCSA-N 428.467 -0.735 50 20 IBGD CC(=O)Nc1ccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764517126 ZCHQCSIULJAPOF-UHFFFAOYSA-N 444.477 -0.590 50 20 IBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785061157 UFQBJUXQJRXLGY-UHFFFAOYSA-N 444.473 -0.121 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786371881 RZUVHIIGDDIDNI-KNCCTNLNSA-N 440.412 -0.585 50 20 IBGD O=C(COC(=O)[C@@H]1COCCN1CC(F)F)NNC(=O)[C@H]1COc2ccccc2O1 786953258 YGIWCIREGZUPEN-SMDDNHRTSA-N 429.376 -0.517 50 20 IBGD O=C(CN1CCC[C@@H](N2CCCS2(=O)=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 789369762 CDHCZTOHLLNIJA-OAHLLOKOSA-N 425.467 -0.144 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3([S@@](C)=O)CCC3)nc2)CC1 798121202 VJJPUFIOWFTXAG-MUUNZHRXSA-N 444.583 -0.055 50 20 IBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 815566254 NGSZLASBBPBJNV-LLVKDONJSA-N 431.405 -0.037 50 20 IBGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212676 UAQXCDOMCWXLDN-LBPRGKRZSA-N 436.487 -0.598 50 20 IBGD Cc1ncncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779668825 LKHOJHADJLGENJ-FQEVSTJZSA-N 425.449 -0.459 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](F)Br)C4)C3)cc21 1781328694 WJSQQPXWZJFAMG-WBMJQRKESA-N 444.261 -0.240 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1781429597 LSUAGDXBELMHAS-OAQYLSRUSA-N 441.492 -0.289 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782043580 XVYKHGBMSGIEJB-OAQYLSRUSA-N 426.234 -0.465 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609694 AXJVIUOGEJSTJL-ZUXXIDCJSA-N 431.493 -0.106 50 20 IBGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732975 TZUMOCNBVSBXKS-VPTLXERWSA-N 439.277 -0.784 50 20 IBGD CC(=O)O[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(C)C 1797751595 KWLFVMWFPNQIFU-DACLVMHWSA-N 447.492 -0.524 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810348021 ICPSUQUNHTZFDK-MKSNKDDYSA-N 426.901 -0.662 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475013 JRZSVQMAWUQRAH-INIZCTEOSA-N 448.310 -0.170 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(C)(C)C 1830725223 HLQCNMDPAWXEDA-SPYBWZPUSA-N 433.933 -0.407 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c[nH]1 1835928023 ASRJTMCDCTUQKW-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839152425 YXDKOIPQMPSUAD-ZLIFDBKOSA-N 439.340 -0.728 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840150014 DJIVYXSPBJBCIX-RDTXWAMCSA-N 430.889 -0.248 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183475 GPHSPNBDPIURQE-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD Cc1nn2cc(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3ccc(B(O)O)cc3)nc2s1 1847975225 KTIUZQBJNITQNO-IRXDYDNUSA-N 439.306 -0.163 50 20 IBGD Cc1c(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1[N+](=O)[O-] 747975033 JVCYJOYLFPBBOE-UHFFFAOYSA-N 429.393 -0.960 50 20 IBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2Br)CC1 759718306 OLICHMYTSMWQTO-UHFFFAOYSA-N 437.291 -0.074 50 20 IBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)C1=CC=CN2CCS(=O)(=O)N=C12 761384478 GZCIEHXREGSYBH-UHFFFAOYSA-N 438.491 -0.762 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1cn2ccccc2n1 763057736 NZZCNPQJICHMMQ-GFCCVEGCSA-N 444.473 -0.510 50 20 IBGD CN(CC(=O)NNC(=O)CNC(=O)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 763819278 XOIJBFATSPKGTE-UHFFFAOYSA-N 439.881 -0.067 50 20 IBGD CCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc21 764227288 MKTXNRQLMAJWHY-NSHDSACASA-N 439.494 -0.601 50 20 IBGD C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725881 UKNDWSKONLLFOS-SNVBAGLBSA-N 434.840 -0.298 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 779843712 CFTMTZGDIBKIGJ-UHFFFAOYSA-N 448.523 -0.165 50 20 IBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)[C@@H](C(=O)OC)C1 780350674 QKBMDGSTZJIBLZ-ZIAGYGMSSA-N 437.449 -0.109 50 20 IBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 795779236 JORUIHCGUNXUOO-KKSFZXQISA-N 445.428 -0.562 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)o1 914846226 CJIUMCYPHYYDHK-UHFFFAOYSA-N 429.480 -0.102 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779037312 VLFKYKXXQYCYPI-MLGOLLRUSA-N 444.261 -0.181 50 20 IBGD CCn1nc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cc1C 1779716287 FQYMQPOOACCONX-NRFANRHFSA-N 441.492 -0.033 50 20 IBGD Cc1nc(F)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779823546 HCXBPOFJKFDAMC-NRFANRHFSA-N 427.241 -0.034 50 20 IBGD O=C(CC12CCCN1CCC2)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781133574 RIIDYJWIMPGAKZ-QHCPKHFHSA-N 441.337 -0.172 50 20 IBGD Cc1cnn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979797 IEPANGCLHJEMFY-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1788609932 UDPARSSXXYVUSR-ZLIFDBKOSA-N 427.465 -0.756 50 20 IBGD CN1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611737 XDUUAXYYAXWABU-MGHWNKPDSA-N 430.509 -0.627 50 20 IBGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)no1 1795732406 CGFUIGUEAXYIQD-CCWDJLKJSA-N 427.266 -0.005 50 20 IBGD CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N(CC)CC 1795732746 FYRBHFKJUPUWNO-PIKOESSRSA-N 431.342 -0.310 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1cccn1 1797754475 YMSVAIPOELNNMP-VWPFQQQWSA-N 427.465 -0.654 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCc2nc[nH]c2C1 1801267276 UGYABIFGYSWXDT-IHSNIMORSA-N 438.293 -0.902 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnccn1 1801446749 BEGHKZMCCKFSJZ-XHURMGOSSA-N 437.460 -0.608 50 20 IBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810306116 UBMRSRXFKZOXNN-YEWWUXTCSA-N 439.476 -0.466 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1c1cccnc1 1813070471 GZRPDXQYWHUDMW-AVRDEDQJSA-N 446.552 -0.207 50 20 IBGD CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814626932 XAQCLFVANYLCKY-SECBINFHSA-N 431.478 -0.544 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nn1)CC2)c1ccc(B(O)O)cc1 1815336774 DXZCINYGGRJTDV-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1cccs1 1830726871 UYUTWLGVSZKPLL-ACJLOTCBSA-N 445.925 -0.466 50 20 IBGD O=C(C1CCC2(CC1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735034 CBZAUENDTOADGB-LPHOPBHVSA-N 446.928 -0.024 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834676064 QSYMUYIFCIIWKK-HOTGVXAUSA-N 431.965 -0.595 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799996 MWYWGNHKOAMDLN-OAHLLOKOSA-N 444.341 -0.937 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836767480 LTMZMDAMOPFTKC-XLIONFOSSA-N 444.960 -0.376 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839696061 BLZBXOXESMAZDZ-WIRSXHRWSA-N 444.318 -0.689 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840152968 ZWJUTHMLSCFWTN-XHDPSFHLSA-N 428.816 -0.193 50 20 IBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182264 BGOYVVWCAKZLEM-JOCHJYFZSA-N 447.536 -0.238 50 20 IBGD CCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 10161615 UEKYNPCSBCTCKL-UHFFFAOYSA-N 428.449 -0.388 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)c1ccnc(C(=O)NNC(=O)Cc2cccnc2)c1 746218451 HNYXBADJYSBZFN-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570554 FQJHSYNCRGFTAO-INIZCTEOSA-N 448.457 -0.338 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770223867 XNSRUVRIMBRGHR-QGZVFWFLSA-N 427.820 -0.082 50 20 IBGD CC(C)(O)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 787946662 ZLLVELMJNFFATC-UHFFFAOYSA-N 426.495 -0.782 50 20 IBGD CCn1c(SCC(=O)NN=C2C(=O)NC(=O)NC2=O)nnc1-c1ccc(OC)cc1 814224148 AGLDFUABPNYCKC-UHFFFAOYSA-N 431.434 -0.096 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 919888801 GWPMEIKKMJFWII-ZDUSSCGKSA-N 432.524 -0.559 50 20 IBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)S(=O)(=O)c1ccc(Br)cc1 920436207 YQKVYQPSMFXVBB-UHFFFAOYSA-N 447.311 -0.161 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1320580612 AAIJEIQRISVKSM-VXGBXAGGSA-N 445.519 -0.423 50 20 IBGD C[C@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c21 1777850722 ROXKCLLRNQQXMH-RCDICMHDSA-N 438.293 -0.104 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1779031930 HUVCZIJIQITYSC-NRFANRHFSA-N 439.476 -0.415 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(O)C1)C2 1779371542 YBSSXRGESOBRGS-DJKPYKRZSA-N 431.493 -0.417 50 20 IBGD CC(C)(C)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610574 HFPZCCBKNKAPHY-JQFCIGGWSA-N 432.525 -0.334 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788651719 CJGXRJCESZCGJW-FPXQBCRKSA-N 429.590 -0.532 50 20 IBGD CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)C1 1789742293 NIFYSQIKRAEEQA-ZULIPRJHSA-N 429.326 -0.699 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1790964418 PTGKKRSKSUDNMF-CYDGBPFRSA-N 448.314 -0.317 50 20 IBGD O=C(/C=C/c1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791696789 QQYXJMRDRZLSTF-HBWIIKTASA-N 436.277 -0.537 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1[nH]nc2ncccc12 1796216967 CTWSSUGEAYNGJZ-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373877 VEEQZWZGDZZNCN-DJKXOVBDSA-N 438.293 -0.394 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)O1 1827055990 QCULSAQREWGLHP-ROUUACIJSA-N 429.282 -0.292 50 20 IBGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1827060071 OQSDVEJELBUZPB-BEFAXECRSA-N 440.313 -0.153 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1830364741 SDDHAPMYWQDWCV-HNAYVOBHSA-N 433.933 -0.642 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1835933620 DLNOXLKBMBXFGF-UTKZUKDTSA-N 448.350 -0.420 50 20 IBGD C[C@]1(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CCCN1 1836383602 AWBNNLATWGGFIE-HSZRJFAPSA-N 442.369 -0.306 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838729252 VRLZXOIBUFCUMU-HNNXBMFYSA-N 447.916 -0.218 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839144380 XBCRPFBXPFTHGC-DOMZBBRYSA-N 427.822 -0.815 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839386754 MVUQADNFUOKARN-QFSBIZTOSA-N 439.868 -0.180 50 20 IBGD COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1840615808 FMEINKORYLFANQ-JOCHJYFZSA-N 446.309 -0.604 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840863099 NNKDKYSTEUKSDX-LAUBAEHRSA-N 448.350 -0.420 50 20 IBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)[C@@H]1SC(=N)NC1=O 1843406604 JSLQSLGTBOTLHC-MFKMUULPSA-N 445.505 -0.695 50 20 IBGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744398265 DLSPTUXDEWSAFW-INIZCTEOSA-N 430.509 -0.522 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n(C)c1=O 765726153 ZGRSECKYSUTBBJ-UHFFFAOYSA-N 435.784 -0.544 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)n(C)c1=O 766643015 IQMYUDAFAIEOGV-UHFFFAOYSA-N 442.480 -0.276 50 20 IBGD CC(C)C(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 769087516 UOTIJWGCCLBUFF-GFCCVEGCSA-N 428.467 -0.826 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cccc1-n1cnnn1 784004695 JMMQSSFOGWRXAG-UHFFFAOYSA-N 428.434 -0.452 50 20 IBGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)ccc1OC(C)C 915058646 SRVZKQVPGZZHQL-UHFFFAOYSA-N 425.467 -0.045 50 20 IBGD O=C(/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NCc1ccco1 1779207666 VZYKJIWAJFALCX-AABORUILSA-N 425.869 -0.118 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781419199 PFKQSUQEMVQMPZ-WQZUMXOESA-N 428.453 -0.758 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1783882137 OFHLKOFOVGZYNH-YJYMSZOUSA-N 435.868 -0.213 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1783967696 JLDAQXPETQOKPR-XUXIUFHCSA-N 430.347 -0.163 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784021651 RTTHDYVSPLSESC-STECZYCISA-N 433.509 -0.315 50 20 IBGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n[nH]1 1791288615 LYRBSIGQWUEYBX-ZQIUZPCESA-N 434.497 -0.421 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nn1C 1791291568 ZTWMUGYONKAOBK-ZVZYQTTQSA-N 434.541 -0.051 50 20 IBGD Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1Cl 1795735263 UEVLSLFHYKCSKI-YWVIFJGQSA-N 432.673 -0.730 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1F 1795988904 FIVHDLUHDOQCQC-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]c2c1CCCC2 1796161363 UYSUCLDHJMJBPO-CCWDJLKJSA-N 438.293 -0.515 50 20 IBGD N[C@@H](Cc1cscn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796746219 LHWUBKSSGAIRBK-RANZSIQMSA-N 428.323 -0.355 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369333 GZBBNOABXAFNQH-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)n3)CC2)C1 1809966939 NEFNUHYGIXYLJL-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD Cc1nn[nH]c1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354598 KZRVBICSJRKDEV-LBPRGKRZSA-N 426.267 -0.211 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831449832 SZKYKUYLCNYZFW-SUMWQHHRSA-N 438.930 -0.397 50 20 IBGD CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460670 ITYROKCRLLRKOP-NRFANRHFSA-N 448.524 -0.905 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CCC1=O 1837710278 SFHQSAOQDILOEU-LJQANCHMSA-N 440.573 -0.098 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838405371 SQFJHNBPTHZSQO-FXAWDEMLSA-N 447.960 -0.111 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203740 QFZISOJZEHPTTM-ABAIWWIYSA-N 445.822 -0.625 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1 1840355409 TVBSWTNETBHECR-LAUBAEHRSA-N 435.525 -0.122 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1841858296 XMTRBTCQQWPKRR-KRWDZBQOSA-N 439.321 -0.026 50 20 IBGD Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cs1 729274474 LWTHTSUZRMOUMO-MRVPVSSYSA-N 429.480 -0.076 50 20 IBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729629588 ODNTVXLPHMPYMC-MRXNPFEDSA-N 433.436 -0.288 50 20 IBGD O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NNC(=O)C(=O)N1CCCC1 732702938 DRNJJBBFUCFWGR-UHFFFAOYSA-N 429.421 -0.499 50 20 IBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 751282619 PDVBIFYDMJVMMB-UHFFFAOYSA-N 442.475 -0.540 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([N+](=O)[O-])cc1F 755518174 SZILPYMFRODFNC-SECBINFHSA-N 447.383 -0.568 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1 758039598 MGDPYAIQRKTLFT-ZDUSSCGKSA-N 434.540 -0.635 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1 763935923 BGJPVFYWUXIIQD-UHFFFAOYSA-N 436.856 -0.372 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ccc(F)cc2)n1 764234263 XBEMBGDZQBTDAN-SNVBAGLBSA-N 426.430 -0.657 50 20 IBGD Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765177579 SSWPZKXNSFTGSY-LRDDRELGSA-N 428.449 -0.946 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 778441754 ODOLDZHEUPFSNP-UHFFFAOYSA-N 442.494 -0.007 50 20 IBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)c1csc(N2CCOCC2)n1 912852068 HKGBUZQVFFABRG-UHFFFAOYSA-N 429.524 -0.667 50 20 IBGD C=CCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 913435458 DGUBBCBZZDQJHN-UHFFFAOYSA-N 425.536 -0.166 50 20 IBGD O=C(NCCNS(=O)(=O)Cc1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 916517215 ZFSUYFDDLBSDLS-UHFFFAOYSA-N 444.477 -0.274 50 20 IBGD COC[C@@H](C)NC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 917913189 RAQAWHVZPRXNQM-OAHLLOKOSA-N 443.595 -0.168 50 20 IBGD O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1323469065 NOIJOCCFVWRXEO-SNVBAGLBSA-N 443.425 -0.277 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1779030653 GGRSGUAPKTZZJB-HXUWFJFHSA-N 427.417 -0.604 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccn1)C2 1779373112 BLURJUDZVUUABR-DYESRHJHSA-N 441.492 -0.291 50 20 IBGD CN1CCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2C1 1782558365 IVUVFUKNCZWGIZ-APWZRJJASA-N 425.917 -0.238 50 20 IBGD Cc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1F 1785762699 LNDPHOLMNVVTEJ-CQDKDKBSSA-N 445.455 -0.237 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21)c1cccc(B(O)O)c1 1786986476 DPVSXIIZOPFTJC-CHZZJNJQSA-N 428.294 -0.473 50 20 IBGD O=C(CNCP(=O)(O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1795518208 NEQJNMSAOBXIQA-DDFAGTSDSA-N 428.220 -0.914 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734123 DENPXJVTCYQVNY-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nc[nH]c13)C2)c1ccc(B(O)O)cc1 1795734816 UJXFMHICEMCDOE-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cnnn1 1822854533 YCQJNCWMJSFFGX-WBMJQRKESA-N 438.257 -0.357 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830538820 RACQOXAMFLIIEJ-IUODEOHRSA-N 431.291 -0.840 50 20 IBGD COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)(C1)C2 1830735630 JJOVLCMSBKQZCR-CYBNEDPLSA-N 430.885 -0.614 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826348 LYXYCLYBTWDPII-OAHLLOKOSA-N 441.344 -0.338 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1835930154 ABUQYNUXLDOOIT-NQIIRXRSSA-N 430.266 -0.871 50 20 IBGD CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)COC1 1839779255 LXGPWDCMTFPMDJ-HXUWFJFHSA-N 426.514 -0.758 50 20 IBGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 733347404 XBHYQLBFBUQURN-CQSZACIVSA-N 425.515 -0.553 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 757875829 WPMUYCFMTTYTNZ-MRVPVSSYSA-N 437.475 -0.643 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)ncn3)CC2)cc1 759611245 XCWFYYOVUQGSOL-UHFFFAOYSA-N 432.506 -0.139 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2c1CCC2 764232714 SXQVKKWVTQGHLS-QMMMGPOBSA-N 446.507 -0.563 50 20 IBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 764421572 NFWQAPYGFIQQEN-UHFFFAOYSA-N 438.487 -0.427 50 20 IBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(OC)c1 782120184 GGEKHSLPVKVCDZ-UHFFFAOYSA-N 439.388 -0.143 50 20 IBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 919889746 SJOFNOCWFMINRJ-FZKQIMNGSA-N 437.478 -0.720 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029218 OBFAJKUPFAFHTR-RNODOKPDSA-N 432.481 -0.957 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783533480 XJXHEYJHSRIDCK-MFKMUULPSA-N 428.220 -0.676 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1783874307 GOGVRFDLDKDCKT-BFUOFWGJSA-N 439.900 -0.286 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)no1 1786983581 NYTZPZDUWHWHRE-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)o1 1788922728 MHZLSJWAGCJYDT-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790609627 CRTUMKMSBGGTSU-VGWMRTNUSA-N 442.513 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1791293306 SWQJCPVOLHCSCO-IHRRRGAJSA-N 430.527 -0.843 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2)[C@@H](O)CCl 1792984189 ZPHHDWNMHQVACC-MVWRLGRASA-N 447.875 -0.081 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNc1ccc(F)cc1)C2)c1ccc(B(O)O)cc1 1795734475 IZVDCXSBQHDQPB-VPTLXERWSA-N 441.268 -0.179 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796412174 IGRFUQAENJAMHQ-FAYQHZLMSA-N 444.322 -0.473 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2n(n1)CCCC2 1797440581 IECHKOOKOYFFQJ-CWPLJXCYSA-N 438.293 -0.584 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1Cl 1798346809 DWWYHMBQLYZREN-DRXBFXEBSA-N 426.905 -0.350 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801867495 ZDCDLSXNQRDWCP-MVWRLGRASA-N 447.875 -0.081 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1nccn1)CC2 1819800932 VLEBNILESOPMMU-JTQLQIEISA-N 441.477 -0.341 50 20 IBGD N[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1cccnc1 1830722889 IMIUIZGTBUEZSY-GPMSIDNRSA-N 426.901 -0.472 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1831657024 KQALLMIIJONIJS-VQIMIIECSA-N 435.949 -0.863 50 20 IBGD COCCOCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797955 PLMHBHVKEYDJMA-UHFFFAOYSA-N 447.341 -0.785 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1)c1ccc(B(O)O)cc1 1834798405 RNTCZQYLOUCVIZ-UHFFFAOYSA-N 427.270 -0.752 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835380646 RLFRSDHSONLVQF-NRFANRHFSA-N 439.557 -0.698 50 20 IBGD NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1835814301 ZVLZBTRPXFFSFY-ABSDTBQOSA-N 425.913 -0.215 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149934 WROBRCCQPUPHOA-IRXDYDNUSA-N 439.340 -0.050 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)n1cnnn1 1840475890 NCHCBKPVEUGCGE-WFASDCNBSA-N 431.291 -0.525 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 728372529 RYXMYRLGBKIYET-BYNSBNAKSA-N 425.507 -0.066 50 20 IBGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)N[C@H]1CCS(=O)(=O)C1 730533480 HFZXCVCTSKLFOP-WCQYABFASA-N 438.462 -0.672 50 20 IBGD Cn1nc(SCC(=O)NN=C2CCS(=O)(=O)c3ccc(F)cc32)c(=O)n(C)c1=O 730571403 QXDMMWWXGHUUON-UHFFFAOYSA-N 441.466 -0.592 50 20 IBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 758151091 FHTRTHWEPGSHRL-UHFFFAOYSA-N 439.494 -0.306 50 20 IBGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764230364 HJVJWWVDWKATTK-GHMZBOCLSA-N 428.467 -0.938 50 20 IBGD Cn1cc(C(=O)NNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cn1 764358713 HUQBFBASGYVVHH-QGZVFWFLSA-N 440.460 -0.012 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766642998 IKMKXIBFLBAPDU-UHFFFAOYSA-N 441.492 -0.263 50 20 IBGD COCCn1nc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccc1=O 766649672 SGZZZGIUBZJTPA-UHFFFAOYSA-N 442.520 -0.223 50 20 IBGD COC(=O)N1CC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 770425598 JMYJVZFOFKLYEP-UHFFFAOYSA-N 441.466 -0.898 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 772040776 HMCPJMWAAUPSGI-OAHLLOKOSA-N 440.522 -0.064 50 20 IBGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 811692202 XUKVZHZGDHMXHH-UHFFFAOYSA-N 440.931 -0.812 50 20 IBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)C[C@H](C)O1 914789269 ZBKOJBKVBLOZDC-HOTGVXAUSA-N 439.538 -0.581 50 20 IBGD CS(=O)(=O)N[C@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 918779299 LEDYBJFLFKSBOJ-NSHDSACASA-N 432.528 -0.652 50 20 IBGD CCN(CC)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920814061 MACDBGWRIQZMCS-UHFFFAOYSA-N 441.510 -0.480 50 20 IBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116145501 GZDHJLBWKUKPHN-SRABZTEZSA-N 442.476 -0.607 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782692888 WTRCAAANWUTEDH-VGSWGCGISA-N 431.342 -0.212 50 20 IBGD CC1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786983312 MAOWHBFFXCVDBR-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786983718 WAUCDRNDFSHTQB-VDGAXYAQSA-N 439.277 -0.566 50 20 IBGD CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1F 1795732466 IPUKKUFMIOCICH-FVCICTRLSA-N 430.245 -0.692 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1796440529 OSYCACUPDSFXRE-SNOXVSQISA-N 427.465 -0.393 50 20 IBGD CN(CC(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1)NC(=O)NCc1ccccc1 1805282165 FPKGJDUUTVFVGC-UHFFFAOYSA-N 447.536 -0.126 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807364266 POMVQHMJUQUXGR-APWZRJJASA-N 434.265 -0.179 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1821956488 DYIYLYOSQWCVPO-BBRMVZONSA-N 425.254 -0.469 50 20 IBGD O=C(c1ccc2c(n1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727671 ASBHUNODJXICJB-IFXJQAMLSA-N 441.868 -0.478 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1831651770 SFOAIZKIJSAYQH-VDZJLULYSA-N 433.933 -0.499 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1)[C@@H](O)CCl 1833312383 SDJXECUFMGDOMG-HNNXBMFYSA-N 441.916 -0.268 50 20 IBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1834826393 OHAKPQWIDIZODU-KRWDZBQOSA-N 444.282 -0.847 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839963510 MOEFUNXAGAJBTF-OGHNNQOOSA-N 449.346 -0.791 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188835 GBIWAHIVSPJGKV-INIZCTEOSA-N 432.264 -0.551 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840261646 PNTLUSYKALUQRQ-KUHUBIRLSA-N 427.885 -0.225 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840371256 XQTXKHGGNOCWKA-RVKKMQEKSA-N 445.879 -0.552 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840485039 XVXMXBBFMBJYCB-AUUYWEPGSA-N 427.885 -0.082 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1OC 108182944 ANCSRQVRNMZCCD-ZDUSSCGKSA-N 428.511 -0.274 50 20 IBGD COC(=O)c1c(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)n[nH]c1C 732046485 XDGMUPPUFCYLKG-UHFFFAOYSA-N 444.495 -0.270 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ncccn1)c(=O)n2Cc1ccccc1 735880265 PTCJVSIVXOAJIO-UHFFFAOYSA-N 448.443 -0.321 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 744446615 FXZGIKQJFZXLLB-CHWSQXEVSA-N 426.495 -0.230 50 20 IBGD CC(C)OCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745997936 DRJMPPJZGXINSO-UHFFFAOYSA-N 435.524 -0.303 50 20 IBGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1F 751262639 GERZWTQYFRCLMT-UHFFFAOYSA-N 436.381 -0.112 50 20 IBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)c1 752513580 GBRAVWNVOOPDCC-RYUDHWBXSA-N 440.478 -0.426 50 20 IBGD Cn1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1=O 756686080 SZRGSQRXUWQOEQ-UHFFFAOYSA-N 435.462 -0.127 50 20 IBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(F)c1 763921179 ILYLZSBOUCHYIM-UHFFFAOYSA-N 427.352 -0.012 50 20 IBGD CCCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764227808 RVKVQDFNJCUUFL-NSHDSACASA-N 428.467 -0.333 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 770955859 RIUYEUHJEGSFGH-GFCCVEGCSA-N 449.489 -0.280 50 20 IBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)OCc1ccccc1 794070351 UAZABJIWBPJRIT-UHFFFAOYSA-N 445.457 -0.201 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cnsn1 918280882 XGSDLKBDPNRQRT-UHFFFAOYSA-N 425.492 -0.047 50 20 IBGD CN1CCC(NC(=S)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 920306811 OSBGHXPRORKQGX-UHFFFAOYSA-N 441.579 -0.089 50 20 IBGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1779028151 FSJDCZBYLVELEJ-FQEVSTJZSA-N 443.464 -0.816 50 20 IBGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(C)C 1779032527 RJFNRLSNNVBPCI-UWJYYQICSA-N 447.492 -0.284 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783940177 VSFLBBPQXKYKHU-JXFKEZNVSA-N 425.530 -0.506 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1[C@H]2SC=C[C@H]21 1790625129 UPXFSXVXHBBFLM-ZKFKSPHGSA-N 428.319 -0.165 50 20 IBGD Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794693594 KSIFBWQUNDNAAG-FVCICTRLSA-N 428.449 -0.193 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2)c1cccc(B(O)O)c1 1795740656 GQSHZNWQFVTNFY-XEMDLRDOSA-N 442.252 -0.485 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440619 TVSLVWMXVMINQC-YIYPIFLZSA-N 431.497 -0.356 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn[nH]c1C(F)(F)F 1798713984 JSUSNOOVLAIFOT-DDFAGTSDSA-N 447.418 -0.600 50 20 IBGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)c(=O)nc1O 1802344275 VDQSUSGDYTZEDI-QDMKHBRRSA-N 434.497 -0.731 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806766089 IAROSQSSKDMLBX-QFBILLFUSA-N 445.306 -0.874 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CCN1 1817479067 GVKDLYKVMWXJRT-YOEHRIQHSA-N 439.281 -0.078 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cnnn1 1817479115 HDSXZLLFHNWOLH-LRDDRELGSA-N 438.257 -0.357 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831328723 IXLBPGUOLOVUQL-ABAIWWIYSA-N 446.353 -0.426 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831893733 OMZYGJLMTCZNBW-BEFAXECRSA-N 427.885 -0.291 50 20 IBGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CCC1=O 1832380162 JQEVYNZPGBISBA-BBRMVZONSA-N 449.277 -0.259 50 20 IBGD O=C(C1=COCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933509 AWNOMLAQKXJEED-OAQYLSRUSA-N 430.266 -0.869 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840030731 UZZRMKHKIPTZHL-MLGOLLRUSA-N 435.319 -0.503 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188310 BYBNMRJWWLOTSH-IAQYHMDHSA-N 428.269 -0.689 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840450187 VHOUWCQMITUEFM-GMBSWORKSA-N 427.885 -0.095 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808363 ULPYAHDQEXTTAR-IFXJQAMLSA-N 442.900 -0.269 50 20 IBGD COC(=O)NCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039421 OFYAKUFCFICZGE-UHFFFAOYSA-N 446.508 -0.108 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845440237 YLVDMNZQZCVRCA-HNNXBMFYSA-N 427.502 -0.594 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc21 728501416 KEAFYAIQMHQVAA-ZDUSSCGKSA-N 433.402 -0.816 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)COCc1ccccc1 737922990 ICVRBQNVBFFVKZ-UHFFFAOYSA-N 434.430 -0.394 50 20 IBGD COCCOCCS(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 754753540 GFABIXTWDQBTOP-UHFFFAOYSA-N 428.511 -0.942 50 20 IBGD COc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1 755374708 OWEUJOXPJDIERW-UHFFFAOYSA-N 431.409 -0.696 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)NC(=O)CC3)n(C)c1=O 756748063 VODNEUCGMVYEPY-UHFFFAOYSA-N 440.420 -0.829 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)CC2 764400342 PKWRVEQJRGLECZ-GFCCVEGCSA-N 442.494 -0.927 50 20 IBGD CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764433264 LIQUFBRSTZCBPF-AWEZNQCLSA-N 428.467 -0.270 50 20 IBGD CC(C)(C)OC(=O)N1CCC(OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 777239161 ISXUURMXGVPDSN-LBPRGKRZSA-N 434.515 -0.080 50 20 IBGD COC(=O)c1cn([C@@H]2CCN(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2)nn1 793218758 VOESHOPLESGKDK-CQSZACIVSA-N 445.436 -0.021 50 20 IBGD COc1ccnc(NNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 806983891 IVDWOBVVTYJDEC-CHWSQXEVSA-N 426.433 -0.036 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1779030988 LPRVBNWPMLNHSA-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983107 JLESBLCGNCMSND-SZMVWBNQSA-N 426.282 -0.684 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1786984284 YLENLQHGWBIWDZ-TWLHIMTCSA-N 441.337 -0.700 50 20 IBGD Cc1nnsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787630584 XBQPBRVYUQPCSS-BPUTZDHNSA-N 430.295 -0.567 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC1CCCCC1)C2)c1cccc(B(O)O)c1 1795737779 SGPZGSNXCXHKGD-UPHUGPLXSA-N 430.310 -0.081 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753627 CSHKGWIRSBPGNL-JFILPPLUSA-N 449.464 -0.550 50 20 IBGD COCCOCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806756608 PMWSKAQGLUOCTC-RXVVDRJESA-N 441.293 -0.256 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657726 WFISCYLHNHIMBA-BVJIBDCISA-N 435.289 -0.027 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)ncn1)CC2)c1cccc(B(O)O)c1 1815350311 PLJQBURNZVSMBG-GFCCVEGCSA-N 439.262 -0.142 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)CC2 1826089401 BXLOQIJOSIGTNO-NEPJUHHUSA-N 436.538 -0.046 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1830985623 OBTPUNLFOWOGQB-OXJNMPFZSA-N 436.513 -0.727 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1)[C@@H](O)CCl 1833312223 LLQPXTDFORCYJD-JKSUJKDBSA-N 435.974 -0.265 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1833717477 JLLYMZVXGGJELH-PGLVWIQMSA-N 443.464 -0.386 50 20 IBGD CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835737315 HHXUCCCXCJHFQU-HNNXBMFYSA-N 434.006 -0.358 50 20 IBGD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)COC1 1839777347 LYZRLNMKLVXSCY-NRFANRHFSA-N 447.492 -0.818 50 20 IBGD COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183527 JVMQCMBLZDHXET-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186789 PNKCPWJKNZUFJG-NHYWBVRUSA-N 446.353 -0.426 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840923679 NHUNWLOQBXVTGW-NRFANRHFSA-N 448.350 -0.420 50 20 IBGD CCn1nc(C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)c2ccccc2c1=O 727765348 WHJGLGMRTNIISS-INIZCTEOSA-N 442.457 -0.093 50 20 IBGD COc1cc(C(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc(OC)c1OC 728176537 HEKFAVOZYSBAIC-ZDUSSCGKSA-N 429.495 -0.066 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 758046334 HKMDPWLCCFTRTG-DTWKUNHWSA-N 433.468 -0.654 50 20 IBGD CCC(=O)N1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 762380941 ACEPCIHNFRSJAN-CQSZACIVSA-N 439.542 -0.345 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 764344747 IGZRXTBSZBHQFQ-UHFFFAOYSA-N 434.412 -0.404 50 20 IBGD COC(=O)Cn1cc(C(C)=NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1 772845186 UOVGCAYCAMWYKO-UHFFFAOYSA-N 427.465 -0.251 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)C1 773411367 JVWZMEGPHROSEA-CYBMUJFWSA-N 433.531 -0.304 50 20 IBGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 793389525 WUHSRHMKFUCPNP-UHFFFAOYSA-N 425.419 -0.048 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1C 794594790 ARPZXPWYPRXAHX-UHFFFAOYSA-N 436.512 -0.263 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806979072 MFNAQRGQEQERHU-HOTGVXAUSA-N 437.456 -0.193 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 808045870 RNIXRTKLSOLJAU-GFCCVEGCSA-N 442.494 -0.377 50 20 IBGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1ccc(OC)cc1OC 812884290 MBBWEFSWUMSUKP-GFCCVEGCSA-N 442.494 -0.317 50 20 IBGD Nc1nc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)nc(N2CCOCC2)n1 816915961 QWCLKZHWWDFRLW-UHFFFAOYSA-N 434.482 -0.512 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1779032404 QUDMNGWJFDYKER-FQEVSTJZSA-N 429.433 -0.472 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785149715 PTZLMIMBCYNREM-MOLYVOAJSA-N 445.314 -0.405 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787426299 XCGGTSYMUZPWIK-RPZXMPESSA-N 449.464 -0.601 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C)n1)C2 1796441246 OCEFOHVNMMVPQP-MGRLTOJPSA-N 427.465 -0.243 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2ccnn12 1799902663 ORUHGCUQIOUBRL-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1831641151 WIYAOYZZRWIULT-FZKQIMNGSA-N 430.889 -0.598 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)o1 1831790303 OTYRSWWGXWUBLN-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H](O)CCl 1833310824 UTQWOLITXQNGQY-SFHVURJKSA-N 437.733 -0.849 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839146258 WYEHRUMZIMEBMV-PXNSSMCTSA-N 444.960 -0.376 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839700206 JFONKQGRMBNBCV-IVGZAAIESA-N 438.550 -0.309 50 20 IBGD CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840149617 VTRIEWHQPVEVCO-MEDUHNTESA-N 433.918 -0.096 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188432 IZWPRTGTWCKQHK-WBMJQRKESA-N 426.297 -0.602 50 20 IBGD COc1ccc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1[N+](=O)[O-] 725901928 AUJAVAOAHUKBMX-UHFFFAOYSA-N 435.418 -0.028 50 20 IBGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C)N1CCOCC1 729624597 YJNWNTAMNRHJSF-ZIAGYGMSSA-N 427.527 -0.010 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 756155769 UVGTUBPXNFRDSB-JTQLQIEISA-N 425.492 -0.243 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 763821609 VCNZOLHGDUUMQB-CQSZACIVSA-N 439.428 -0.217 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 764045962 VVILKZVQLWKYIH-NWDGAFQWSA-N 427.504 -0.333 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CCOc3ccccc3)cn2)CCN1 764167960 KOWMMVOIMCGKBG-UHFFFAOYSA-N 426.433 -0.427 50 20 IBGD CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764226428 INQUQIWAKDOGBU-LLVKDONJSA-N 441.510 -0.371 50 20 IBGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 765070815 MJVNTCSKORVJSM-OAHLLOKOSA-N 437.522 -0.367 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@]12CCC(=O)N1CCS2 766637052 WCENQBJCAKTBLK-FQEVSTJZSA-N 431.518 -0.343 50 20 IBGD O=C(COC(=O)c1cc2c(O)ncnc2cn1)NNC(=O)[C@H]1COc2ccccc2O1 778469677 YJIZTWLXEMFHSA-OAHLLOKOSA-N 425.357 -0.125 50 20 IBGD O=C(NNc1ncc(F)cn1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784950208 UIBGCJTVCFODBL-HNNXBMFYSA-N 430.396 -0.288 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 787735469 HPQANVFUNDCDAP-MNOVXSKESA-N 442.498 -0.620 50 20 IBGD CN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 915898593 GEJFJZOXGZWHOG-UHFFFAOYSA-N 425.511 -0.254 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779032509 RAZYQIOSWJGRPC-HLQTZPMBSA-N 443.508 -0.400 50 20 IBGD O=C(/C=C/c1cnc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782428528 WMPHRQBXGZJMCH-FTAHBHFESA-N 438.293 -0.070 50 20 IBGD Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)c(=O)nc1O 1783112661 VGPQWKIQJQCCRJ-PJIJBLCYSA-N 442.900 -0.629 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784632181 WWHRAXDMEQZDOX-YCRPNKLZSA-N 426.282 -0.424 50 20 IBGD Cn1cc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787744020 OKGYXLXAKGCIKV-FNHZYXHNSA-N 429.257 -0.249 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1791293185 MYDPVJCKKJVGDC-ULQDDVLXSA-N 437.541 -0.648 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2)c1cccc(B(O)O)c1 1795738733 BRDCNLZDNAYRNB-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800232138 RSPYHYGIPXQYNJ-JFILPPLUSA-N 449.464 -0.550 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800258701 CVCUUYJPBUFEJE-HNCHTBHHSA-N 434.287 -0.850 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812653333 CWDJCCPIJADIBD-LIVBEALHSA-N 432.525 -0.015 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1813072131 ANUPXRGCMZCELS-MGPUTAFESA-N 441.492 -0.143 50 20 IBGD C[C@@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815292896 HZDREYVCRMYARB-BLLLJJGKSA-N 427.270 -0.093 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CCO2 1830495293 IOTSVWNLPOEQOP-JQVVWYNYSA-N 428.294 -0.518 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833875258 FRYLASMONNDBKA-MLGOLLRUSA-N 430.303 -0.084 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1)c1ccc(B(O)O)cc1 1834798597 OMSIASKXLUBHSL-FQEVSTJZSA-N 426.326 -0.920 50 20 IBGD O=C(CC1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929527 UGUCLSLLTQLWMD-QFIPXVFZSA-N 446.309 -0.747 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1839145504 JXNDFAOJENTFRL-FRQCXROJSA-N 448.900 -0.045 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839146260 WYEHRUMZIMEBMV-YLJYHZDGSA-N 444.960 -0.376 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1840033925 UZNMSIZSMMAJMZ-QAPCUYQASA-N 447.374 -0.526 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840152304 FCCGQHBILLHVCA-DIFFPNOSSA-N 430.845 -0.788 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840153434 OMBJWTWRGCOYQC-KDOFPFPSSA-N 442.856 -0.501 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183715 VQWMOROGMRCKNI-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cnn(-c2ccccc2)c1 733171492 OKMNNRAVMUAIRK-XJKSGUPXSA-N 431.474 -0.331 50 20 IBGD Cc1cc(NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)no1 744384733 OVYCDJGFUJFDNC-UHFFFAOYSA-N 425.449 -0.128 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 756404291 UKHLUKZYELZINS-JTQLQIEISA-N 433.512 -0.440 50 20 IBGD COc1cc(Br)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 760515746 MARSLZYUKBTUPR-ZETCQYMHSA-N 430.302 -0.295 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 763431655 DIJCWTSLRDQKDI-JTQLQIEISA-N 436.487 -0.691 50 20 IBGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)C(C)(C)O)c1 768260875 HXCGAGPSEKPEPC-UHFFFAOYSA-N 438.300 -0.094 50 20 IBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)O)c(=O)n2Cc1ccccc1 786728129 BMPIVWVYRVGMOK-CQSZACIVSA-N 442.476 -0.408 50 20 IBGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@H]3CCc4nncn4C3)ccc2O1 793448518 TXAQRTZGYVFODU-XHDPSFHLSA-N 435.462 -0.283 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1779032619 VQZCCHYIVQJXRR-FQEVSTJZSA-N 426.433 -0.457 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779250745 DDFJEABTEACWOP-QVKFZJNVSA-N 431.298 -0.885 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1ccnc1 1784254562 XUTRNSHDMQEBLL-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2ccccn2n1 1787844152 MNBIWTPHLLJPAC-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21 1788610876 YTABGMJLEBJLLR-IWEFOYFVSA-N 440.460 -0.307 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N 1795539223 YYNPBTFECIOWBS-DPIQGUFMSA-N 448.436 -0.794 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1F)C2)c1ccc(B(O)O)cc1 1795735784 DSFWXDDRNCWDDP-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD Cc1ccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c2c1 1796271604 RQABKSNPJZKQFH-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD CC(=O)O[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C(C)C 1797599105 WHRAYJQHULJKMI-WTLGNFPFSA-N 426.514 -0.463 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810093 JMWRLUDVTCHNLY-MNOVXSKESA-N 439.542 -0.979 50 20 IBGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CN1 1829957098 YUFFRXBEFCJYDJ-DETPVDSQSA-N 436.278 -0.341 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831645818 GKXUGDHVHVNDKE-XLIONFOSSA-N 438.717 -0.156 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840862431 GCCHGYZSVDCLIN-DYESRHJHSA-N 448.350 -0.420 50 20 IBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccccn1 17329491 QLENSQYXWYORNZ-HNNXBMFYSA-N 440.503 -0.376 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 742032770 AGXXOOCMBGEPAH-NHYWBVRUSA-N 437.478 -0.309 50 20 IBGD CCc1c(C(=O)NNC(=O)c2cccc(OC)c2O)cnc2c1c(=O)n(C)c(=O)n2C 754229323 PLVBHQJMXORZLM-UHFFFAOYSA-N 427.417 -0.016 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1I 761137445 KUUOLWWENKSXIX-SSDOTTSWSA-N 439.231 -0.110 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 762087290 NNRXABULGXVSLK-SNVBAGLBSA-N 429.393 -0.707 50 20 IBGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNc1nccc(N2CCOCC2)n1 762854491 ATYKPEZVYRJYOT-UHFFFAOYSA-N 431.478 -0.115 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 764276005 VZMOPDCTVUVCED-ZDUSSCGKSA-N 440.412 -0.238 50 20 IBGD Cn1nnnc1SCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766642146 JVVINHXCPFBYGA-UHFFFAOYSA-N 432.510 -0.702 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NN(C)C(N)=O)c(=O)n2Cc1ccccc1 770532197 FZWZLHANPMYFTO-UHFFFAOYSA-N 429.437 -0.904 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1)CC2 783425452 CHSRHOUOXZYUAA-KRWDZBQOSA-N 444.535 -0.928 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786376449 RLFGWDLPAYEAEP-DTDBQYNISA-N 429.429 -0.148 50 20 IBGD CN(C(=O)OC(C)(C)C)[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 795526944 DYCKILROBCDUSZ-STQMWFEESA-N 444.514 -0.154 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c1 814210926 LTYAEUKZHUJBJK-UHFFFAOYSA-N 445.457 -0.306 50 20 IBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915872609 KLMBRNNXVFQAEE-UHFFFAOYSA-N 430.508 -0.732 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccon1)c(=O)n2Cc1ccccc1 920253968 BWTHEVVWXBFZJG-UHFFFAOYSA-N 437.416 -0.123 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778463616 YKXCCAHUSDRJTP-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD CCn1nc(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787288396 JGQTWGBBRYTPLL-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccncc1F 1787754814 CXWVFJPWFHLGSE-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788890109 OLJBAUPTDCXRAX-RCBQFDQVSA-N 448.480 -0.859 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1791291076 KTACTCLAKNISHU-ZVZYQTTQSA-N 443.508 -0.304 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc(Cl)c1 1794755755 YMADFHLXCPWFDN-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796391040 VZEFWUCIAHVJKY-XLWJZTARSA-N 449.932 -0.285 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799349713 KBMYDYMWPLZPPV-SSSAOXCUSA-N 426.239 -0.669 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1O 1800569893 HPKPKXOZCSWQKG-YVWYUNDQSA-N 439.472 -0.163 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1800979426 GNTBDAXIMMPMIH-OQMKEHIESA-N 442.856 -0.400 50 20 IBGD COC(OC)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362036 YSCNMZAPCNIBIU-SJLPKXTDSA-N 427.266 -0.300 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CCN1 1822478464 IFWHWLSPHGGWBU-DYVFJYSZSA-N 439.281 -0.078 50 20 IBGD Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1C 1831975961 VPQXVJKLIZAKNJ-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C(=O)C3CC3)CC2)CC1)c1ccc(B(O)O)cc1 1834797989 LMQBWKLIYJYCNX-UHFFFAOYSA-N 427.310 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835301452 QLOOVMRBHCSLTA-IRLDBZIGSA-N 448.520 -0.451 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1835928667 UQUNGTJINLINFC-HXUWFJFHSA-N 448.668 -0.003 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837396263 AGDAWFKGDPXYIQ-XMSQKQJNSA-N 446.309 -0.991 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838246312 PQZNXTDOXJPKAC-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C([C@H]1ON=C(c2ccccc2)O1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011433 CQWHQZJSCCGUNE-OAQYLSRUSA-N 435.245 -0.082 50 20 IBGD CC(=NNC(=O)CN1CCCC1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729817328 YSUKPGPDRTUUJC-UHFFFAOYSA-N 430.508 -0.125 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746592106 UMKDTAPLWSTBGX-LURJTMIESA-N 434.374 -0.139 50 20 IBGD COC[C@@](C)(O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 754974683 PYVOADADRQOGTQ-GOSISDBHSA-N 429.495 -0.815 50 20 IBGD COc1c(F)cc(F)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757686224 DUEUSQXDHYPGIY-UHFFFAOYSA-N 437.363 -0.427 50 20 IBGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229932 FMYHMMMHNPSQCJ-ZETCQYMHSA-N 436.393 -0.835 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)CN1CCCC1=O 789857336 RFEBTRLSRWVFSW-UHFFFAOYSA-N 433.284 -0.503 50 20 IBGD CN(C)N(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCS(=O)(=O)C1 792855874 UYLYSRRJJWOUDC-OCCSQVGLSA-N 444.535 -0.821 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)NC2CC2)o1 915064048 JQBPHXOXLSPRFS-LLVKDONJSA-N 442.450 -0.965 50 20 IBGD O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783497482 QMVJJAPMMFGIAO-WDSOQIARSA-N 447.366 -0.992 50 20 IBGD CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)CC1 1788195321 XFBJFGXVFMTRQH-YXWQFLTLSA-N 435.338 -0.096 50 20 IBGD Cc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610716 QRRDSKLFEKDITF-ZLIFDBKOSA-N 428.449 -0.111 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794108673 ORBIEZGOCRQYHU-VHKOSHJNSA-N 440.884 -0.818 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1806634012 MDUJCOUDLMBFCU-IMFGXOCKSA-N 436.277 -0.640 50 20 IBGD C[C@@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815295074 ZDPAQLBMNDUEAV-BLLLJJGKSA-N 427.270 -0.093 50 20 IBGD CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830058373 XPNCVLVZANTFMN-FQEVSTJZSA-N 430.465 -0.695 50 20 IBGD CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1830518645 IAPCJQVMZPETHA-DWWSDUFCSA-N 435.481 -0.652 50 20 IBGD CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1830518648 IAPCJQVMZPETHA-WVTHRUQGSA-N 435.481 -0.652 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830539006 YHVXRUWARHKJQD-XJKSGUPXSA-N 430.303 -0.235 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1830737054 CSAUVXJFPXRDGA-CRFBAAHOSA-N 426.901 -0.429 50 20 IBGD O=C(c1ccc(CO)c(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738672 RBQTVHPXZYWZRW-LPHOPBHVSA-N 430.860 -0.012 50 20 IBGD O=C(CN1CCOC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831020203 QURYCXZVRMTXTO-DOMZBBRYSA-N 438.250 -0.415 50 20 IBGD CC(C)(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833285612 MAVOPFMWNAOBQH-HXUWFJFHSA-N 445.369 -0.041 50 20 IBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc1 1833644193 HHTUZPREVDWZSK-VQIMIIECSA-N 426.901 -0.183 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837738745 YIBQSPDZQVSJBO-KHYOSLBOSA-N 426.901 -0.062 50 20 IBGD O=C(c1cc(O)ncn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199333 UMUVHRAYPRSBSA-IUODEOHRSA-N 433.234 -0.057 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840152466 JBWPZZMUOLBIDX-ZWOKBUDYSA-N 440.928 -0.338 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840184035 OOKZCMOSTKRXJC-HXUWFJFHSA-N 426.514 -0.758 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1840185136 KCXGSLXZMRAFKN-NRFANRHFSA-N 434.493 -0.165 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1846561479 HWGBWAYDOJCLDD-MRXNPFEDSA-N 433.513 -0.967 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 17203327 ZCZREOMDNWBLKQ-UHFFFAOYSA-N 428.449 -0.333 50 20 IBGD CCn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 727349850 LVHRPPPBJLNINF-UHFFFAOYSA-N 443.507 -0.453 50 20 IBGD NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728371792 LLFIRESPCRYQBH-INIZCTEOSA-N 449.441 -0.593 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2nccn2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 746344001 KRJIOWITAMFKGC-HNNXBMFYSA-N 433.490 -0.072 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CC2(CS(C)(=O)=O)CC2)CC1 746891733 IKWGORKLEGWZNN-UHFFFAOYSA-N 445.567 -0.324 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2nnc(O)c3ccccc23)cn1 756839049 PZKQNCKKXCXCOU-UHFFFAOYSA-N 428.409 -0.239 50 20 IBGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758046719 JNNWOAPRBNNQMW-JSGCOSHPSA-N 430.552 -0.448 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 764400409 PVBPCVFZAALPIK-GFCCVEGCSA-N 442.494 -0.975 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cccc1C(=O)N1CCSCC1 764435499 WCDNTHDPSBSOHA-HNNXBMFYSA-N 436.490 -0.315 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 773070639 PRINAPXIMBKAHE-UHFFFAOYSA-N 430.446 -0.070 50 20 IBGD O=C(CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1ccc(F)cc1 779623486 OIEGGBFWAPBKQZ-MRXNPFEDSA-N 428.486 -0.287 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCCC1 787542902 SDWXFOYZLILALC-UHFFFAOYSA-N 427.483 -0.873 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCC(F)(F)F)s1 798315734 OZFGTVKRJRJZCS-UHFFFAOYSA-N 431.418 -0.445 50 20 IBGD NC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)nn1 810511739 LILFTGZQEWTYTL-UHFFFAOYSA-N 435.285 -0.179 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914651479 MBQMBDWPPLCMOT-GJZGRUSLSA-N 437.474 -0.665 50 20 IBGD COCCN1C(=O)/C(=C/NNC(=O)C2CCN(c3ncccn3)CC2)C(=O)NC1=S 1318257142 DBQARQOGXHKSDA-ACCUITESSA-N 433.494 -0.913 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777964181 HNFBAGWWQFEEEF-NRFANRHFSA-N 432.525 -0.275 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979486 PAJXTLMWRSYXRZ-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1787052792 BDRCSFXQZGZXFJ-RCBQFDQVSA-N 443.464 -0.787 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)nc1 1792975968 GTUGDAVCDDTLEM-BAESOJJISA-N 431.898 -0.712 50 20 IBGD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799098030 YYUFSQCUOGRCAH-VYCZESIESA-N 433.509 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806696894 ISFGXTDJXNZXHO-UHFFFAOYSA-N 436.513 -0.858 50 20 IBGD O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1807024411 UFODLMQYSPQQQQ-KCQAQPDRSA-N 434.817 -0.588 50 20 IBGD O=C1CCCN1CC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809555734 VYVJQEQHPHQHCH-UHFFFAOYSA-N 427.310 -0.166 50 20 IBGD C[C@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815292899 HZDREYVCRMYARB-WBMJQRKESA-N 427.270 -0.093 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335664 JGQWQTMHDMKEQP-GJZGRUSLSA-N 444.322 -0.037 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735250 FJVXWDVSWKRPNO-ACJLOTCBSA-N 435.905 -0.433 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738091 LPILSPXUOFNNGS-ZSZQSSIHSA-N 427.885 -0.095 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833542363 XNUDSDDYCVLCQK-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1835929481 QNMVAIHGWVZSCS-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD COc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183526 JVMQCMBLZDHXET-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840183532 KSKTWDUSYHQJRI-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD O=C(CCn1ccnn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840447986 PVLQGSIMTVAOQB-UKRRQHHQSA-N 434.266 -0.185 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Br 1848072014 SLCHJQMGSBCMLJ-GMXVVIOVSA-N 426.308 -0.391 50 20 IBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 11670404 JFICODHPQWSJER-UHFFFAOYSA-N 442.498 -0.440 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 725872757 RQHXWOUUDVNYNS-UHFFFAOYSA-N 435.462 -0.243 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)N[C@H]2CCc3ccccc3C2)c(=O)n(C)c1=O 742980912 ATMURUYXFFKWAJ-ZDUSSCGKSA-N 434.547 -0.376 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COCCO2)cc1OCC 744648958 JJIYFITVXBACTL-HNNXBMFYSA-N 431.467 -0.675 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 744653600 YWQGFGMQKDUUIU-OCCSQVGLSA-N 439.446 -0.814 50 20 IBGD COc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c([N+](=O)[O-])cc1OC(F)F 758036400 RMPDQEFADCSHNU-LURJTMIESA-N 426.354 -0.097 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 758048268 RINYORIAGQMHSP-LLVKDONJSA-N 441.491 -0.997 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760442646 NMVDEHOVGYJDMU-LLVKDONJSA-N 446.530 -0.234 50 20 IBGD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764227388 NQYDJHUVSSINAD-WDEREUQCSA-N 427.483 -0.762 50 20 IBGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 764242399 PXIXJCRAKNMYNS-UHFFFAOYSA-N 439.476 -0.044 50 20 IBGD COCCn1nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1=O 766645348 BRSVKCGTQZTHBL-UHFFFAOYSA-N 442.476 -0.891 50 20 IBGD O=C(COC(=O)c1cnc2c(c1)NC(=O)CO2)NNC(=O)[C@H]1COc2ccccc2O1 771096332 DSCJRCPNWKUESE-CQSZACIVSA-N 428.357 -0.443 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772194997 GSARAFMTUYVDKB-RRCSTGOVSA-N 448.863 -0.344 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC[C@@H]2NC(=O)OC(C)(C)C)n(C)c1=O 773206351 FNWBGDAPZOTKID-NSHDSACASA-N 433.469 -0.017 50 20 IBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 776053423 CNLALBCNXXKQRJ-CYBMUJFWSA-N 431.438 -0.315 50 20 IBGD CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 780925085 AYCKTCXAVIGJGT-UHFFFAOYSA-N 427.421 -0.838 50 20 IBGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc21 784002642 UDOBJWOYUYPJIF-UHFFFAOYSA-N 428.405 -0.208 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 784004994 NNIZCHHHCREJCW-UHFFFAOYSA-N 427.446 -0.096 50 20 IBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 787380105 QYFGCPZDDJKGEU-ABPVARSCSA-N 432.502 -0.253 50 20 IBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 809956856 FUBYDTXAZVYRSB-CQSZACIVSA-N 448.505 -0.598 50 20 IBGD COCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 920862373 AIHVPAYXIQXVCP-UHFFFAOYSA-N 441.510 -0.480 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321845426 RHMIWVRMOOJTST-NSHDSACASA-N 435.549 -0.343 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1779032280 IEWAILMWMKZMDB-OAQYLSRUSA-N 441.492 -0.262 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1cncn1 1782528723 JGGKSPFUBLWJAP-RRMPHLOHSA-N 441.297 -0.653 50 20 IBGD CCCNC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933558 QCRYDNYVNMRKRH-FQEVSTJZSA-N 425.530 -0.504 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783941373 BZCOUYCTMHKWLM-OAHLLOKOSA-N 428.338 -0.650 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)no1 1784090597 JAFJIOITNBUJRD-XUXIUFHCSA-N 428.873 -0.109 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784609513 QTCPJAZZDLCCGY-OAQYLSRUSA-N 425.250 -0.969 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N 1795585334 YEWYPKKTJPECGA-NNGSTNBRSA-N 449.537 -0.273 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795732283 OFPJKYRYIRDGIZ-XHSYRHOGSA-N 439.270 -0.596 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2cccnc2[nH]1 1797457315 NHSCZNZPYGKKPJ-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1804743697 JLRHBQSHRBKHMQ-VQIMIIECSA-N 434.265 -0.477 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808261473 KEIIZEKYTYAPQH-JZKQFEGJSA-N 440.508 -0.493 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343799 PVHBVVWQVGHLPI-ZFWWWQNUSA-N 442.306 -0.331 50 20 IBGD CS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1817054348 AMSMUIWVQRNHQN-CQSZACIVSA-N 449.493 -0.241 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832944521 FQYGYSRLYXKFEH-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840154670 CFOYIXJDOLVXIA-KXBFYZLASA-N 442.900 -0.175 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187874 BZNXXMHUCHHSMY-QGZVFWFLSA-N 431.081 -0.760 50 20 IBGD CNC(=S)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 16310829 WJMVMBFHMWVPJX-UHFFFAOYSA-N 445.505 -0.821 50 20 IBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732326741 VZMIXFANKOVGJE-ZDUSSCGKSA-N 428.423 -0.287 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)nc1 753668944 ILZRLKQOXWIIBJ-LBPRGKRZSA-N 434.544 -0.324 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 764003777 JEJNLVMJQXCVOG-KRWDZBQOSA-N 440.412 -0.241 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 764325294 IIFAHSHJEOUYCB-CHWSQXEVSA-N 442.494 -0.393 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)N3CCCC3)CC2)cc1 765119459 XARNLOQAAANRKR-UHFFFAOYSA-N 445.567 -0.737 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2SCCc3ccccc32)n(C)c1=O 766643002 ILOFBEYIXIZYEE-OAHLLOKOSA-N 428.474 -0.388 50 20 IBGD COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)CN(C)C)cc2)C1 775468986 ZBMDEDVATSXCNN-ZDUSSCGKSA-N 441.510 -0.025 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 784002193 AOCOJPJELFSLRX-UHFFFAOYSA-N 442.520 -0.073 50 20 IBGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004612 YVTWBNIZSVWQRY-UHFFFAOYSA-N 438.487 -0.024 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 810345410 HBJAOZMOCVMJAD-SSDOTTSWSA-N 447.322 -0.643 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)[C@H](C)O)cc1 816874238 YIZBNVITRAWMAG-ZENOOKHLSA-N 436.494 -0.976 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829621 HABKJRUAOUUWDL-KGLIPLIRSA-N 439.490 -0.353 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 920423834 GSIVTAYWXSMAPO-STQMWFEESA-N 425.463 -0.743 50 20 IBGD Cn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)n1 1779371195 PRFKQPCNJUXBGG-DYESRHJHSA-N 441.492 -0.140 50 20 IBGD CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781789699 OZXHTWPAWBRYMT-YYFZDKIDSA-N 425.530 -0.602 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213441 RGNIVEQNMKZXKL-OXQOHEQNSA-N 425.530 -0.601 50 20 IBGD Cc1onc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1C 1797748675 RKRPCQCEJDKLKA-FVCICTRLSA-N 428.449 -0.193 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798015633 WMGUKLMTMRNTLN-FVCICTRLSA-N 427.465 -0.458 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800757781 VARDSMYUWUKYPN-OFTGVCEQSA-N 440.360 -0.313 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccc(O)nn1 1805267900 MWCNHIFEVLGBQT-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD Cn1ncnc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805279808 VGLSCTUJMHOWIV-RHSMWYFYSA-N 449.475 -0.158 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825994919 QSWKRJIICSTMKI-DTWKUNHWSA-N 429.886 -0.139 50 20 IBGD O=C(Cn1ccnn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055399 YILCCDIPTVVIKM-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NNC(=O)C2)CC1 1828924054 IAZSDFHHDJTRAL-QGZVFWFLSA-N 441.492 -0.206 50 20 IBGD O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731169 IILCCEFDWAFCPE-KDOFPFPSSA-N 426.857 -0.924 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831697117 PXNGZCZYKZTNQH-KXBFYZLASA-N 433.933 -0.141 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnoc1 1835147333 GGEFDQPGMXHARE-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835925327 BKZGXGZTBLGJOJ-INIZCTEOSA-N 445.263 -0.709 50 20 IBGD O=C(c1cccc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931329 MTTZWMAGEHWHES-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933697 AKNRGVKVQWGHFB-YLJYHZDGSA-N 438.717 -0.156 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835939797 INAKOVZYPCYIPI-KRWDZBQOSA-N 431.081 -0.760 50 20 IBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839072938 KHOIXYKQSKZHNH-IFXJQAMLSA-N 449.932 -0.044 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840032300 URELOYAUNGPMLY-YOEHRIQHSA-N 434.331 -0.442 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1 1840185259 NHKVVWPEZXVHDF-LAUBAEHRSA-N 435.525 -0.122 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844384945 RXGBVCMBLWJLKN-DXRSZSRVSA-N 432.481 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844625688 PJGADNHKABSKKX-UHFFFAOYSA-N 432.506 -0.054 50 20 IBGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)CNC(=O)c1ccco1 735585611 HCBSCIWPASXOSR-HNNXBMFYSA-N 429.481 -0.055 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC2 763471197 STMLAYNMZYYVFC-UHFFFAOYSA-N 447.429 -0.147 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2coc(-c3cccs3)n2)n(C)c1=O 765724533 LHOMVQCURBRPRV-UHFFFAOYSA-N 443.445 -0.460 50 20 IBGD C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)c1cccc(F)c1 765729674 XKWPROLOPQSBAF-NSHDSACASA-N 444.423 -0.371 50 20 IBGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793221744 ORYCVOLKRPBHIK-CQSZACIVSA-N 427.483 -0.333 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 871631840 LYPIXUPRWSUMLF-CQSZACIVSA-N 436.490 -0.059 50 20 IBGD C=CCNC(=S)NNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 913435817 WMTNPJFOXOMSRB-UHFFFAOYSA-N 428.536 -0.060 50 20 IBGD O=C(Cc1cnc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1777992473 LZOBZBVEEBHNSQ-WIYYLYMNSA-N 426.282 -0.540 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779031571 BOHUTMBXFOOTEL-NRFANRHFSA-N 440.460 -0.154 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1779293871 FQETWHQPJFOCPA-GOSISDBHSA-N 447.630 -0.602 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787046038 YTBIFOBPRPKDRT-BZSNNMDCSA-N 432.525 -0.238 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788717678 BVODWVDHVXAJCD-XIRDDKMYSA-N 446.508 -0.627 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1792871455 ZMPDUFPQJWFHSP-PNBKFKSVSA-N 431.375 -0.146 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(F)cc1)C2)c1ccc(B(O)O)cc1 1795734313 CZUWBWIQLZLZOE-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD CC(C)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(C)C 1795737529 RTVPAKFEHYITKU-HNJRGHQBSA-N 431.342 -0.408 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740682 IEEXWSRPPBMLJJ-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009210 RWUAKEFWVFCRAU-NFFDBFGFSA-N 433.347 -0.020 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804096452 VIJXSEONNRUNND-ZQIUZPCESA-N 437.884 -0.107 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc[n+]([O-])cc1)CC2)c1ccc(B(O)O)cc1 1815343767 ODYGSLVOZBKTKZ-OAHLLOKOSA-N 438.274 -0.004 50 20 IBGD O=C1CC[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CN1 1815347637 HVQJRKCGQMHPSL-TZMCWYRMSA-N 442.306 -0.425 50 20 IBGD O=C(Cn1cnnn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053034 UAKOPFOPJOMCSC-GOSISDBHSA-N 426.286 -0.714 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835592574 QLUDAHDNCLARAC-AVBTWRTFSA-N 448.524 -0.872 50 20 IBGD N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1837461332 UOWQRIKLKLQCDJ-OAQYLSRUSA-N 442.476 -0.551 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186768 OJMXFRMLUNIOAX-XHDPSFHLSA-N 431.338 -0.073 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)N2CCCC2)cc1OCC 725714789 ZFZBQYXQYUIWML-UHFFFAOYSA-N 442.494 -0.468 50 20 IBGD O=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 728330793 RLHQKKWBJPDARQ-YOEHRIQHSA-N 443.412 -0.692 50 20 IBGD O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1cnn[nH]1 729455544 KQYYVWRQTHKQKA-UHFFFAOYSA-N 438.466 -0.124 50 20 IBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 732475057 RIOTWNFHOXXATQ-MRXNPFEDSA-N 438.554 -0.339 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 756708331 SIQCXSOYFHIMGD-SSDOTTSWSA-N 427.892 -0.198 50 20 IBGD COc1cccc([C@@H]2[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC(=O)N2C2CC2)c1 758056734 SOOJYFOIAUUHHH-RGYTYGDFSA-N 438.506 -0.168 50 20 IBGD COCCS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766670292 WPVGXLCJCIKBRD-UHFFFAOYSA-N 446.957 -0.334 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 784003269 COUSLPQBJNGLIV-UHFFFAOYSA-N 427.446 -0.096 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cncnc2-c2ccccc2)n(C)c1=O 810593085 SKQPXJUHXGVZIL-UHFFFAOYSA-N 434.416 -0.648 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912953133 QJKPYBDMSTZRNV-OBJOEFQTSA-N 427.454 -0.224 50 20 IBGD CS(=O)(=O)c1nc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2ccccn12 921166010 BMOLJWDYHBJCOO-UHFFFAOYSA-N 426.418 -0.212 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2nc3ccccc3s2)n(C)c1=O 1116294707 PVBOBISYRIHGHG-UHFFFAOYSA-N 441.473 -0.176 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1318666758 WLPBEBIHZPKUNR-JTQLQIEISA-N 425.435 -0.257 50 20 IBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)CC1 1321470351 JDIHMYHFFNRATA-UHFFFAOYSA-N 433.531 -0.145 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778443400 GZVPZIOQTHHQPU-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031729 XDTUIZHFXBMJDV-FQEVSTJZSA-N 427.465 -0.341 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779326493 XPDIXPRZDDOMLC-AOMKIAJQSA-N 438.293 -0.295 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332422 YIFXSXRQLJROLC-RBZYPMLTSA-N 426.239 -0.429 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785154697 IYZVSXVQYQRNRF-WJTVCTBASA-N 445.314 -0.262 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788656346 PZWGKIIVIULGPN-PQKJENKHSA-N 448.358 -0.210 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@H](O)CCl 1792978538 YXIXYLSTGXHOIV-ZDFLXESQSA-N 434.880 -0.031 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3cncc13)C2)c1cccc(B(O)O)c1 1795738798 GRBJZPXWOSMYBI-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740276 NCVRYFLXLFUDQI-DFYYWFRZSA-N 438.293 -0.535 50 20 IBGD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)Cc1ccccc1)C2 1796342572 KSZAIKPISKOOBU-QEOTZNIISA-N 439.354 -0.132 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nonc2c1 1796883917 MWTXSCSCBMNRJD-HBCWATKFSA-N 430.465 -0.201 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2nccnc2c1 1797054537 HYSWZAXSONNECN-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1F)C2 1797750441 DQMLZTVQPJDLCA-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCCC1=O 1802162449 LVXUSQPQQJMHIX-QDMKHBRRSA-N 428.493 -0.051 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838910671 YAWNGRDLMOUTHR-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049417 VSULYUONMDTIMW-NXWNEQKCSA-N 444.293 -0.996 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)n1 1843011625 XFRMJCLJKCEXSV-UHFFFAOYSA-N 438.293 -0.516 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2)NC(=O)NCc1ccccc1 1845039592 CGPDPXXYWZZWJX-UHFFFAOYSA-N 431.497 -0.796 50 20 IBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 729456058 OYSLSBUDCMIIAL-JTQLQIEISA-N 428.858 -0.010 50 20 IBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 748281139 XLIQEOAWAYHUIL-SFHVURJKSA-N 446.485 -0.065 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 762964362 MVNYQBFFGZDIIZ-CYBMUJFWSA-N 434.474 -0.013 50 20 IBGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763821917 ZSSJUDMJZDMYJL-UHFFFAOYSA-N 430.812 -0.090 50 20 IBGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764435413 UXEFQAORZWTPOV-BXUZGUMPSA-N 428.467 -0.735 50 20 IBGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CN(C)CCO1 770436938 DIIVPRJEXXHVDT-ZBFHGGJFSA-N 441.558 -0.637 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)[C@H](C)O)cc1 779526455 AJUHRFMDBGTPSM-SWLSCSKDSA-N 435.462 -0.796 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(OC3COC3)cc2)n(C)c1=O 782094805 OVDUDSQLAJNILA-UHFFFAOYSA-N 443.420 -0.936 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCc3cnn(C)c3C2)CC1 799100430 RSXWANCKGGXAKD-CQSZACIVSA-N 433.538 -0.001 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 914897364 DAKVCUIPODOHKP-UHFFFAOYSA-N 448.885 -0.432 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783991109 VOXSZCUSWDQOHD-YTFOTSKYSA-N 449.932 -0.549 50 20 IBGD O=C(Cc1ccc(O)cn1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784640814 KDYNEKVJCJOWQJ-OAQYLSRUSA-N 425.250 -0.847 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)O1 1788611387 YUDQWXPZKWXVAK-QXBKKUCYSA-N 431.493 -0.154 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccccc3n1)C2)c1ccc(B(O)O)cc1 1795734639 WUOCMAGFVVZSAX-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)no1 1798203515 DJBYJSGBXUKOHQ-WVTGSVNBSA-N 430.421 -0.283 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H](F)Br 1799346648 UUYROGZRHWJQRE-ZMJPVWNMSA-N 429.051 -0.740 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807196972 ZMYVPBOGXNNGRU-JYYAWHABSA-N 425.917 -0.066 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1810303654 ULGSARZXQMTVFV-DNVCBOLYSA-N 449.475 -0.309 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1830046712 IELVZEJVLUQQOV-DLBZAZTESA-N 439.340 -0.050 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830731193 HSUMAYFSINRBCA-DNVCBOLYSA-N 426.901 -0.183 50 20 IBGD O=C(c1cnc2snnc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731765 MMQGESDIMPLPLA-GUYCJALGSA-N 441.897 -0.244 50 20 IBGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1833429622 CSYSPRKNDPJVKI-KSSFIOAISA-N 428.873 -0.455 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342166 MGBLUZLXVJWZAV-SGSZHJQISA-N 442.476 -0.119 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3cn[nH]c3)CC2)CC1 1835736971 OIEJKRNOININKU-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837456091 INAJBEWLGHIGBQ-NRFANRHFSA-N 427.461 -0.832 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C3CC3)C2)C1 1837456413 MHQTVMQHSDVNJI-YEFOHOTDSA-N 429.477 -0.279 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)[nH]1 1837457021 VVZOYIINVVETMD-FQEVSTJZSA-N 443.464 -0.900 50 20 IBGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 728384767 LIERFQAWNDEGIT-SEDUGSJDSA-N 428.511 -0.295 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N[C@H]1CCCS(=O)(=O)C1 758651405 USNKBWAFDXBKQT-AWEZNQCLSA-N 444.535 -0.008 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 763651188 WHMQMYQHVKRGDE-UHFFFAOYSA-N 428.449 -0.057 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 767824037 VTTWSDIYSARGHO-KFWWJZLASA-N 437.522 -0.128 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 770952857 PQRUFBWHDIMQPQ-GFCCVEGCSA-N 449.489 -0.280 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782343220 VJYRIPSHZIWKKY-QKCSRTOESA-N 431.442 -0.561 50 20 IBGD C[C@@]1(NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CCS(=O)(=O)C1 783423731 ACEWCJTVXROGJL-LJQANCHMSA-N 434.474 -0.171 50 20 IBGD O=C(COC(=O)Cn1cnc2sccc2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 819041274 CCZNKRBKTPVLMD-CQSZACIVSA-N 444.425 -0.011 50 20 IBGD O=C(NNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 1323599517 RMHUWPOBHFHZJC-NSHDSACASA-N 425.435 -0.045 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782360587 RUXSBSXNRFYOMY-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783934294 DBZJGYDHYCTBSJ-QUCCMNQESA-N 426.514 -0.223 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784508059 WOEDFQCMSOQWQT-JOCHJYFZSA-N 440.309 -0.597 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)Cc3ccccc3)[C@H]2C1 1790957396 IHRGDMKDMKKONA-HAGHYFMRSA-N 446.548 -0.057 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 1791293962 SDZSQEJEWIJXOM-ZVZYQTTQSA-N 446.552 -0.125 50 20 IBGD COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795203735 ZMYWCSUNGKJNIN-XEMDLRDOSA-N 433.509 -0.431 50 20 IBGD COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1C 1795732474 KDYXGLORMITLFE-IZZQQSIFSA-N 439.277 -0.405 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1O 1798023219 FYRUCKYQCVAFJU-DPIQGUFMSA-N 426.433 -0.697 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362693 HJZNPIRPCUXORF-NQIIRXRSSA-N 433.277 -0.022 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1810088995 VFVZSHGIWURJJH-KNCOVGOOSA-N 428.873 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822374961 AGICRTFCKWSDAL-ZFWWWQNUSA-N 431.921 -0.058 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1cccc1C=O 1830724575 YGWXQLNXCCFBII-OGWOLHLISA-N 427.885 -0.082 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1)c1cccc(B(O)O)c1 1834801188 PPOMYDJLRIXJIH-UHFFFAOYSA-N 427.270 -0.752 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836749238 VERRLVHPPVXFKM-ZWDAVXSWSA-N 430.310 -0.127 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(=O)O 1837711266 ARZSAOBHKJGFSN-RDTXWAMCSA-N 431.562 -0.643 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cnnn1 1839203395 JZDNRMDAEPFOBE-GYSYKLTISA-N 435.254 -0.619 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184094 RJYVXEZYNJRSHY-QKYXUNIQSA-N 427.546 -0.811 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)o1 1840506826 USEMKLFNCNMZMI-QFIPXVFZSA-N 442.277 -0.419 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3)=NN2)C1 1845742223 OEQHXEAFDYWHBI-FQEVSTJZSA-N 432.289 -0.050 50 20 IBGD COCCn1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1=O 21779050 HJIJALGOXZZGSW-UHFFFAOYSA-N 437.478 -0.720 50 20 IBGD NS(=O)(=O)c1ccc(CCNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725872035 MYDAWROZAMJTRN-UHFFFAOYSA-N 425.492 -0.302 50 20 IBGD COc1ccc(-c2nnc(S)n2CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729274771 CLOLJFJVQZGYDI-SNVBAGLBSA-N 442.523 -0.282 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N[C@@H]1CCS(=O)(=O)C1 732061079 BAWXHCSLQGRUPU-NXEZZACHSA-N 445.479 -0.222 50 20 IBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 743293405 YJJJKGOXPIINQJ-SRABZTEZSA-N 439.428 -0.109 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)N1CCOCC1 745992214 WMGRQTBDWDSKSO-UHFFFAOYSA-N 428.467 -0.597 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 758035058 JQCOYCJFTKGWJG-MNOVXSKESA-N 426.524 -0.007 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 758037002 XISVWEWYSRAXJB-VXGBXAGGSA-N 446.913 -0.348 50 20 IBGD COc1ncccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763737140 OQEDCHNMCNFGPG-UHFFFAOYSA-N 435.462 -0.195 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 763993224 LZXCAFNSFGFDHI-UHFFFAOYSA-N 449.489 -0.246 50 20 IBGD Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CO2 770247266 RWCQTOYAYJQNEM-CYBMUJFWSA-N 426.433 -0.626 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 779846714 OJDQNCHJNGBNMQ-UHFFFAOYSA-N 434.496 -0.473 50 20 IBGD Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 799259232 RMXWHENVHDQPHA-SNVBAGLBSA-N 442.885 -0.142 50 20 IBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 813486842 BUTRYWUXZWVVJD-KRWDZBQOSA-N 439.944 -0.262 50 20 IBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 913573075 PUQQXTYEGXOANE-UHFFFAOYSA-N 429.458 -0.019 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778691445 AWXOLLDWZUJALM-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779029125 RCFFIYVORNNIJP-IBGZPJMESA-N 429.437 -0.937 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cc(=O)nc2cccnn12 1780038588 YMCZRHYHVXZBBN-STXHMFSFSA-N 449.895 -0.183 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780219502 MRYLENYQELEHTI-OXQOHEQNSA-N 437.497 -0.333 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782360508 MDHGQSDAURHGGD-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1783935277 RLIVESVZWLCHGJ-HNAYVOBHSA-N 438.554 -0.784 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1783936152 RSXNOOHETYDFPW-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980867 BRWXFZLDXVTGFU-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)no1 1791534940 GGOFAXBYHCBMSU-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793945150 IHKYVJUBXFRWJR-UGCHFJIKSA-N 431.287 -0.652 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794036441 RUUZATVZIGDJAQ-LOUJCGABSA-N 426.901 -0.022 50 20 IBGD Cc1c(F)ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1N 1795700579 IXZFQPYVLZPRSH-YVWYUNDQSA-N 441.268 -0.087 50 20 IBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795732913 SIWUIVRWRKCLLP-CWLGOENISA-N 444.293 -0.841 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3cncc3c1)C2)c1cccc(B(O)O)c1 1795739291 ZWEOEEADZKVJLY-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)c1ccco1)C2)c1cccc(B(O)O)c1 1795740523 DWJBHNDLXDMESI-XOIINTDNSA-N 434.204 -0.045 50 20 IBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccn1 1798122618 LQGJLTUZLIUODE-ZSBFGKGUSA-N 440.460 -0.394 50 20 IBGD Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1Cl 1798347103 JXIQJKCFLDSBGJ-YWVIFJGQSA-N 432.673 -0.730 50 20 IBGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC(=O)NN(C)C)cnn2c1 1801011727 YGTZGHAHMCGOSY-CCWDJLKJSA-N 443.508 -0.386 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnnn2C)[C@H]1c1cccnc1 1813070040 DKLSEYVRAZMHBN-KXBFYZLASA-N 428.497 -0.097 50 20 IBGD CS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817054476 LSYIZCXXEHLDNI-HNNXBMFYSA-N 434.283 -0.560 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1819800188 MQKKAIALSXKBRS-JTQLQIEISA-N 434.478 -0.624 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1829744924 AUVSTWQKYHAAQL-UZLBHIALSA-N 440.541 -0.633 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829918316 BZUHNHIWXPXWQW-DYESRHJHSA-N 447.492 -0.676 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)o1 1830731580 MMEQYIDNIBYPMW-FZKQIMNGSA-N 429.857 -0.092 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(C)(C)C 1831081979 AGAQIUPQHSXGOU-SPYBWZPUSA-N 433.933 -0.407 50 20 IBGD CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833660010 PMBRYPAXUKWQPM-APWZRJJASA-N 426.901 -0.183 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835445570 NEUJCIRRGKVOJE-KDYLLFBJSA-N 444.536 -0.359 50 20 IBGD O=C(/C=C/c1ccoc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927506 QNXVWJUWFNISPQ-XCVUWMKJSA-N 440.261 -0.257 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930233 DHAYVGPQGZPIQV-WVBUVRCRSA-N 430.310 -0.127 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1837275068 DAJIFCPGEIWZIH-SWLSCSKDSA-N 449.281 -0.534 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715247 DWUALBKZXYXRFR-GOSISDBHSA-N 446.646 -0.222 50 20 IBGD COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)(C1)C2 1840004609 HMXDNVIGRHEMSH-LUPGOKSRSA-N 430.885 -0.614 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840156606 WPOYSMOBXNSLJZ-RDTXWAMCSA-N 434.921 -0.930 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840284335 FOYZUVUEIAJLEK-MRXNPFEDSA-N 432.616 -0.732 50 20 IBGD O=C(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)NNC(=O)[C@H]1COc2ccccc2O1 728323030 RLWMGMOTTRMOOK-OASPWFOLSA-N 445.350 -0.026 50 20 IBGD NS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728339592 CKVPLXVZLWNQGV-INIZCTEOSA-N 449.441 -0.381 50 20 IBGD CS(=O)(=O)CCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 729157656 DGMPEHDDMGQPCQ-UHFFFAOYSA-N 434.565 -0.375 50 20 IBGD CC1(Cn2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)nn2)COC1 759958200 YVCSIPDUTKQIKF-UHFFFAOYSA-N 441.492 -0.466 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cncnc1)c(=O)n2Cc1ccccc1 760829325 XRNHMPNENPVAIW-UHFFFAOYSA-N 448.443 -0.321 50 20 IBGD CSc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 765730469 KKYTVUIFADHAQW-UHFFFAOYSA-N 447.433 -0.475 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 771901333 CJJJBWJSJZUIKL-NSHDSACASA-N 428.467 -0.727 50 20 IBGD C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 790482769 CZXMOFHCBGRNQI-INIZCTEOSA-N 428.854 -0.639 50 20 IBGD Cn1cc(F)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030939 ZDOIENPGMKFFIS-FQEVSTJZSA-N 430.440 -0.080 50 20 IBGD CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781787066 NDFOQMWAPDKJGM-FIKMYACPSA-N 431.298 -0.982 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781812793 JYFRJBZXIWKEPZ-OAQYLSRUSA-N 442.233 -0.760 50 20 IBGD Cc1noc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)n1 1782211933 HBXHUPZEMKQWHG-FOIQADDNSA-N 436.513 -0.193 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21)c1cccc(B(O)O)c1 1786983545 WVCDSBNLZUYZQZ-QEJZJMRPSA-N 440.208 -0.930 50 20 IBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1798104604 DPLMGMBZYNZABT-IVWMJMPLSA-N 440.460 -0.394 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnn1 1807368155 ZLSMKDYSKURKRG-MOXGXCLJSA-N 448.292 -0.066 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830560292 ZQIMZTYCHFODFO-VGOFRKELSA-N 428.294 -0.207 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833967022 PMSWDINILVLPSN-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736402 PKXINZABFLDPJC-IUODEOHRSA-N 446.390 -0.066 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834939047 AUTKIXZNHSIVAG-INKLHFNDSA-N 434.497 -0.862 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1835935055 DDKHQEVSTFJBNT-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188431 IZWPRTGTWCKQHK-MLGOLLRUSA-N 426.297 -0.602 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)ccc21 1843013897 ADNADZSXLZWJJH-UHFFFAOYSA-N 448.288 -0.312 50 20 IBGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 23787598 ZVYZNHADUNVPON-UHFFFAOYSA-N 431.434 -0.081 50 20 IBGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cnn[nH]2)CC1 729456074 PUJOWXIZMVVJBU-UHFFFAOYSA-N 436.450 -0.547 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 732263087 ZXGFEPJBSQIBBD-HUUCEWRRSA-N 442.538 -0.128 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)c1ccnc(C(=O)NNC(=O)Cc2ccccn2)c1 746221224 SQISLBISSQXVRF-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1OC 746497906 UYSAICCMVRLZPH-FQEVSTJZSA-N 433.465 -0.225 50 20 IBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1=O 754822198 FVLOPDWNUAPTHP-INIZCTEOSA-N 443.869 -0.531 50 20 IBGD O=C(NNC(=O)C1CCCC1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764071689 XQOJTSFTQGMIOV-QGZVFWFLSA-N 430.461 -0.023 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CCc2ccc(Br)cc21 764228647 ZMJXTGBIWITEMY-MRVPVSSYSA-N 433.284 -0.577 50 20 IBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 765734625 AQVUFDHLVHYYHU-UHFFFAOYSA-N 436.534 -0.193 50 20 IBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 766275330 HYICMOOKSHWHTK-LSDHHAIUSA-N 425.511 -0.139 50 20 IBGD CN(C)CC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771566636 PHJJSVJSABCPSB-MRXNPFEDSA-N 426.271 -0.075 50 20 IBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 777273663 DDJCXYYRBMDMOI-CVEARBPZSA-N 444.510 -0.299 50 20 IBGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 798159676 WIERIRFOVLGXAM-UHFFFAOYSA-N 435.414 -0.105 50 20 IBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)=NN1c1ccc(F)cc1 913081884 JYGJIBYHYMUBCW-INIZCTEOSA-N 437.395 -0.317 50 20 IBGD CCn1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1C 1779717076 PZRHCVKJBANPHX-NRFANRHFSA-N 426.282 -0.351 50 20 IBGD O=C(CCN1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1783317875 IENMLMIZAHIVQP-NFBKMPQASA-N 443.353 -0.020 50 20 IBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1791394995 ITSFRWXJDYJXDM-VEABSNGSSA-N 432.246 -0.418 50 20 IBGD CC(C)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C(C)C 1795717803 AKKORKUEEQMCDI-WOUAJJJCSA-N 425.574 -0.028 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cccnc3n1)C2)c1ccc(B(O)O)cc1 1795734375 NAAHXVSXKYVXQD-XEMDLRDOSA-N 446.272 -0.173 50 20 IBGD NC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795734409 GUIKBTHWGQIWLA-KOUHRCEDSA-N 437.305 -0.688 50 20 IBGD CN1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)C1 1797753001 QDUPKAKFUUWDBE-AFIMGQEJSA-N 430.509 -0.770 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)Cc1cccnc1)C2 1798440125 BRSUMFGDHRJGIQ-RCJHGTSTSA-N 437.504 -0.098 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745474 XMNWZAFEICRVEI-FVCICTRLSA-N 428.210 -0.880 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807692022 IUFTUCLBJIQBRP-UZLBHIALSA-N 428.497 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(C)(=O)=O)CC2 1826085100 DGEGQVZZQXKMOG-SNVBAGLBSA-N 431.540 -0.527 50 20 IBGD CN[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1827050787 GLYQNRJGCMJKFT-RTBURBONSA-N 445.325 -0.338 50 20 IBGD Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831829462 JJLDWBVKQFOAQS-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833834342 UHHYIKUDRNJBHR-IUODEOHRSA-N 433.234 -0.057 50 20 IBGD O=C(CSc1ncccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836110050 XDGICDBKHMSNQA-SUMWQHHRSA-N 430.914 -0.375 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836973555 VXNRCEMONBIWIO-IFXJQAMLSA-N 442.900 -0.011 50 20 IBGD Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840184344 HNSOWYFTZSVECQ-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840548844 DQJWKUJBTPZOPG-HNNXBMFYSA-N 441.344 -0.338 50 20 IBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)o1 746215230 KKZPEXUSGAGMGT-UHFFFAOYSA-N 432.361 -0.281 50 20 IBGD COc1ccc(C(=O)NC2=S=C(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C=C2)cc1 757546136 OWGQBAPBMPPBIG-LBPRGKRZSA-N 437.499 -0.388 50 20 IBGD Cc1nc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(-c2ccccc2)o1 759954841 ILHHRGJZVAOMSU-UHFFFAOYSA-N 437.416 -0.142 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](O)c3cccnc3)CC2)cc1 768292109 UYQXVVCZOLCQKY-IBGZPJMESA-N 447.517 -0.423 50 20 IBGD CCOC(=O)CNC(=O)C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 771952176 ZTJSFUVTUNYWMS-UHFFFAOYSA-N 444.452 -0.592 50 20 IBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 772963984 MXHHNYARNRMCCF-JTQLQIEISA-N 434.840 -0.298 50 20 IBGD C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 776236235 ZPBQKFXBXFMMRC-IAGOWNOFSA-N 436.490 -0.168 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783428756 XGNYISMCUGKCRF-KRWDZBQOSA-N 446.551 -0.146 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NN=C1COCCOC1)c(=O)n2Cc1ccccc1 814745782 HCCGFZLERQRIKV-UHFFFAOYSA-N 440.460 -0.053 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1784813035 KORJYSIKZDVCOC-QVKFZJNVSA-N 431.493 -0.055 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1n[nH]c2c1CS(=O)(=O)C2 1787150965 JSOAKKODFSYJMD-NUZBWSBOSA-N 446.913 -0.969 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccn2ccnc12 1788365865 DFMZGKNESAECRE-VDGAXYAQSA-N 448.288 -0.079 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291272 RBGWBPQFDODMRK-QAETUUGQSA-N 447.540 -0.370 50 20 IBGD CS(=O)(=O)Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792976592 YDLGRHVWAXKNIN-VZAMPYOESA-N 445.925 -0.571 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc13)C2)c1ccc(B(O)O)cc1 1795734480 JDDYWLGRGSHTEE-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD CC(C)n1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795738865 JXBQMMVEXGJKMB-SCAQPMJSSA-N 427.270 -0.944 50 20 IBGD CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097263 LOMVYQDZGNKETJ-PHXBYCTMSA-N 447.536 -0.043 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](N)c1cccnc1)C2 1801013431 WHKNSIBIHPHBDL-KYFSNAEOSA-N 432.525 -0.566 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1802333520 ZTZYJPQYWQHLAO-CLLJXQQHSA-N 430.469 -0.958 50 20 IBGD O=C(Cn1ccnc1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354810 GIJBWWYPNYCUHU-CQSZACIVSA-N 425.279 -0.055 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1)c1cccc(B(O)O)c1 1817476857 SSJSSIKWPOFJCT-INIZCTEOSA-N 436.237 -0.208 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)c1cc[n+]([O-])cc1 1821048042 VFTDEWGOFNHWLJ-OAHLLOKOSA-N 438.274 -0.004 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCc1nc(N)n[nH]1)CC2 1826087457 COVLHGALWLTZSI-SNVBAGLBSA-N 449.541 -0.239 50 20 IBGD O=C(CCn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826269 IMABWAXMHMTPAU-INIZCTEOSA-N 430.303 -0.090 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838634236 FSJAFPHRXNHDNH-MRXNPFEDSA-N 429.271 -0.375 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838655061 RCPWSCDSCCAJSV-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1(F)F 1840826011 ZCIDMCMBDAEKDD-RTBURBONSA-N 438.236 -0.518 50 20 IBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1csc(N2CCOCC2)n1 727764712 INEJMESAEQJESF-CYBMUJFWSA-N 438.491 -0.529 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 729276754 LKYLZFMCGHFHAX-RLFDGXBXSA-N 431.515 -0.792 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(Br)c2)n(C)c1=O 742771560 ZQXFHKFFNRJLEF-UHFFFAOYSA-N 435.238 -0.343 50 20 IBGD CCOC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755833098 WEZGSMDDVFOABV-UHFFFAOYSA-N 443.420 -0.537 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1C(=O)OC(C)(C)C 764226393 IBFWMTLZFVNIBP-NSHDSACASA-N 442.494 -0.026 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 779832971 VVYICZFOSOHVRT-NSHDSACASA-N 441.491 -0.419 50 20 IBGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c2ccccc2c1=O 800747652 NJQBAVIVAXCIHC-SMDDNHRTSA-N 436.494 -0.405 50 20 IBGD CSC[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 919886241 RQDFECLZTKQZKB-WUHRBBMRSA-N 446.551 -0.589 50 20 IBGD CC(C)n1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1780380779 LWPOOBUPAYKHTN-OAQYLSRUSA-N 426.282 -0.099 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1788764971 ZBDIEZNQBGDOFZ-NBOOPKSLSA-N 429.590 -0.532 50 20 IBGD Cc1ccn2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cnc2c1 1795736314 YFOHESLXIJWERU-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799152167 AWMJBBUALJZKPF-OVNJDOEUSA-N 449.552 -0.650 50 20 IBGD N=C(N)SCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807000778 HPHQFDOTOAOZNS-MAUKXSAKSA-N 441.322 -0.292 50 20 IBGD CC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801250 VSWPTEDDOXAQBY-UHFFFAOYSA-N 429.326 -0.079 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835597994 RCIXENTVTWIHHS-QKYXUNIQSA-N 427.546 -0.811 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836713879 NDWLYWMSSKUBSK-MRXNPFEDSA-N 441.912 -0.100 50 20 IBGD CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455712 FDXZNAAIQDZGOW-FQEVSTJZSA-N 430.465 -0.695 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C)C(=O)c1ccc(Br)s1 729277328 ZERFKXDLIZALBQ-ZETCQYMHSA-N 441.329 -0.332 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCCN2C(=O)CNC2=O)nc1 731118769 VGGIIBYXMRJCPZ-UHFFFAOYSA-N 427.487 -0.320 50 20 IBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C(=O)N1c1cnn(C)c1 743588515 BASBMVGABGKZOC-CJNGLKHVSA-N 441.496 -0.049 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cnc2n(C)c1=O 746941855 JZZJLSIFTZHTLW-UHFFFAOYSA-N 445.819 -0.096 50 20 IBGD C#CCOc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756480291 UTMPNCAORVCRPD-UHFFFAOYSA-N 425.405 -0.701 50 20 IBGD CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764428413 HJGIDXWWRXPURI-ZDUSSCGKSA-N 428.467 -0.735 50 20 IBGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3ccc(=O)n(C)c3=O)n[nH]2)cc1OC 765596898 AUBSHFFNRMIUAF-UHFFFAOYSA-N 428.405 -0.585 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 766872189 XYBAEZDOYVFEKA-UHFFFAOYSA-N 435.485 -0.519 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cn1 769739185 VVSDUMABVIDGOX-UHFFFAOYSA-N 426.480 -0.595 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 817055229 RZISPCRUAVMJIA-OAHLLOKOSA-N 439.538 -0.439 50 20 IBGD Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n[nH]2)cc1 917176016 QOCYOYVVWXNMGR-UHFFFAOYSA-N 436.432 -0.407 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCOCCS(C)(=O)=O 1116157108 ZQDKYWSPVAWEQK-UHFFFAOYSA-N 435.528 -0.707 50 20 IBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)O1 1320617911 LDABDPIMZGYCRZ-AAEUAGOBSA-N 426.499 -0.441 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779054642 NOYGQJFKROHEPK-QVKFZJNVSA-N 439.281 -0.900 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc(O)[nH]1 1779778997 DUCRSDCAPKQOJK-OXQOHEQNSA-N 428.254 -0.764 50 20 IBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C 1779833551 WZPZJKPYAQWCNE-OAQYLSRUSA-N 426.282 -0.580 50 20 IBGD CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@@H](O)CCl)C4)CC2)CC1 1780647780 FIBIASZVNCYJDB-SQGPQFPESA-N 442.988 -0.120 50 20 IBGD COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783934216 CMCFDFIXDUCFKN-NRFANRHFSA-N 447.492 -0.315 50 20 IBGD CCN1CCC(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1785642013 HFKCMEAQGVSPIN-JOCHJYFZSA-N 429.326 -0.458 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786793070 VSIBJIAOOXTPNZ-BJDJZHNGSA-N 442.247 -0.526 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C[C@@H]21 1788607790 HSRAWQFDXRTTRB-MGHWNKPDSA-N 431.493 -0.153 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640702 WIIABNUJYCTNCO-QUSNUVHPSA-N 448.900 -0.285 50 20 IBGD CCOC(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)OCC 1795737025 UAPPZFDRXNBKBO-CWPLJXCYSA-N 434.298 -0.641 50 20 IBGD O=C(/C=C/c1cccc(O)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800591862 VAAABJQJFNJTPS-IEMDBUEVSA-N 436.273 -0.011 50 20 IBGD COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801009266 XOKOWMQEVZDTOV-VAKZPMALSA-N 448.520 -0.309 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728550 UOVMTNYGVPOAJZ-AUUYWEPGSA-N 437.884 -0.293 50 20 IBGD CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312150 KOXKLZOFRJBNED-HNNXBMFYSA-N 434.006 -0.358 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823109 JJCQHWONWQSCAO-GUYCJALGSA-N 432.315 -0.082 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823110 JJCQHWONWQSCAO-SUMWQHHRSA-N 432.315 -0.082 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033083 SMTKSUMBLLDOCH-BFQNTYOBSA-N 435.319 -0.327 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 742032771 AGXXOOCMBGEPAH-XHDPSFHLSA-N 437.478 -0.309 50 20 IBGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 742473260 YZBPZYMGRYSLPL-WVATUKLVSA-N 433.417 -0.364 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cc(N2CCCS2(=O)=O)ccc1F 756154437 GZGYDAAGJPUYQI-JTQLQIEISA-N 434.471 -0.047 50 20 IBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C(=O)Nc1cccc(-n2cnnn2)c1 763950162 UBLBPMZQXZACGL-UHFFFAOYSA-N 433.388 -0.047 50 20 IBGD CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764420407 FWZRJHLKQHGCAQ-STZFKDTASA-N 425.467 -0.642 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(F)cc1I 764431764 FWRLJMAHZMOXQF-JTQLQIEISA-N 437.165 -0.068 50 20 IBGD COC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 765372930 CPYUUQXZMRZKIP-UHFFFAOYSA-N 444.466 -0.180 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)c3cnn(C)c3)CC2)cc1 765731170 YNQDWSKGTLNMBX-MRXNPFEDSA-N 448.549 -0.014 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H](C)O1 767824096 WGTZUQCAVGDSBJ-IRXDYDNUSA-N 447.540 -0.448 50 20 IBGD COc1cc(Br)c(F)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 779832203 LBIDDKLIBITNSO-ZCFIWIBFSA-N 448.292 -0.156 50 20 IBGD CC(C)(C)C[C@@H](CC(=O)NNC(=O)N1CCOCC1)C(=O)NNC(=O)N1CCOCC1 813428102 RLGYOJIJLGYBGY-CQSZACIVSA-N 442.517 -0.425 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3cccnc3)CCCC2)n(C)c1=O 813487380 HTTTVSLOUJOYPI-UHFFFAOYSA-N 425.449 -0.512 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1OC 919241457 FKKGMIKJUIVVCR-CYBMUJFWSA-N 443.478 -0.178 50 20 IBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1cccs1 1115836788 BKKPWYPXIKDJKF-GHMZBOCLSA-N 429.476 -0.912 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778735307 CBMKRRJFHPZLHU-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CC[S@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032215 LQZUVGSXYKAORS-QTEAWJPNSA-N 437.522 -0.713 50 20 IBGD COc1nc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779740830 OHXZQKKLMYUVDJ-QFIPXVFZSA-N 439.277 -0.164 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317571 NWSDTJPQWNBGMX-IQUTYRLHSA-N 427.885 -0.321 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783531942 ASDIDPDLRYKXKI-MGPLVRAMSA-N 439.270 -0.356 50 20 IBGD CN1CCCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784116242 VDQLSRYYZDOLCD-LEAZDLGRSA-N 429.326 -0.556 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926426 XIUYTRMMHJOWEZ-PEDHHIEDSA-N 438.294 -0.192 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796023449 CKDFVGJHMTVZLV-JWBKOJIWSA-N 428.497 -0.401 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796083139 QJOBGXQADKHESF-GPLRMVCLSA-N 431.497 -0.649 50 20 IBGD COC(OC)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803345296 FPPBPWGSXPPQRJ-SJLPKXTDSA-N 427.266 -0.300 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1810304302 BYGVOWRHPDCIJB-KXBFYZLASA-N 442.476 -0.591 50 20 IBGD CN(C)C(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814560927 IFNMKZNKEOZXFJ-MRXNPFEDSA-N 442.285 -0.333 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056264 CMCQUUUYARGKOX-IBGZPJMESA-N 438.293 -0.003 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)CC1 1828862830 ZQFONNRPPJRQAR-QGZVFWFLSA-N 441.492 -0.206 50 20 IBGD COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829940933 SDUHGVDLCKWXCY-FQEVSTJZSA-N 435.481 -0.820 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ncccn1 1834231846 CRQDRWXHIIVXRN-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD CC[C@@H](C)[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797933 NLEFHPQUGNKANC-IERDGZPVSA-N 444.385 -0.075 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198283 BVRPIUNHFHGTAP-TZMCWYRMSA-N 445.307 -0.432 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1840183840 CUXJRGAAWBSLCX-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185247 NDGVAJUCBSIFIK-FQEVSTJZSA-N 427.546 -0.844 50 20 IBGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1=O 104519535 FZAMNZHUHYHNEM-IBGZPJMESA-N 436.421 -0.272 50 20 IBGD COc1ccc(NC(=S)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 729693398 WYCLZKRYFXMGNM-NSHDSACASA-N 440.507 -0.427 50 20 IBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C(=O)N1c1cnn(C)c1 745917488 JHAMYETVGOVUJX-ABAIWWIYSA-N 434.478 -0.038 50 20 IBGD NS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 746347545 XLEZHJWUUZMANX-UHFFFAOYSA-N 425.492 -0.157 50 20 IBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1cc(S(N)(=O)=O)cn1 748545938 ACNPRFXWIJMPLS-VIFPVBQESA-N 446.283 -0.092 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 758152033 ZXONDMLISCASNN-SNVBAGLBSA-N 430.508 -0.841 50 20 IBGD C[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)S(=O)(=O)C1CCOCC1 758512125 HUVONGKUMMINBV-LLVKDONJSA-N 447.373 -0.205 50 20 IBGD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764225572 AJYJLXWAYSQOBX-NSHDSACASA-N 427.483 -0.843 50 20 IBGD COc1ccc(C2(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCC2)cc1 766639136 NSANZZAVRBAROM-UHFFFAOYSA-N 440.460 -0.288 50 20 IBGD O=C(COCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)NCc1cccnc1 772888398 IMKCRTCGWZWSNA-UHFFFAOYSA-N 433.852 -0.168 50 20 IBGD CN(C)CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 775692757 MOUUWVWLRNFAEI-UHFFFAOYSA-N 428.515 -0.512 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 784001676 AYHBPIRXDCDLGH-UHFFFAOYSA-N 429.389 -0.252 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789116102 GNFGMAYXQQLOTL-HXUWFJFHSA-N 446.460 -0.085 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cncn3C)CC2)cc1 793676450 SCRIHDPNCYTXBZ-UHFFFAOYSA-N 448.549 -0.185 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCCC(=O)N1 799524646 OUYWCLVVBIMCMT-MRXNPFEDSA-N 438.506 -0.544 50 20 IBGD CCCc1nnc(SCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)n1N 813367313 YECYODLVZMLURD-UHFFFAOYSA-N 426.528 -0.209 50 20 IBGD COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779031837 ZQJYVOQMUJUWJV-FQEVSTJZSA-N 441.448 -0.759 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779814408 UXRVNFDZXVNGRE-IBGZPJMESA-N 430.657 -0.433 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781542825 WUHHLYNGNWMKHR-XWCIJXRUSA-N 448.314 -0.173 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1781997756 FZFBTOLSSMTOIH-IPJQOSJUSA-N 433.347 -0.124 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213435 RBHZNHMSYUZGGA-GWXCNEDNSA-N 437.541 -0.087 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1783937984 QOXPEJAXBJURFH-OAQYLSRUSA-N 431.493 -0.398 50 20 IBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)[nH]1 1784716920 SGXQQLBFNODKGK-NUTKFTJISA-N 427.465 -0.376 50 20 IBGD Nc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cs1 1786911021 IWRWMQRXZXCKMR-NOLJZWGESA-N 430.295 -0.688 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nn1C 1789068967 FOCRIEHCTFGUTL-ZVZYQTTQSA-N 434.541 -0.051 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797789348 ICMWWQXSAGHKJG-DFGXFYAUSA-N 444.557 -0.078 50 20 IBGD O=C(CS[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797791159 FUJQYWBWHKUMLT-JSJNYSNDSA-N 448.350 -0.171 50 20 IBGD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798523206 WNKYKOJRZQZCLH-HBCWATKFSA-N 448.432 -0.141 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802684102 WKDMIDZMQXBKDG-OXQOHEQNSA-N 447.540 -0.268 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258007 ZCFKGOHMFZMRQJ-LSDHHAIUSA-N 431.338 -0.276 50 20 IBGD Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938569 ZBUUPXFWLUZGFF-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720020 HAORMYIJKBDGRL-HNNXBMFYSA-N 427.885 -0.490 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837366871 MMLCTDYDTDGJLR-MEDUHNTESA-N 431.287 -0.508 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838646710 YKUXMSDVSDALDK-UHFFFAOYSA-N 428.530 -0.633 50 20 IBGD CCOC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 23241855 YNEVXWPNNWZGPG-UHFFFAOYSA-N 444.448 -0.168 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725902853 VJOJJHSJDSSSSQ-UHFFFAOYSA-N 436.446 -0.272 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 728512348 QLYRDYBHMISJQW-INIZCTEOSA-N 442.476 -0.135 50 20 IBGD O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308305 WVLAKYWTMIKUJR-QMMMGPOBSA-N 444.318 -0.146 50 20 IBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 756840542 WOUMDNKKVVVAQA-JHJVBQTASA-N 442.498 -0.894 50 20 IBGD C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731930 TVDBWLNNXQZKEV-SECBINFHSA-N 436.375 -0.673 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1 825554616 RSXYJOMYNQGHLX-UHFFFAOYSA-N 426.227 -0.021 50 20 IBGD O=C(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 917130871 NGPQIEIHPOKQGR-UHFFFAOYSA-N 432.437 -0.878 50 20 IBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 918549557 KYEAXAWLADESDG-UHFFFAOYSA-N 437.438 -0.178 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)n(C)c2n(C)c1=O 919714322 JEGLDXWTDRFHGR-UHFFFAOYSA-N 433.446 -0.946 50 20 IBGD CCOC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779036862 HLHOWLSWLORRIG-FQEVSTJZSA-N 445.476 -0.528 50 20 IBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780154228 CMOYFKUURPRZAX-OXQOHEQNSA-N 440.880 -0.121 50 20 IBGD COc1ccnc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1OC 1780450844 CODIRMXONPAHMV-NRFANRHFSA-N 449.508 -0.085 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1782214573 VGWNEAPMIUPFHD-GCKMJXCFSA-N 437.541 -0.601 50 20 IBGD Cc1ncc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)s1 1784436613 UDDHPPKBPUZXOQ-HXUWFJFHSA-N 429.307 -0.182 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786804021 SRHLMZOHSLPKNU-HPCHECBXSA-N 433.347 -0.268 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2)c1cccc(B(O)O)c1 1795738882 IYBKDIUYENNKHS-XEMDLRDOSA-N 449.272 -0.873 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2ccccc2n1 1796777213 BASHUWHBIFRIFX-VPTLXERWSA-N 446.272 -0.173 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Br)C3)CC1 1797308384 ZGJMLFMSWRKESS-FAYQHZLMSA-N 445.358 -0.477 50 20 IBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733804 TZJOIYUJBUOWDJ-QAPCUYQASA-N 443.840 -0.030 50 20 IBGD Cn1nc2c(c1C(=O)N1CCOC[C@@]3(C1)CN(C(=O)[C@H](O)CCl)CCO3)CCC2 1830736371 SHJUOGGBAVYRNT-BEFAXECRSA-N 426.901 -0.422 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834820282 VFZDCZPCBWZLGK-INIZCTEOSA-N 435.319 -0.501 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506014 KJAACHYSQDJMPD-UWVAXJGDSA-N 440.928 -0.338 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839963507 MOEFUNXAGAJBTF-AHIWAGSCSA-N 449.346 -0.791 50 20 IBGD C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840842139 PUASDQYHXJLHSM-BQNPTPDXSA-N 429.477 -0.010 50 20 IBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1nn(-c2ccccc2)cc1O 109633014 WAFZCRXEWMKXAJ-UHFFFAOYSA-N 438.466 -0.816 50 20 IBGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)cc1OC 748247349 YTLJNOFWPVLQPY-HNNXBMFYSA-N 432.477 -0.135 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 756784559 NVZMPMRBBVWKBU-LBPRGKRZSA-N 430.508 -0.038 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Br)nc2)n(C)c1=O 765724467 JKIDEASQXLRNQE-UHFFFAOYSA-N 436.226 -0.948 50 20 IBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c(C)c1 797003991 FUUNNQUWRZFAJI-UHFFFAOYSA-N 430.417 -0.010 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ncc(C(F)(F)F)s2)n(C)c1=O 801751517 KXVNOKYDKKGFGN-UHFFFAOYSA-N 446.371 -0.238 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)C2=O)cc1 816881081 YPHDOWYKUFLSRM-MPBGBICISA-N 441.448 -0.536 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cc(=O)nc2cccnn12 1780038584 YMCZRHYHVXZBBN-BXTJHSDWSA-N 449.895 -0.183 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092629 OKKQFJWCBRRUCG-ARKGTOAJSA-N 434.873 -0.939 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1784444255 JLEZSECUDQYBEE-YTFOTSKYSA-N 439.962 -0.452 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784632173 WWHRAXDMEQZDOX-BTYIYWSLSA-N 426.282 -0.424 50 20 IBGD CCc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)co1 1788990352 UJRPCZWYBSDTRH-ZVZYQTTQSA-N 427.266 -0.176 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1F)C2)c1ccc(B(O)O)cc1 1795734823 VKIMHMACUJWBLB-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccnc1 1795875868 QBGHGROPFGWTJY-CWPLJXCYSA-N 438.488 -0.084 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2ccnc2c1 1797448688 QOCCHVGPNRCUHE-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797783246 KFBMDGDAFCVBDA-RMFSNUHRSA-N 440.305 -0.732 50 20 IBGD O=C(CN1CCOC1=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805762241 OZRDWVHFSZGPSX-UHFFFAOYSA-N 429.282 -0.337 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829831484 MAGILHQVSFKMHB-QUCCMNQESA-N 438.481 -0.858 50 20 IBGD O=C(CSc1ncccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722660 GSHGVUZQGFQBEV-DYVFJYSZSA-N 430.914 -0.375 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732197 VXVLHHWVXDTGNS-YGRLFVJLSA-N 432.779 -0.852 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736544 TYVYRSQGXDOAGF-JKSUJKDBSA-N 431.965 -0.595 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798906 HJFLQMHPKFGZRY-KRWDZBQOSA-N 444.385 -0.108 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312242 RUFOATGFQMCDOQ-OGHNNQOOSA-N 432.315 -0.105 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449238 BOESIOZTMOPCLK-CRAIPNDOSA-N 448.358 -0.052 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)on1 1835929644 ZYYZDYOVRWITFZ-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CC(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837455928 GQQDKAXHTYCFJC-HXUWFJFHSA-N 435.481 -0.820 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840063352 DKMJBLCPFFJJSN-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD Cc1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183583 NDKALRTXUYWOKT-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1844333539 LLCGBDHVNLQJLM-AWEZNQCLSA-N 431.497 -0.829 50 20 IBGD O=C(NNC(=S)NCCc1cccs1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 21125217 LVZIFFWEBJPIOY-NSHDSACASA-N 443.576 -0.049 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 728511864 DSQTUMCOEPHOQO-ZDUSSCGKSA-N 438.510 -0.824 50 20 IBGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 729666636 XTMVPOFJLWMGIF-LURJTMIESA-N 430.867 -0.315 50 20 IBGD CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 757709901 FIVBKWPHWXVARC-MNOVXSKESA-N 435.528 -0.146 50 20 IBGD NS(=O)(=O)c1ccsc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 774799496 FACZTPOQGUJFRB-LLVKDONJSA-N 441.443 -0.460 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786364259 ZYCKWHMYHKNYIR-DTDBQYNISA-N 429.429 -0.148 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 786364260 ZYCKWHMYHKNYIR-DTTOXWODSA-N 429.429 -0.148 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)C(=O)N1CCCC1 810275822 VBFDEWCIHODCGR-UHFFFAOYSA-N 438.384 -0.367 50 20 IBGD O=C(NCc1ccco1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 920832375 NHQLLSJQBRKZSW-UHFFFAOYSA-N 444.491 -0.007 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783531941 ASDIDPDLRYKXKI-HWPZZCPQSA-N 439.270 -0.356 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783934377 FYVGGEXPSMJNPZ-IBGZPJMESA-N 425.486 -0.968 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(O)nc(O)c1 1787291245 QJPAKJSBQLMKSB-JQFCIGGWSA-N 441.249 -0.920 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cc(=O)n2[nH]cnc2n1 1795728281 CFLOLRXRBJVICP-WDAIWFPHSA-N 439.270 -0.594 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1797871345 MQCQNTMXUBWAMB-KQXIARHKSA-N 430.292 -0.012 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1798439822 IJQFWDZIJMNKDN-ZSBIGDGJSA-N 438.448 -0.860 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)CN1 1804971793 ISJLALDVNKJNPT-KRWDZBQOSA-N 427.310 -0.263 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055984 QADLOQRNOGLXEO-IBGZPJMESA-N 444.341 -0.129 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025645 HQCJFVWTAAUGKX-AUUYWEPGSA-N 427.885 -0.225 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CCC1=O 1834819508 QBYIHECYRPBQDL-QGZVFWFLSA-N 445.314 -0.164 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 1834884646 IJPQUXOMVRCESR-UHFFFAOYSA-N 433.557 -0.172 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1835928657 UIVRFNIRTNTYHM-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD Cc1occc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935070 FDZKVWSGKBOBNP-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD O=C(CC1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935945 YINQYKQFHTZGCQ-JOCHJYFZSA-N 446.309 -0.747 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)cc21 1836779722 WMQWQOKBYPNQJK-KSSFIOAISA-N 443.863 -0.379 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839149935 WROBRCCQPUPHOA-SJORKVTESA-N 439.340 -0.050 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839155225 ORSWAOOTMIXBKC-MSOLQXFVSA-N 448.303 -0.396 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840031544 TYOURAKSDNDEAU-ZBEGNZNMSA-N 431.287 -0.021 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)Cn2nc(C)cc2C)c1 15758356 WDYNLENOIXUTKB-UHFFFAOYSA-N 438.510 -0.460 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)c1 744691667 JUMJWCVDNOZDMW-UHFFFAOYSA-N 431.430 -0.374 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc(OC)c1Br 764435296 UDEUVAJLMGRJBM-LLVKDONJSA-N 432.227 -0.032 50 20 IBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 792028936 RGSAOXLILILEJD-OTYXRUKQSA-N 425.385 -0.800 50 20 IBGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779595 MSTDOBFMJZCFHB-HHSBIGSDSA-N 437.478 -0.236 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 819727453 GADQZYVXVWVVJM-HIFRSBDPSA-N 431.511 -0.041 50 20 IBGD COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 912548958 ZFUBWLOBJCTETD-UHFFFAOYSA-N 431.290 -0.815 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786799097 QZCKRRUPBNJOOH-PEDHHIEDSA-N 433.347 -0.410 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981186 XYCNPZQCDOGOLA-SZMVWBNQSA-N 434.374 -0.189 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4nccn34)C[C@@H]21)c1cccc(B(O)O)c1 1786985257 WLNQJGPWLPRJGU-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)c1 1788609957 GBBLZBUTIIVYAI-OWQGQXMQSA-N 437.460 -0.208 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790565583 MFVDTRIHCAYSMW-XIRDDKMYSA-N 448.524 -0.533 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1791255660 XSVNANOIHDUNBB-ZOFXXKQRSA-N 448.900 -0.285 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccccc1)C2)c1cccc(B(O)O)c1 1795737409 DNPSZPNUAUWWPN-HATOLVCRSA-N 438.289 -0.214 50 20 IBGD CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797756872 OYKJSJSFOHCDQL-HGKCTWBKSA-N 444.536 -0.380 50 20 IBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)C1 1801009180 QWAFRIUPUJBNPA-NTODXPRQSA-N 438.525 -0.462 50 20 IBGD O=C(Cn1ccnn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807677905 XHJFFUZXIOQFJP-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)o1 1831790295 OTYRSWWGXWUBLN-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)s1)CCO2 1833215252 STJAXFDXOICDRW-FQEVSTJZSA-N 448.281 -0.049 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258770 WQGUTPLDHZFDEM-WFASDCNBSA-N 441.344 -0.339 50 20 IBGD Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)n1 1835664650 BMCMHOLXFXYSNK-CQSZACIVSA-N 427.937 -0.509 50 20 IBGD CC[C@@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837913290 VLBKAJGJKAKCLG-HXUWFJFHSA-N 431.342 -0.023 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188288 AUUBLKRYXSYZJO-BZNIZROVSA-N 425.313 -0.046 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)C)c(=O)n2Cc1ccccc1 15755890 GGNMBVXZJCTDNX-UHFFFAOYSA-N 442.476 -0.142 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H](C)O1 732264333 SULJKVRDXBGSSE-ZIAGYGMSSA-N 444.510 -0.439 50 20 IBGD COc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1C(=O)O 749144757 XNGGAZBZVNPQBM-SSDOTTSWSA-N 426.856 -0.209 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764339665 WUXAVADOXIPKCR-UHFFFAOYSA-N 440.478 -0.398 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 771971899 RCBQTGBCSKRFOI-NWDGAFQWSA-N 442.494 -0.456 50 20 IBGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)s1 793450920 PQQCQHXIBHXHNR-JTQLQIEISA-N 428.496 -0.190 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 919884391 FMSSQLGIAUETCJ-KGLIPLIRSA-N 444.535 -0.395 50 20 IBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1248442215 KNNWCULGXBURRO-HNNXBMFYSA-N 431.536 -0.187 50 20 IBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2nccn(C)c2=O)c1 1252518646 LEHNGULTOFSXET-UHFFFAOYSA-N 436.494 -0.376 50 20 IBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)S(=O)(=O)C1CCOCC1 1319178903 BYHYEXXDNGZOFW-GFCCVEGCSA-N 447.535 -0.320 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1779031822 ZDRZSFUYKPSFHI-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779034028 JDLARTIEBXXAIX-QVKFZJNVSA-N 441.492 -0.105 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781324884 DJJVAURYRMNONR-UHIISALHSA-N 444.323 -0.165 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786983087 IQIKKFDVMORABZ-LQJIQPLVSA-N 440.309 -0.274 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788771850 VNMVIWWQQYBXJF-AJNGGQMLSA-N 434.331 -0.098 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cc1 1798945842 FIOKIRNNFAGUOK-ZSBFGKGUSA-N 425.445 -0.092 50 20 IBGD COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801010707 QXSBVUJLWDTXSN-USGNIVHTSA-N 433.509 -0.405 50 20 IBGD O=C(CN1CCOC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815024597 CVOPMIGLIMTJPM-MRXNPFEDSA-N 441.253 -0.152 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(C)(C)C 1830725216 HLQCNMDPAWXEDA-CLCXKQKWSA-N 433.933 -0.407 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563869 NNYUWUSERGIRGE-BFQNTYOBSA-N 434.287 -0.418 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833966902 IJLHCYKTWJRNDQ-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(C)o1 1834090539 OPKWHOWBMZGUGG-JOCHJYFZSA-N 442.277 -0.040 50 20 IBGD N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835514066 ZBIVPVLNJMCGCF-GWCFXTLKSA-N 427.296 -0.240 50 20 IBGD Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931610 SVKCQQXURFHKCF-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1835941762 OUKVJUIVTZYHLB-NRFANRHFSA-N 448.350 -0.420 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1837715874 OXEYZCJSPGUDER-YJBOKZPZSA-N 448.614 -0.129 50 20 IBGD O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199287 LVGOGUBBPYNRHP-ZBFHGGJFSA-N 436.278 -0.244 50 20 IBGD Cc1cc(Cl)ccc1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 15890301 WUPNMWLYHQITPE-UHFFFAOYSA-N 434.840 -0.378 50 20 IBGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)c2ccccc2c1=O 747905714 JQLMUKJRSIAHQR-UHFFFAOYSA-N 439.494 -0.478 50 20 IBGD COc1cccc(CO[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765727693 MPXMHBLAFUZERJ-GFCCVEGCSA-N 444.448 -0.805 50 20 IBGD C[C@]1(CCCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)NC(=O)NC1=O 801432596 QKKMHWDCPNBJNX-BFUOFWGJSA-N 434.405 -0.715 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 810346122 DBWHUEQOUQNYSL-MRVPVSSYSA-N 446.429 -0.931 50 20 IBGD O=C1Cc2cccc(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2N1 1782409402 WNNREBLLYGCZDB-HSZRJFAPSA-N 449.272 -0.382 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1783937026 DFVYKVKDNZLCQM-KRWDZBQOSA-N 425.515 -0.900 50 20 IBGD Cc1nn(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1F 1785779069 HQDCBBWIJFZHTI-KKUMJFAQSA-N 438.504 -0.166 50 20 IBGD Cc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611734 WQUDHFVDJMVKIS-KKXDTOCCSA-N 441.492 -0.366 50 20 IBGD CC(=O)O[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(C)C 1795739286 ZQVTXSCVKYGJDQ-NBMJBFSESA-N 432.282 -0.843 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cnc(O)[nH]1 1810949273 WHYLWYVBAABELR-YJBOKZPZSA-N 435.249 -0.177 50 20 IBGD O=C(CCn1ccnn1)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347734 MXTAXMPCURCVQS-AWEZNQCLSA-N 440.294 -0.270 50 20 IBGD O=C1NC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)O1 1815349961 ANSOWRMWZABEDT-AAEUAGOBSA-N 430.251 -0.843 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C3=COCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801357 BDHAQBYJIJLZSJ-UHFFFAOYSA-N 427.310 -0.144 50 20 IBGD NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1835814303 ZVLZBTRPXFFSFY-SQGPQFPESA-N 425.913 -0.215 50 20 IBGD Cc1ncsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935339 OTDOEOPBZFUJJZ-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1835938362 TWHZKMIFAIPDCZ-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(=O)O 1837711265 ARZSAOBHKJGFSN-KSSFIOAISA-N 431.562 -0.643 50 20 IBGD O=C(Cc1cnc[nH]1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920398 UFMUIAXTXFRDMJ-UHFFFAOYSA-N 440.309 -0.056 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838331043 STRBHGRNJXBUPC-SGTLLEGYSA-N 425.873 -0.337 50 20 IBGD CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)CC2)CC1 1839106777 BDUHAHNEBKKEGC-YJBOKZPZSA-N 432.924 -0.243 50 20 IBGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1F 1840183729 WEHVXCXPPYHVFE-LJQANCHMSA-N 440.476 -0.700 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1cncn1 1840420628 PYMSKUIRUCLEQF-LALPHHSUSA-N 434.266 -0.014 50 20 IBGD C[C@@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 742612255 INIZYDWRTZZANB-NSHDSACASA-N 433.446 -0.326 50 20 IBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc(OC)c1OCC(N)=O 751209997 WPKJUKIYIGAXQE-UHFFFAOYSA-N 436.446 -0.180 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)NNC(=O)CO)c1 755438815 ISUDVEWTFDMTST-UHFFFAOYSA-N 442.542 -0.386 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(I)c1 758037938 AWEQMEJPDQPFDI-ZETCQYMHSA-N 441.247 -0.002 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cn1cnc2ccccc21 763011719 HNTBBCHFITUYDM-GFCCVEGCSA-N 444.473 -0.350 50 20 IBGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2=O)cc1 764231253 NOMLLACBWWLNFB-ZDUSSCGKSA-N 449.489 -0.771 50 20 IBGD CC(C)c1cccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764379067 PRKNUGATDZQBGH-UHFFFAOYSA-N 441.448 -0.657 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCNC(=O)C2)c1 781400598 MIEOLEDKLNAHMB-UHFFFAOYSA-N 440.526 -0.907 50 20 IBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 784661885 FEPDPTXHYKSMNH-UHFFFAOYSA-N 447.539 -0.646 50 20 IBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)c1ccc(-n2cnnn2)cc1 913155904 BXJCVSKUVIMIGL-UHFFFAOYSA-N 433.425 -0.069 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092790 VYQVUDOQNPOYKT-AIUMHDJVSA-N 435.905 -0.591 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784507193 DAXFLFXUCBTIPD-QFIPXVFZSA-N 440.309 -0.597 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979668 JBPVOCYEOPSJEP-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nc1 1794460653 UROPERCQERXXSS-CWPLJXCYSA-N 438.293 -0.656 50 20 IBGD CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1794513355 NATYPXMPQPLXDB-CULMDFNYSA-N 445.455 -0.373 50 20 IBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798103365 HJJOAGVNCJNOMF-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1810303656 ULGSARZXQMTVFV-KXBFYZLASA-N 449.475 -0.309 50 20 IBGD COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813264484 FADRPUKVHRKNDY-QFBILLFUSA-N 440.265 -0.563 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360503 HVWZDLZLTSSFEX-BXUZGUMPSA-N 442.306 -0.261 50 20 IBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1822895031 YULOPQASROHRJY-ZJUUUORDSA-N 431.478 -0.498 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 1828924388 QMWKAHREWBIKKO-ZYSHUDEJSA-N 444.536 -0.359 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCCC3)CCO2)C1 1834680328 AZNNGPNQLDDYNL-OAQYLSRUSA-N 429.477 -0.135 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930664 SXMACKCQYSIGMT-IIBYNOLFSA-N 434.298 -0.750 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1837599588 RDZPKGABNGOKEA-YCRPNKLZSA-N 449.508 -0.431 50 20 IBGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)on1 1840182787 UJRZIEBCDDOUDY-HXUWFJFHSA-N 437.497 -0.645 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840185890 VJOTYFWDLGJQRS-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2)NC(=O)NCc1ccccc1 1845038713 LGOABRNWXFKWIY-UHFFFAOYSA-N 430.509 -0.376 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 762973284 RRHLBOKMJLTOAU-LLVKDONJSA-N 448.457 -0.315 50 20 IBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 763015216 WYQDIRCZQLFCNX-CYBMUJFWSA-N 436.494 -0.033 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 764426962 WXRPKSRPKQIAFP-HNNXBMFYSA-N 425.463 -0.096 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)nc21 771019971 HZDZCYNTIGLFJK-UHFFFAOYSA-N 449.449 -0.348 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 773545786 IKRXFFXFMNDXQV-LBPRGKRZSA-N 448.505 -0.090 50 20 IBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 794599001 RPXQKSIFASCTPT-UHFFFAOYSA-N 442.475 -0.279 50 20 IBGD O=C1CC[C@H](C(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1 1330150396 TWOJZYRFYKSIFB-CYBMUJFWSA-N 427.508 -0.696 50 20 IBGD O=C(NC[C@H]1COC2(CCOCC2)O1)NNC(=O)c1csc(N2CCOCC2)n1 1341877054 QHMCGGCNCXTTQR-LBPRGKRZSA-N 427.483 -0.154 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782211942 HOSKWAFRRDGACI-BXTJHSDWSA-N 440.545 -0.680 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1790957931 FINSQQORDHELFJ-NWBUJAPZSA-N 445.314 -0.262 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(N)=O)C[C@@H]21 1791293948 QPELCRFVPBZICN-WBAXXEDZSA-N 445.520 -0.248 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1Cl)C2)c1cccc(B(O)O)c1 1795740339 VKLOFXNXFMUWMH-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD COc1nc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798245393 WOGXLVGIUZXRCK-HGKCTWBKSA-N 439.277 -0.405 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)COCCO)[C@H]1c1cccnc1 1808616300 ZMSOOSPQBZRGNK-DNVCBOLYSA-N 442.476 -0.591 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1nccn1)CC2 1819800934 VLEBNILESOPMMU-SNVBAGLBSA-N 441.477 -0.341 50 20 IBGD COCCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834562259 JBPGMTMRXZFHDF-UHFFFAOYSA-N 432.525 -0.093 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1835938355 SWULBDNMOLIKBG-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132201 OCZBJNXOSKNDBM-BBRMVZONSA-N 430.303 -0.235 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839866498 CQUPTOHDNVONBK-IGCXYCKISA-N 432.315 -0.390 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182670 PNUXPAOVROOKPM-HXUWFJFHSA-N 426.514 -0.569 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840322267 SEVNFFMQDKHCBI-BXUZGUMPSA-N 426.239 -0.511 50 20 IBGD O=C(CNC(=O)c1ccccc1I)NNC(=O)C(=O)NC1CC1 726619496 RJVRFJVHOZYLBP-UHFFFAOYSA-N 430.202 -0.553 50 20 IBGD COCCn1c(N)c(N(CC(=O)NNC(=O)C2CC2)Cc2ccccc2)c(O)nc1=O 733193195 IOZFMHIYWZZCBV-UHFFFAOYSA-N 430.465 -0.259 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 748616154 WLGQFFZAFYMIOX-AWEZNQCLSA-N 444.510 -0.411 50 20 IBGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1OC 750601342 SNWNZCSYDDIFBN-UHFFFAOYSA-N 441.466 -0.506 50 20 IBGD Cn1cc(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 751047210 PAVDLILPDPLOGT-UHFFFAOYSA-N 435.506 -0.236 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755143698 SUPSHNFPGQCJAS-VXGBXAGGSA-N 447.514 -0.980 50 20 IBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758527562 MKNNTLXJAIZBLK-LLVKDONJSA-N 432.362 -0.373 50 20 IBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 762377363 LPWXPOKPGXHMFH-AWEZNQCLSA-N 425.511 -0.043 50 20 IBGD COCCOc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229468 AIKPRDWOSMIXGR-SECBINFHSA-N 436.874 -0.611 50 20 IBGD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2C1 764431735 FQMFXBIMCZFVNI-HNNXBMFYSA-N 449.464 -0.124 50 20 IBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 770106168 AORCPXWTVCYFGP-ZFWWWQNUSA-N 443.478 -0.519 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(Cc2ccccc2)cs1 806977889 CSVBCOTVHFODOW-SNVBAGLBSA-N 425.492 -0.243 50 20 IBGD COc1cc2c(cc1OC)C(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)C(=O)N2 915957801 VZAIUEXVAGULGH-UHFFFAOYSA-N 434.434 -0.939 50 20 IBGD CN(CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 920426633 QTQJGMWTKDHUBL-GOSISDBHSA-N 437.566 -0.535 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC1CCN(S(C)(=O)=O)CC1 1317891481 YHIPUDIQGLJSPI-UHFFFAOYSA-N 446.555 -0.344 50 20 IBGD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779030172 HOGZNFOXSSJUIC-FQEVSTJZSA-N 427.465 -0.272 50 20 IBGD CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cn1 1779760653 MPCATRLCTNYDJJ-QFIPXVFZSA-N 438.293 -0.415 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1783935710 YDUWQDDWSNXSCM-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnc2c(c1)CCNCC2 1790618187 XTWNWJOCBUQYNI-WQCNXYOZSA-N 436.940 -0.037 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794319691 FXOPRNXHBHZBOJ-XRGAULLZSA-N 445.925 -0.058 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3[nH]ccc13)C2)c1cccc(B(O)O)c1 1795738957 MNOOQXMZXRJNBI-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nc1 1796728462 HGVNWCNOCZQZCR-IVWMJMPLSA-N 440.460 -0.394 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc2c1OCO2 1798470743 UPAFSPLRRLZXGV-XOIINTDNSA-N 439.233 -0.993 50 20 IBGD Cn1ncnc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1805279812 VGLSCTUJMHOWIV-YOEHRIQHSA-N 449.475 -0.158 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1819801054 YIDKVCHSOVDXEE-ZJUUUORDSA-N 443.489 -0.497 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1830538029 TXMJVMWJTFBLMS-XNJGSVPQSA-N 432.315 -0.248 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830543270 OMJSASOOYDEMNV-CJNGLKHVSA-N 430.303 -0.235 50 20 IBGD O=C(NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc[nH]1 1830725052 DBMDKGPYUYUIGC-HNAYVOBHSA-N 442.900 -0.809 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715557 XKTDSQWNNIPYCC-HNAYVOBHSA-N 427.574 -0.015 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840030730 UZZRMKHKIPTZHL-LRDDRELGSA-N 435.319 -0.503 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840151978 SOHWPXDOAJXCCF-VQIMIIECSA-N 433.933 -0.581 50 20 IBGD Cn1ncc2c(N3CCN(CC(=O)NNC(=O)c4cccc([N+](=O)[O-])c4)CC3)ncnc21 23631019 JWWFQLYVMXREPG-UHFFFAOYSA-N 439.436 -0.145 50 20 IBGD O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1cccs1 753641565 XNFJJKSSBCMRBF-SNVBAGLBSA-N 442.475 -0.782 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 761633086 HGRHIOYDRXAKDJ-UHFFFAOYSA-N 446.489 -0.228 50 20 IBGD O=C(NNC(=O)c1ccccn1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763468386 XXVAMWUJTHGHFW-QGZVFWFLSA-N 439.428 -0.504 50 20 IBGD CC1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)CC1 764234715 ZKVZYWLQYICNFE-ZDUSSCGKSA-N 425.511 -0.054 50 20 IBGD Cc1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 789584464 JYSHQISMMCUUBE-SSDOTTSWSA-N 439.263 -0.080 50 20 IBGD CN(CCNC(=O)NNC(=O)CNC(=O)c1ccco1)S(=O)(=O)c1ccc(F)cc1 798059354 JNCQGIZHWNOUGT-UHFFFAOYSA-N 441.441 -0.200 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(OCC(=O)N(C)C)c1 920479064 JKVWZWVNRZRYEI-UHFFFAOYSA-N 448.505 -0.422 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)n1ccnn1 1781545789 UXZHYLDIPCGODU-FQELHTAISA-N 441.297 -0.653 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782692880 WTRCAAANWUTEDH-JTSKRJEESA-N 431.342 -0.212 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936944 BFZYXOUAHIYEFD-OAQYLSRUSA-N 434.541 -0.218 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccn2nccc2c1 1788444615 LMPTVDYTNCIXJS-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C(=O)O 1796446297 RKRSHAJNDVKWFM-NSCGYWBUSA-N 431.449 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815771098 NKYFOADPVCTYJP-QWHCGFSZSA-N 448.484 -0.627 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830737410 HLLDYSPPAXDNOG-APWZRJJASA-N 428.917 -0.054 50 20 IBGD CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834868608 IROFQKVBZFPRRV-BQNPTPDXSA-N 447.492 -0.054 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840031711 AFFPPOCLWOTADI-RISCZKNCSA-N 427.317 -0.729 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840184125 UPOGWPJWOUMBHZ-NRFANRHFSA-N 433.509 -0.547 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)C1 1844196801 MCXCSSFHCYCEJP-NRFANRHFSA-N 435.245 -0.082 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 726710848 VBVUUBBYPSFUPH-UHFFFAOYSA-N 429.485 -0.641 50 20 IBGD COc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCOCC1 730576754 VMGLOIINJXBTPI-HNNXBMFYSA-N 439.490 -0.182 50 20 IBGD Cc1c(NC(=O)CSCC(=O)NNC(=O)CN(C)C)c(=O)n(-c2ccccc2)n1C 733359618 LSYXLUJGJOREAF-UHFFFAOYSA-N 434.522 -0.135 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)C(=O)N1CCCC1 748247300 XHVHEPHNPKHPDK-UHFFFAOYSA-N 430.508 -0.919 50 20 IBGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)c1 758032153 ZVUUDTPWZILAGH-WDEREUQCSA-N 428.467 -0.858 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1 758039587 MGDPYAIQRKTLFT-CYBMUJFWSA-N 434.540 -0.635 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 758043043 DKCINMPZGVRNRC-SECBINFHSA-N 447.520 -0.357 50 20 IBGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758049363 ZAZPIFCSQFNAKG-GXTWGEPZSA-N 426.495 -0.225 50 20 IBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 764087241 YXOCPZHFSMAGCW-ZDUSSCGKSA-N 425.511 -0.245 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 764230688 JLWZEUJYOIVIIY-JQWIXIFHSA-N 446.457 -0.593 50 20 IBGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)cn1C 767095819 FUXYSZGJFKWDKC-UHFFFAOYSA-N 438.485 -0.365 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1777864914 QFTOCNJOOYIDHO-JXFKEZNVSA-N 436.896 -0.080 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1779029147 LXZZOLFXGIFHTI-FQEVSTJZSA-N 425.449 -0.839 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037385 YZVGVCSLHXJJDD-XOBRGWDASA-N 432.481 -0.071 50 20 IBGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783934291 DBZJGYDHYCTBSJ-AZUAARDMSA-N 426.514 -0.223 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935509 UUJYSLJZIPSJSY-NRFANRHFSA-N 443.508 -0.146 50 20 IBGD Cc1ncc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)s1 1784436684 XINLANGDRMYHHF-FQEVSTJZSA-N 429.307 -0.182 50 20 IBGD CCc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)co1 1786981194 YBZZNOMOCNXITC-ZVZYQTTQSA-N 427.266 -0.176 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccn(C(F)F)n1 1788938946 VYQXUJJADIUGMZ-QRTARXTBSA-N 448.235 -0.135 50 20 IBGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cn2[nH]cnc(=O)c12 1789172728 LALOWEOBECLWLH-MHEUCROKSA-N 437.884 -0.476 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1[C@@H]2C=CS[C@@H]12 1790625128 UPXFSXVXHBBFLM-UGRKVPRCSA-N 428.319 -0.165 50 20 IBGD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732408 CIRBGDNTSSTRRI-IZZQQSIFSA-N 440.309 -0.165 50 20 IBGD CN1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797748160 KMAZTRAADBQNEK-CWPLJXCYSA-N 444.536 -0.380 50 20 IBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(O)n1 1798653609 MRZHYZCRTIIBER-JLVBRIDZSA-N 425.250 -0.708 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801972486 VYEWAZSCDIJKCN-QVHKTLOISA-N 428.873 -0.899 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819402586 CPNBDYPEUOGDNC-AWEZNQCLSA-N 439.440 -0.599 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825215729 FNBVNELTYJMEID-QMTHXVAHSA-N 430.295 -0.427 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCN2CCN(C)CC2)C1 1842827837 RDVPQEZOBJBKTN-JJIBRWJFSA-N 443.552 -0.039 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846386061 ZCHUXHXEQRAGED-UHFFFAOYSA-N 434.453 -0.667 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1848218444 YSOLCRXDIACLND-RCBQFDQVSA-N 446.508 -0.433 50 20 IBGD O=C(CN1CC(=O)NC1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 736066391 FXYIXEXZSFAHHN-UHFFFAOYSA-N 434.412 -0.242 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 740812737 YTGYTRFHXWMFRT-UHFFFAOYSA-N 429.451 -0.126 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(I)ccc1-n1cnnn1 744446949 PYGBRBSBXYMSFB-UHFFFAOYSA-N 443.205 -0.448 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)n1 763891630 QHEPXWFXOUCROC-UHFFFAOYSA-N 434.478 -0.392 50 20 IBGD C[C@@H](CCOc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729307 WFHRTBOPPHGDLW-ZDUSSCGKSA-N 428.449 -0.314 50 20 IBGD O=C(COc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1)Nc1cccnc1 768243693 XKKGLOWTKYZFQP-INIZCTEOSA-N 443.416 -0.400 50 20 IBGD COCc1noc(CN2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 780946775 OWAPHJQZUNEJIJ-UHFFFAOYSA-N 442.440 -0.636 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)NCCc1cccs1 920861806 SCVWSKJVCLAAAX-UHFFFAOYSA-N 439.475 -0.124 50 20 IBGD O=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 1337770752 JBDMLJVMEYAWQV-HNNXBMFYSA-N 438.506 -0.179 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@]1(F)CCOC1 1346327002 MHJGPCSYLHHSBU-SFHVURJKSA-N 429.470 -0.084 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1784444831 GUCJKELDZBKNCG-IERDGZPVSA-N 426.282 -0.424 50 20 IBGD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cs1 1785291833 SPOJFHOUVYCPIT-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)no1 1788667609 KPFDZSNSFNWMTR-JURCDPSOSA-N 428.873 -0.708 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1789092687 IFJPPNOKVRYJHN-YVNDNENWSA-N 444.261 -0.141 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796317344 ROHOCMOWXSFWBJ-MVVILRQUSA-N 447.496 -0.843 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cc(O)n1 1797750501 CRUOIUIHNOEBPD-ZSBFGKGUSA-N 440.460 -0.389 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797801478 RYDKHQUWWDTBNH-GODIYZJISA-N 434.331 -0.742 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(Br)CC1)C2 1801012536 NRYNMBWQQHCDQZ-JJLQDPRZSA-N 431.331 -0.124 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1810303738 VHWHISNRGDLTFR-XJKSGUPXSA-N 435.448 -0.168 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)[C@@H](O)CCl 1814870533 VWDLZKDWRKAKOT-MNOVXSKESA-N 435.832 -0.559 50 20 IBGD O=C(Cn1cccn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354595 KZOJOKACLCFJLC-AWEZNQCLSA-N 425.279 -0.055 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1819800197 MQKKAIALSXKBRS-SNVBAGLBSA-N 434.478 -0.624 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824181764 LUZPPQNZJHHIIN-KBPBESRZSA-N 425.850 -0.069 50 20 IBGD CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)CCl)CCO3)CC1 1830362229 OEMNAFPRDZAYRM-FQEVSTJZSA-N 430.977 -0.045 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2nccn12 1830735310 GNZPJSUSFQRYAI-BEFAXECRSA-N 437.884 -0.293 50 20 IBGD CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834516592 CLFHOULOXCMWLS-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD O=C(/C=C/c1ccoc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935439 SUSWKHBUYIKKDP-TWKPZUECSA-N 440.261 -0.257 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)O1 1836604592 OMQZASZQOSIXEN-FPDPHYFHSA-N 432.282 -0.996 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461533 YBRPLHXWUMIBHT-QKKBWIMNSA-N 447.492 -0.630 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840032299 URELOYAUNGPMLY-WMLDXEAASA-N 434.331 -0.442 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1840185145 GSSTXUGQYSJKEM-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD Cn1nc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)c2ccccc2c1=O 746325838 HYARCNRZHZXFJT-UHFFFAOYSA-N 445.461 -0.749 50 20 IBGD CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1S(N)(=O)=O 764151111 FRYMEUTXFFAXJI-HNNXBMFYSA-N 432.458 -0.014 50 20 IBGD C[C@@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCN1c1nccn2cnnc12 771208982 UBXAONUYGCKWRU-GFCCVEGCSA-N 427.425 -0.601 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 774660305 ZONVBXNJXBWTHB-STQMWFEESA-N 440.526 -0.132 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778560874 YFULFEHJIDZPNU-QFIPXVFZSA-N 438.293 -0.344 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778774522 YOPWJMOSHUYAHW-NRFANRHFSA-N 435.249 -0.605 50 20 IBGD Cc1cc(/C=C/C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1779128786 SDUFMCIXTPICHT-BXKJMJEDSA-N 425.250 -0.180 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381168 RRMAQVPBTPBQCL-GOSISDBHSA-N 444.408 -0.926 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(O)no1 1779801972 NTVSELSXSOSBMX-OXQOHEQNSA-N 429.238 -0.499 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)[C@H](O)CCl 1784093615 BSSMXGMSQUILKI-VIRABCJISA-N 442.856 -0.664 50 20 IBGD COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1786243756 NLWPAKFVGMDNIH-DZKIICNBSA-N 434.497 -0.549 50 20 IBGD CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)o1 1786979380 BUHFDIPFJBPYRW-XIRDDKMYSA-N 442.281 -0.673 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1C1CC1)C2)c1ccc(B(O)O)cc1 1795732425 DVLXXWPUTGDQKY-JLVBRIDZSA-N 425.250 -0.251 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)Nc1cccnc1 1798567235 WHGZXJYGKPGQPM-QDMKHBRRSA-N 437.460 -0.029 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n1 1809978675 KGBMUVBHLXKJDX-UHFFFAOYSA-N 440.313 -0.456 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817297314 DAWRVDMBQHOPEV-ABAIWWIYSA-N 444.322 -0.085 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826715228 BJGIQQPVUOMVHG-NRFANRHFSA-N 443.353 -0.068 50 20 IBGD Cn1cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457080 VANIPPWUDSIRCS-OAQYLSRUSA-N 442.476 -0.593 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1837717864 PWTPDIWAZXYYHJ-KRWDZBQOSA-N 436.603 -0.271 50 20 IBGD O=C1Cc2cccc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)c2N1 1839572462 YGTMQGSWTGZREF-MGPUTAFESA-N 437.880 -0.149 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840151001 UMYWGGLKUIQDBV-SCLBCKFNSA-N 428.873 -0.191 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840151906 QVHRXUWPSYCRNS-UGSOOPFHSA-N 429.857 -0.183 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cn1C 732262903 XBEHBNIQOAHSJH-STQMWFEESA-N 430.531 -0.956 50 20 IBGD CCc1sc(C(=O)NNC(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1C 736807597 KTUQJYLCBWTWSA-UHFFFAOYSA-N 429.480 -0.533 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 741212258 HZOHOLHPNJJQAK-LSDHHAIUSA-N 438.506 -0.179 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C(=O)N1CCCC1 748246453 KXWKBCNFLRJFMZ-CQSZACIVSA-N 428.536 -0.144 50 20 IBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)O1 760203310 KMZPXGXNZAAIRU-DZGCQCFKSA-N 439.494 -0.552 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(C)nc2O)cc1 763739091 ZDFOTIWNRWPCRB-UHFFFAOYSA-N 435.462 -0.189 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 763820337 FRXHNTZFZLZABL-UHFFFAOYSA-N 440.416 -0.894 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)O[C@H](C)C2 764227085 LYORPRWHQGOQQC-ZJUUUORDSA-N 428.467 -0.568 50 20 IBGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccn1 764433374 MTKBVNDPOBEWBB-INIZCTEOSA-N 443.416 -0.265 50 20 IBGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 770770472 ZZGBHXLALIYVOA-CQSZACIVSA-N 425.515 -0.553 50 20 IBGD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 778252905 VSCMPWBAMCZXFP-HJWRWDBZSA-N 429.477 -0.330 50 20 IBGD COCCCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 780696742 FNDANUVEKCVATR-OAHLLOKOSA-N 428.467 -0.119 50 20 IBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 792028935 RGSAOXLILILEJD-LKFCYVNXSA-N 425.385 -0.800 50 20 IBGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793216043 UUJPFRYRWPBHII-AWEZNQCLSA-N 427.483 -0.333 50 20 IBGD Cc1ccc2c(c1)CC[C@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)O2 793676221 QHHXNAXSTDSADF-CQSZACIVSA-N 426.433 -0.717 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1320580609 AAIJEIQRISVKSM-NEPJUHHUSA-N 445.519 -0.423 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1cccn1 1779034019 ISQPWWBZBPHCBU-VLIAUNLRSA-N 427.465 -0.414 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1779373555 YRLMHHWRBNYUIG-OXQOHEQNSA-N 442.480 -0.896 50 20 IBGD Cc1cnn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984641 XRBJHQCWTSEYJV-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732648 HDDPSBMSFRVQMA-OEYIWLLWSA-N 439.115 -0.399 50 20 IBGD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nn1 1795740259 LKRXCPKKWVJKHI-JLVBRIDZSA-N 441.297 -0.770 50 20 IBGD CN1CCN(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)CC1 1796191154 FKLGCTSNTDTDMD-ACDBMABISA-N 428.342 -0.744 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1814523333 OZMRJPBBOHFUAH-YOEHRIQHSA-N 439.281 -0.078 50 20 IBGD O=C(CN1CCOC1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335661 JGLIYBFISDITCD-CYBMUJFWSA-N 444.278 -0.499 50 20 IBGD O=C(Cc1cnc2ccccn12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830655826 ZNFMJJYACVFDGO-JXFKEZNVSA-N 436.896 -0.067 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccns1)CCO2 1833772868 KNDAYYOXENZPJI-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1835926512 PSACCWMVBUVFFI-IBGZPJMESA-N 438.236 -0.518 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837461271 RYLFTXPFFSXJCI-QGZVFWFLSA-N 446.291 -0.441 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840031709 AFFPPOCLWOTADI-BXUZGUMPSA-N 427.317 -0.729 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840422907 NXMDYBSPBARAQB-YZVOILCLSA-N 427.885 -0.095 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 728202943 DNWJPOYMRYSONJ-UONOGXRCSA-N 445.519 -0.660 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 730456895 FTHOBZSQVHNNMB-HZPDHXFCSA-N 443.547 -0.190 50 20 IBGD CC(C)CS(=O)(=O)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117041 MBYSHIRJGQJEFB-UHFFFAOYSA-N 433.556 -0.468 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nnc(-c3ccco3)s2)n(C)c1=O 756025144 IVNPBLRGBAYNGF-UHFFFAOYSA-N 445.421 -0.602 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Br)cc1-n1cncn1 758042795 BAHONXSTDNTPFB-QMMMGPOBSA-N 431.272 -0.272 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc([C@H]3CCCO3)s2)n(C)c1=O 760403865 LORXWTHQCOEPFO-SECBINFHSA-N 433.450 -0.797 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763849005 GXKBQVVXXTUJDZ-AWEZNQCLSA-N 448.455 -0.092 50 20 IBGD Cc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764377240 BHTGSNJKDNZZRT-UHFFFAOYSA-N 447.839 -0.818 50 20 IBGD COc1cc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 772626425 WDQFENRVRPKXOR-UHFFFAOYSA-N 429.437 -0.088 50 20 IBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772899021 YEZJQETYJXPWKF-UHFFFAOYSA-N 428.898 -0.304 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)n(C)c1=O 775986477 QXNLYHHOEAPBRJ-GFCCVEGCSA-N 433.391 -0.259 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(OC)cc1Br 779844450 JWUJXJHYWCYPIY-UHFFFAOYSA-N 440.228 -0.179 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NNC(=O)c1ccccc1 789108318 DEYWGNXJTYFSJJ-LJQANCHMSA-N 432.433 -0.394 50 20 IBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 792302004 UTSHBYXGDJQJCP-OAHLLOKOSA-N 436.328 -0.266 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 917125001 YPBBFEMUJYWXPI-UHFFFAOYSA-N 437.884 -0.468 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1323151184 NWXPHBYTKDWWNC-LLVKDONJSA-N 433.483 -0.194 50 20 IBGD COc1ccnc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1779533165 RAABONJAJSZURZ-OAQYLSRUSA-N 425.250 -0.473 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786982688 DEWYUQKQSHYDAL-LEAZDLGRSA-N 430.310 -0.081 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)[C@H](O)N1CCOCC1 1788654699 CAWWJYHXKPRFTF-BLXSCJOCSA-N 438.294 -0.693 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789116719 GLDGGNJPTFNCRQ-UVBJJODRSA-N 441.448 -0.912 50 20 IBGD CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302850 MTOHXVMIINTBAR-WMLDXEAASA-N 439.476 -0.512 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830631849 IPSHMLFMSUSCQG-PXNSSMCTSA-N 428.530 -0.777 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834705101 XLWDBIQZSNACAD-MRXNPFEDSA-N 428.965 -0.348 50 20 IBGD Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1837380520 OOVBHJGMLYUSKP-UHFFFAOYSA-N 441.297 -0.579 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839655956 YZFVPZHOWHQPMR-SUMWQHHRSA-N 436.962 -0.819 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1840187303 RRSGTOBSLCZASR-OXQOHEQNSA-N 442.582 -0.041 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)C2=NN(C)C(=O)CC2)C1 1841863706 ASHCYWASUFPHNB-LPYMAVHISA-N 427.465 -0.068 50 20 IBGD Cc1ccc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843015561 OWQOHEWFMZGOSW-UHFFFAOYSA-N 435.289 -0.078 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Br 725909280 JCMLGWFSFUDBOU-UHFFFAOYSA-N 445.251 -0.120 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1 730571813 UJCRFUIQZXGCGF-LLVKDONJSA-N 433.918 -0.385 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 731848819 ODALPEANBCVOAI-GFCCVEGCSA-N 425.511 -0.070 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 741143919 AIJSIQVSVYWKQB-VIFPVBQESA-N 428.398 -0.589 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)N(C)C)CC2)cc1 746008914 ZWNNWZZLLHLSNU-UHFFFAOYSA-N 425.511 -0.089 50 20 IBGD CC1(C)C(=O)NC(=O)N1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 746092711 BKSXVQVRVDNSKM-UHFFFAOYSA-N 437.478 -0.438 50 20 IBGD CCCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1OC 756080836 NSDBLLPDZNTNEB-UHFFFAOYSA-N 425.467 -0.043 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OCC(F)(F)F 764229790 CATUPANWNIMPKU-SECBINFHSA-N 440.400 -0.040 50 20 IBGD COC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 765368360 XOQOGTPCAJTYDS-LLVKDONJSA-N 442.450 -0.414 50 20 IBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 767175541 OUMRMOKGGMTUIU-HNNXBMFYSA-N 444.535 -0.008 50 20 IBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779522 JBHMUHYWBHJSFY-CQSZACIVSA-N 427.483 -0.732 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cccc([N+](=O)[O-])c1 845927616 WSKSPNUZIMHGJK-BHWMQLMCSA-N 442.384 -0.294 50 20 IBGD O=C(CS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 916162137 CCZNQFLTJMXEJB-VIFPVBQESA-N 439.309 -0.195 50 20 IBGD CS(=O)(=O)NCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916294304 KKDDFLZSXDZRQQ-UHFFFAOYSA-N 447.539 -0.646 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)C1CCN(c2ncccn2)CC1 1318796442 CIWKPODIDQCNLV-RRCSTGOVSA-N 428.449 -0.997 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21)[C@H](O)CCl 1784090055 OWNKHWQBALWHTN-ZNIXKSQXSA-N 446.913 -0.969 50 20 IBGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c(=O)nc1O 1785352856 FFWGLWWBFPHRDZ-PXAZEXFGSA-N 443.298 -0.129 50 20 IBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1789868446 FQCZGRPKRILZNV-YHZJGRIHSA-N 435.308 -0.200 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736311 XYAQGNPBEHYJIO-HGKCTWBKSA-N 430.266 -0.921 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740961 SNWKDOZULUWJPM-RMRDIRSESA-N 426.282 -0.664 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740995 VVVWWWSWZCNBJY-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807369778 VBOPJZHTNPPWTL-AEFFLSMTSA-N 434.265 -0.477 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971268 PJXXKTSUKAZLHQ-LJQANCHMSA-N 445.325 -0.638 50 20 IBGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1827060073 OQSDVEJELBUZPB-HNAYVOBHSA-N 440.313 -0.153 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(=O)n3O)CC2)CC1)[C@H](O)CCl 1833308267 NPSOUUMYSCTCPL-MRXNPFEDSA-N 426.901 -0.130 50 20 IBGD CC(C)(C)NCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834697620 NQAMJBPGDILKKQ-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD O=C(C1=CCCS1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933729 BJKOKPGBUOYLPR-HXUWFJFHSA-N 432.307 -0.543 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1840183615 PPGAMKGCMRZTLK-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD O=C(CCc1ccoc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840513965 BPQUBRMARPQIKK-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)n1 733040400 DJCFOZAZYXCPMJ-UHFFFAOYSA-N 438.510 -0.357 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)C1=O 734825394 DDKLSJVKAFMMCD-UHFFFAOYSA-N 440.501 -0.593 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 758660438 VOOGUPWYVVFPQR-CYBMUJFWSA-N 432.524 -0.477 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1=O 763629735 HDRWTAHALUZRNZ-UHFFFAOYSA-N 430.417 -0.115 50 20 IBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c2ccccc2O1 763893215 PTROGYFKQBLTOG-KRWDZBQOSA-N 442.476 -0.032 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)n(C)c1=O 765569698 MSBUPCGJJWEDJB-UHFFFAOYSA-N 428.434 -0.654 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 806978319 WIVXMBSCWRYERT-QMMMGPOBSA-N 429.455 -0.027 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCc2nc[nH]c2C1 812552998 JCJQKWPQEVJDNJ-AWEZNQCLSA-N 448.505 -0.068 50 20 IBGD CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)NNC(=O)c1ccc(C#N)cc1 814650095 KLWOGWNNCLBWSS-UHFFFAOYSA-N 431.474 -0.023 50 20 IBGD NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 912852215 RMXFPWYPRZCKBG-UHFFFAOYSA-N 429.455 -0.159 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783533135 QZBGTUTVANKOHB-SJCJKPOMSA-N 425.088 -0.407 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1783934656 JXEANUYCJGVBOJ-NRFANRHFSA-N 443.508 -0.525 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792872307 YSFCNRKKQOJNAX-JFILPPLUSA-N 433.347 -0.020 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793759715 PZUOKDVMNFMDBQ-DYNIEEOBSA-N 431.287 -0.841 50 20 IBGD Cn1c(=O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)nc2ccccc21 1796995335 TUZPGIZESHGTNL-NOXHYTERSA-N 434.880 -0.264 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797807892 FLOUVPDOKAAUDE-RFJMFJJWSA-N 434.331 -0.600 50 20 IBGD O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800207259 IVXBYLMBSOUKIL-HZZFPTLFSA-N 433.234 -0.159 50 20 IBGD CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010564 HFNXSQSJPWPDMM-YVWYUNDQSA-N 425.530 -0.745 50 20 IBGD COC(OC)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803345297 FPPBPWGSXPPQRJ-WMZOPIPTSA-N 427.266 -0.300 50 20 IBGD Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810300416 YHSPPYSRLGIDDF-KSSFIOAISA-N 449.475 -0.158 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822532349 UPFBINLISFKLMP-CQSZACIVSA-N 445.480 -0.300 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1830534598 CDPOUOLVGQYDQN-LRDDRELGSA-N 430.303 -0.084 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C(=O)O 1835753480 CZQGKKCOXVJAHS-WBMJQRKESA-N 436.303 -0.710 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934068 LSMGDJQXKFIMGV-UGKGYDQZSA-N 446.309 -0.604 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939744 ZFCSGRAWIWHJEP-KKSFZXQISA-N 447.297 -0.763 50 20 IBGD Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185306 NNXHZWCJHZEUJG-HXUWFJFHSA-N 436.513 -0.979 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840358918 DWMILQRRFKXOSS-VVFCZOMOSA-N 426.901 -0.429 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cn2nnc3ccccc32)C1 1841816366 QCAACYKZRYKVDQ-UHFFFAOYSA-N 434.460 -0.053 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012009 URNLLHNUEOASSL-OAHLLOKOSA-N 433.270 -0.974 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCOC[C@H]2C)cc1 729613794 IBZPGYSGUBVLAT-OAHLLOKOSA-N 427.527 -0.333 50 20 IBGD COc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 731500023 WVFKVHXCHRDYRL-UHFFFAOYSA-N 440.526 -0.841 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3cc4ccccc4o3)cnc2n(C)c1=O 764330887 LXYYKEAUCNYSPX-UHFFFAOYSA-N 436.384 -0.222 50 20 IBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766640205 BWPKQUAJKNSGQN-UHFFFAOYSA-N 426.477 -0.175 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)nc1C 778425954 ILLJRKHDVGWPST-UHFFFAOYSA-N 427.421 -0.027 50 20 IBGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793446349 FSLMZEGSLQKECH-JTQLQIEISA-N 437.434 -0.577 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)o1 915062474 RALSDYLKPONGTC-UHFFFAOYSA-N 444.491 -0.422 50 20 IBGD CCn1nc(C(=O)NNC(=O)NC2CCN(CC(=O)NC)CC2)c2ccccc2c1=O 1319046709 HXSXOVXWZIAMOG-UHFFFAOYSA-N 429.481 -0.429 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779032378 PBZULMBMEOCZBS-GOSISDBHSA-N 444.408 -0.926 50 20 IBGD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)CCCN1 1780669381 HNUBJDJBZWIEEC-STZQEDGTSA-N 429.326 -0.364 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1782175367 JPNLNRKVWSWXFY-IIHSZXCVSA-N 433.933 -0.595 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783333607 ACGBFHDIKSRCLP-REWPJTCUSA-N 438.289 -0.587 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ncccn3)[C@H]2C1 1785423018 PKLSBCKQGWXXHH-JQFCIGGWSA-N 439.476 -0.689 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979785 QSHHLDYKCVUJDW-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979798 IGJWVQPZTCFTPX-JBACZVJFSA-N 437.305 -0.013 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984375 BKADKIBMVNUIGP-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc2n(n1)CCCNC2=O 1788256514 QPTKNFNXHLMBKJ-RKLWJJNISA-N 439.900 -0.790 50 20 IBGD Cn1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788611276 RBQORGWMFAPAHF-WBAXXEDZSA-N 441.492 -0.745 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O 1794670179 YQZBZKHLJSJGJG-CLLJXQQHSA-N 426.433 -0.350 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)N1CCN(C)CC1 1799967359 FGNCHYODPXQDMD-NXOAAHMSSA-N 443.552 -0.427 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835749605 LKQXMKFPNXMGGU-DCGLDWPTSA-N 449.346 -0.791 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720265 NJANCSKNMBBFEO-MRXNPFEDSA-N 432.949 -0.042 50 20 IBGD O=C(C1=COCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840214632 ONBKCSDXPCJLSN-OAQYLSRUSA-N 430.266 -0.869 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1843416547 WGFMJNILFBPMJG-FLVDCRJSSA-N 443.552 -0.040 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730541035 KENVTCCFJXYCGV-ZDUSSCGKSA-N 428.401 -0.019 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732914323 NZQPHJNVXMJTFM-HNNXBMFYSA-N 446.512 -0.765 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2cnn(C)c2)o1 735446099 WISRKLQRSTVCLK-LBPRGKRZSA-N 439.450 -0.196 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 737767247 STRPCPVFCWNUTI-UHFFFAOYSA-N 427.417 -0.211 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c1 746344263 QTNWTUJVNDHQOS-UHFFFAOYSA-N 440.503 -0.200 50 20 IBGD Cn1cnnc1SCc1ccc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)cc1 749812241 KEWXHFDNCNIQTO-UHFFFAOYSA-N 428.478 -0.149 50 20 IBGD CCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 763440375 BJWFXHJCSXEDTN-UHFFFAOYSA-N 442.494 -0.009 50 20 IBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c2ccccc2O1 764434750 YAICPUOKSUWTFU-INIZCTEOSA-N 441.400 -0.232 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 765727268 HBBACZHKARFLKI-UHFFFAOYSA-N 448.505 -0.439 50 20 IBGD C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCN1c1nccn2cnnc12 771200051 PNNFEPNHZYJNHV-CYBMUJFWSA-N 448.451 -0.335 50 20 IBGD CC[C@@H](C)n1ncc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 792479098 SRAQNJGOVMFECD-SNVBAGLBSA-N 431.457 -0.237 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Cl)nc3)c2)CCN1 917252352 MFFKGRJUXWVGOH-UHFFFAOYSA-N 437.865 -0.070 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c1 1320417710 STORVMVEOLOLAD-CQSZACIVSA-N 429.520 -0.087 50 20 IBGD Cn1c(CC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc2ccccc21 1337326650 ADDGRQSULQRRQO-CHWSQXEVSA-N 433.490 -0.701 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781348707 HFXHVZUGSCYSBF-LPMFXHHGSA-N 449.932 -0.308 50 20 IBGD COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933635 SRVPEROTDQMCFJ-SFHVURJKSA-N 430.527 -0.905 50 20 IBGD Cc1cnc2c(C(=O)N3CCO[C@]4(CCN(C(=O)CCC(=O)NN(C)C)C4)C3)cnn2c1 1783936691 ZCVJHFDPNIADDI-NRFANRHFSA-N 443.508 -0.146 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611018 FXYCNRNWWIETCG-JQFCIGGWSA-N 441.492 -0.068 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792889357 OHJVEMLUANIUIB-QKGCVVFFSA-N 449.932 -0.285 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741267 QLFKDFICOGCVBF-FAYQHZLMSA-N 434.254 -0.869 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1Cc2ccccc2CN1 1796325257 ZZBCTANTASJLAB-MXNKGDRCSA-N 449.316 -0.716 50 20 IBGD O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807635144 WFEUQMBQCJMBIR-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666316 IDAUHSXVZOARTH-JTQLQIEISA-N 441.477 -0.341 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1823879932 DFOQKHQCLUCMGX-LJQANCHMSA-N 444.341 -0.129 50 20 IBGD Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831829823 USMHCYOZILPGSA-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939790 HZWQKRQXTUWOIG-LJQANCHMSA-N 438.236 -0.352 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837384789 ILLRTQPOWFDIEI-HBUWYVDXSA-N 434.921 -0.596 50 20 IBGD COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837457051 WHRXNGXHCXDRHE-NRFANRHFSA-N 447.492 -0.818 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1837920108 BELXCKFYBFGJSA-UHFFFAOYSA-N 427.270 -0.590 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840130845 XJTMNKKNCRPBPJ-SPLOXXLWSA-N 447.492 -0.630 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182477 JSKVNXHSXCRGRF-MJGOQNOKSA-N 430.571 -0.230 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188290 AUUBLKRYXSYZJO-ZBEGNZNMSA-N 425.313 -0.046 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188483 MLZPCHLJRZEBOA-KRWDZBQOSA-N 446.291 -0.441 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840435290 RLGXNMFRUFHVEN-QFBILLFUSA-N 428.917 -0.364 50 20 IBGD Cn1nc(C(=O)NNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc2c1=O 17193519 HKFHMKVQPUIENN-UHFFFAOYSA-N 434.412 -0.212 50 20 IBGD O=C(NCCCn1nc2n(c1=O)CCCC2)NNC(=O)C1CCN(c2ncccn2)CC1 728949477 SUCJKDMIKRRUBF-UHFFFAOYSA-N 443.512 -0.192 50 20 IBGD COc1ccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 729693293 RSNFMXARHRXGJB-UHFFFAOYSA-N 432.466 -0.755 50 20 IBGD CCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 756109418 YHTKLCSEGGLPLT-UHFFFAOYSA-N 429.437 -0.006 50 20 IBGD CC1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)CC1 764234711 ZKVZYWLQYICNFE-CYBMUJFWSA-N 425.511 -0.054 50 20 IBGD O=C(CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)NNC(=O)c1cccc(Cl)c1 772746621 BSPMRLAULWKJSN-UHFFFAOYSA-N 435.868 -0.606 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)[C@@H](C)O)cc1 779507943 APDWPBKJHDKTQU-WBMJQRKESA-N 438.462 -0.807 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 784072303 LYMRKSNZQKQHBS-UHFFFAOYSA-N 440.503 -0.276 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)c3ccoc3)CC2)cc1 795336507 UJFCBRPJJJVCQN-UHFFFAOYSA-N 442.519 -0.096 50 20 IBGD O=C(COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1cccs1 1115836791 BKKPWYPXIKDJKF-WDEREUQCSA-N 429.476 -0.912 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1320580611 AAIJEIQRISVKSM-RYUDHWBXSA-N 445.519 -0.423 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(=O)cco1 1786284545 OBTDNPZCCUEXCB-FNHZYXHNSA-N 426.234 -0.773 50 20 IBGD Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979977 VZNIFINWFVKPMZ-BPUTZDHNSA-N 430.295 -0.567 50 20 IBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nn1 1789101726 LPIBLQGNBUYJRH-ZVZYQTTQSA-N 440.265 -0.928 50 20 IBGD CCN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1792293075 COGGCNUPKYXEHZ-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975318 QKKIFVJKCKDPCJ-XLWJZTARSA-N 449.932 -0.549 50 20 IBGD Cc1nc(N)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795666873 BRMHFSPJFCLHRC-GNXNZQSNSA-N 445.505 -0.451 50 20 IBGD CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795737001 RSQBNBUKJRVZOW-OPVJXMOQSA-N 429.326 -0.699 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740277 NCVRYFLXLFUDQI-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1796746881 KOYNTZDYAQMDTI-CWPLJXCYSA-N 446.508 -0.384 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnnc2ccccc12 1796888052 CTXHWBFUMMIREO-VPTLXERWSA-N 446.272 -0.173 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 1797754461 YJFMNGOVQCYSGF-IDNLARJOSA-N 425.848 -0.187 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)cncc1F 1798241151 DPISGNJYTKNLTL-KSPBDQMDSA-N 425.436 -0.064 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1813028326 OQGNKYMLFLHAON-ZQIUZPCESA-N 437.884 -0.107 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820140594 LWFJTRPHUAWJKQ-SMDDNHRTSA-N 442.306 -0.261 50 20 IBGD COC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826502053 OYHNKLYXRJGOQU-LBPRGKRZSA-N 432.267 -0.595 50 20 IBGD CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1837713113 HTKDXPNHHPPPIB-HXUWFJFHSA-N 442.633 -0.458 50 20 IBGD O=C(Cn1cccn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919439 RTPYNYYPJQLDRC-UHFFFAOYSA-N 440.309 -0.125 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840034237 FUIXKURXYJPGBB-MEDUHNTESA-N 429.271 -0.377 50 20 IBGD CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1840183009 NTDRDNRPNRGLMT-NRFANRHFSA-N 439.557 -0.842 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840550170 GVMFPVSPSDVURQ-GXTWGEPZSA-N 445.307 -0.432 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845772356 GZWVSTUGSCXVEQ-UHFFFAOYSA-N 427.421 -0.923 50 20 IBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 730131257 PXCSHHVRLDIZAL-CQSZACIVSA-N 426.543 -0.483 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)N[C@@H]1CCS(=O)(=O)C1 749173111 HWFNTMQAIYVYNN-GHMZBOCLSA-N 436.537 -0.581 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751278858 CXFGYFOVDSTYDO-UHFFFAOYSA-N 432.505 -0.604 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 756813054 STVQAFSKNOCYHS-ZDUSSCGKSA-N 446.507 -0.925 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN(C)[C@H]2CCSC2)CC1 764283250 UCBRYJMTDGPQND-AWEZNQCLSA-N 428.584 -0.102 50 20 IBGD CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c2ccc(Cl)cc21 764426048 SHMHXAQHWVBTJO-NHYWBVRUSA-N 438.868 -0.189 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1777898342 LZFJVACEWYSTEQ-JOCHJYFZSA-N 449.276 -0.525 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1779034903 WSUFMNZKXLCHSL-FQEVSTJZSA-N 426.433 -0.457 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1784449450 GRAJEWDBTNTCEC-BTYIYWSLSA-N 441.492 -0.105 50 20 IBGD O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788601697 FZGHHFFYZNSWKJ-DTUAVKEFSA-N 442.325 -0.569 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(Cl)cn1)C2)c1ccc(B(O)O)cc1 1795734807 SJZJIXHTWSIHND-ZSBFGKGUSA-N 432.673 -0.880 50 20 IBGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1796599237 ALDUXLMCYLPIFT-CCWDJLKJSA-N 436.513 -0.894 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccnn13)C2 1797753989 NVHYYILOQFBZNO-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375887 WFIZPZYPYBPBPU-TZMRYXNNSA-N 435.289 -0.027 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CNCP(=O)(O)O)C2)CC1 1809663059 UVADZFFOVKAHBZ-UHFFFAOYSA-N 447.473 -0.685 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829773123 BQPFWRZWSXQSIG-NEPGBVGISA-N 429.901 -0.445 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1830736850 WWEQQXOXMFIXTI-MBOZVWFJSA-N 426.897 -0.354 50 20 IBGD O=C(c1ccnc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927512 QYXWPGUAUPQULF-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277196 FXAMASLDSDITKQ-ZBEGNZNMSA-N 445.318 -0.441 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837767856 NPSNBDYEQLGJJS-UGSOOPFHSA-N 449.838 -0.087 50 20 IBGD Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838392598 BQFXVXKUBMRRFU-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076463 PHKVRNPLGVGWEH-FHIRATQRSA-N 434.331 -0.803 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839964539 UXHKORAVTHZFPW-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843838437 CIFDCGPFNGGKTH-UHFFFAOYSA-N 443.570 -0.766 50 20 IBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729629587 ODNTVXLPHMPYMC-INIZCTEOSA-N 433.436 -0.288 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)cc1 751207353 WMTFGKJOOGQZPQ-FQEVSTJZSA-N 443.416 -0.367 50 20 IBGD CSc1nc2nc(C)c(CC(=O)NNC(=O)CNC(=O)c3cccnc3)c(C)n2n1 763825108 QDIMNWMCDMFDKV-UHFFFAOYSA-N 428.478 -0.022 50 20 IBGD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C[C@@H](C)O1 764226417 IIZNYWPMUHSNIG-XQQFMLRXSA-N 441.510 -0.676 50 20 IBGD COc1cc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1 765732460 UYHNXCFEUUCSLO-UHFFFAOYSA-N 444.448 -0.769 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 770211601 GLTGLEYNIYIFFT-UHFFFAOYSA-N 441.491 -0.685 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cnc2n(C)c1=O 772195060 IBNAQYMDZICSMA-UHFFFAOYSA-N 444.835 -0.637 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)COc2ccccc2O)[C@H](C)O)cc1 779512700 AYWMFRPIAWDMJI-UGSOOPFHSA-N 437.474 -0.045 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3([S@](C)=O)CC3)nc2)CC1 799716113 YNRGBOCPRAAQBK-MHZLTWQESA-N 430.556 -0.445 50 20 IBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 808088274 CULHWQQHAXBXNV-UHFFFAOYSA-N 440.526 -0.166 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815570305 YRCMUQIWKXRLOI-UHFFFAOYSA-N 442.375 -0.190 50 20 IBGD CCN(CC)C(=O)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 920814010 FQDRAXJCCCVKJE-UHFFFAOYSA-N 427.531 -0.488 50 20 IBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 1321911250 YTWYWVAMZUXMGF-UHFFFAOYSA-N 429.480 -0.936 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)nc1 1785706754 MWMYZTSVWYMBEB-YUDUHTQSSA-N 445.925 -0.322 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786109460 XVHIVJUUTMIQCO-RCBQFDQVSA-N 425.449 -0.618 50 20 IBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nn1C 1789401829 SIIKJZJBJTTXIX-DZKIICNBSA-N 436.513 -0.605 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nn1C 1797749765 PWACNPNBJHXPBO-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1799745402 FAARYXXPZLIFEY-CWPLJXCYSA-N 437.236 -0.106 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800515119 LYLFNBPRLVIGRB-ZWUHOBOKSA-N 446.932 -0.026 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1802034992 FFFHOAJGFGLSGF-LTCOOKNTSA-N 446.508 -0.807 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)ncn1 1803737101 AHSBORDFQNQLEE-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD CC(=O)NC(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815349982 BPOCLWZWKWKFLU-CQSZACIVSA-N 444.322 -0.037 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CCN1 1817479062 GVKDLYKVMWXJRT-RHSMWYFYSA-N 439.281 -0.078 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830538847 RSIZQZRHDCJHSQ-DCGLDWPTSA-N 449.346 -0.079 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725510 JFEJWFOXJMGIEO-QFBILLFUSA-N 437.884 -0.513 50 20 IBGD COC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833116120 FVPYAIFPNDTNIW-UHFFFAOYSA-N 431.342 -0.023 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1)c1cccc(B(O)O)c1 1834800702 ZWLCHTBKMBWQNO-UHFFFAOYSA-N 429.326 -0.678 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823108 JJCQHWONWQSCAO-DYVFJYSZSA-N 432.315 -0.082 50 20 IBGD CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835616136 AXLYTFVUFOMBHF-OAQYLSRUSA-N 448.524 -0.857 50 20 IBGD O=C(CCC(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929302 KEWXVOIBRVHKGS-SFHVURJKSA-N 444.215 -0.221 50 20 IBGD Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835929510 SEDGQTUAFBFYRX-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CN1 1839197523 ZXRUUWDOZLHFKN-GHJWDPDVSA-N 436.278 -0.341 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1ccnn1 1839711070 VJFOWXSZJHIHBL-JMSVASOKSA-N 434.266 -0.014 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 742055225 MFEBWUIGVXVWKT-NXEZZACHSA-N 442.523 -0.421 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)c3cn[nH]c3)CC2)cc1 748009909 FRADVTLRUYRBKA-UHFFFAOYSA-N 442.523 -0.966 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccccc1I 758047068 VLLFSCKXJLEHFX-MRVPVSSYSA-N 425.248 -0.081 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cn(C)c(=O)cc2C)cc1 763735796 MDWBMERYYFNLEJ-UHFFFAOYSA-N 449.489 -0.591 50 20 IBGD C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NNC(=O)c2cnn[nH]2)C1=O 771466807 LTTKLPHVYKLXFG-HNNXBMFYSA-N 436.226 -0.205 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)CNC(=O)OCc1ccccc1 794063757 QYPXBJZHDUHFFO-DTTOXWODSA-N 444.444 -0.387 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 799857224 RCKWTVBBLKJXMB-VXGBXAGGSA-N 446.555 -0.358 50 20 IBGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779157 TYGLKHJIHBRSDQ-MRXNPFEDSA-N 433.465 -0.652 50 20 IBGD COC(=O)c1ccc(Br)c(NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 815866276 WKMNIMIGBJCBHD-ZETCQYMHSA-N 437.272 -0.528 50 20 IBGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919884577 HCSWFCIVKWUPHO-ZDUSSCGKSA-N 448.523 -0.267 50 20 IBGD COCCn1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(C)n1 1306648301 NBPFOXBLCCEKIN-UHFFFAOYSA-N 437.526 -0.074 50 20 IBGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1317889009 IMBMWBOKPVZLPF-UHFFFAOYSA-N 425.559 -0.050 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1782213598 YUYDLKDEVJLLDR-IIBYNOLFSA-N 448.524 -0.870 50 20 IBGD Cc1cnn([C@H](C)C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1 1784449453 GRAJEWDBTNTCEC-VFNWGFHPSA-N 441.492 -0.105 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)nc1F 1792375186 WZVOVDIRETWBQN-CULMDFNYSA-N 446.414 -0.125 50 20 IBGD Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793882099 UWGNWUDEUXJRRZ-CWPLJXCYSA-N 427.266 -0.583 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nnsc1C1CC1 1796641657 YRXVHUDAMKFCJR-MIFYACCESA-N 442.306 -0.388 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800756087 FWBRJTDZCZCENT-DNVSUFBTSA-N 425.088 -0.647 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817470138 JOXFZLUAOSPTRS-WMLDXEAASA-N 439.281 -0.078 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1831641161 WJHPSXMOXJKCOF-LXIYXOSZSA-N 430.889 -0.552 50 20 IBGD N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835514067 ZBIVPVLNJMCGCF-GXFFZTMASA-N 427.296 -0.240 50 20 IBGD Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937172 QSKLQCQBGGNBFI-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939906 NJFSQVCBSHWVSM-BTYIYWSLSA-N 432.282 -0.948 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837118449 YEIQPQHWPPJWFH-HUUCEWRRSA-N 444.916 -0.163 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837754965 YLKCSRLSCBJVPX-IFXJQAMLSA-N 442.900 -0.405 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3ncon3)CC2)CC1 1837921149 GGNDQKVJRNZWOW-UHFFFAOYSA-N 428.254 -0.325 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1841924385 GNDVRYGWJJXMIR-STQMWFEESA-N 445.948 -0.085 50 20 IBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845441224 OFKWJOXTOGLFDV-UNOMPAQXSA-N 437.261 -0.046 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc12 742036778 PQHARSCCGXXAKM-UWVGGRQHSA-N 427.508 -0.356 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)N[C@@H]1CCS(=O)(=O)C1 751362395 OINTUIWGCDNBQC-UKRRQHHQSA-N 448.505 -0.067 50 20 IBGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)ccc2O1 751547656 JHYNUZDIIHHOFX-OAHLLOKOSA-N 437.430 -0.114 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)c(C)o1 755623297 QQZHNEUQLRPUSH-UHFFFAOYSA-N 429.480 -0.088 50 20 IBGD CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 758513738 TYHFTMGSWPHAHK-LBPRGKRZSA-N 446.389 -0.126 50 20 IBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(F)ccc2Br)CC1 759787530 RKFSTIDXUKNGNE-UHFFFAOYSA-N 437.291 -0.074 50 20 IBGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763812117 CVDBRGOPUIJRRE-UHFFFAOYSA-N 445.457 -0.228 50 20 IBGD Cc1oc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1S(=O)(=O)N1CCCC1 763825037 PEFHSCHYSFLIAK-UHFFFAOYSA-N 435.462 -0.041 50 20 IBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)=NN1c1ccc(F)cc1 764343683 QGHJXSPJNNJIIA-HNNXBMFYSA-N 427.396 -0.782 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 766650486 UTCFVFWFXKJADX-FQEVSTJZSA-N 444.580 -0.330 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1C 773493153 VIHVUPGGOSDGSD-UHFFFAOYSA-N 429.481 -0.273 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)n1cnc(C#N)n1 798346989 WFXSZQMVEOMTGW-LBPRGKRZSA-N 433.450 -0.807 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814327409 GKJAIKNKGACRKD-CYBMUJFWSA-N 430.425 -0.872 50 20 IBGD CCc1noc(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779634607 BNIVUHBIVVYSLT-NRFANRHFSA-N 427.266 -0.017 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779876663 BPDGOLCWWNKTGR-MRXNPFEDSA-N 426.271 -0.196 50 20 IBGD CC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969870 PSWOEJFZEZMVDY-PGRDOPGGSA-N 447.536 -0.067 50 20 IBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2)C(=O)C(=O)O 1781541814 ZEPPHXDCAABIFT-SJKOYZFVSA-N 448.314 -0.172 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783156057 ABNOHFHLOKZKHN-ZDQJMWCWSA-N 430.465 -0.914 50 20 IBGD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1783244373 SJMFMOQCNMIWGO-XWCIJXRUSA-N 449.982 -0.040 50 20 IBGD O=C(CCCn1ccnc1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784395748 AZRHKRJSXROQSP-NRFANRHFSA-N 426.282 -0.513 50 20 IBGD CN1CCCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607778 GYJOVKVEOXBZPR-QZHFEQFPSA-N 444.536 -0.237 50 20 IBGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1792970415 CDMINZXVEHCOKN-NTODXPRQSA-N 438.525 -0.462 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795732282 OFPJKYRYIRDGIZ-ORXSELOVSA-N 439.270 -0.596 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1C=O 1795747610 BWIGLAILCRNISC-REGYPHIPSA-N 439.277 -0.555 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c[nH]c2nccc-2c1 1796194738 DXKWWQUVXMNKAD-IZZQQSIFSA-N 434.261 -0.289 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799684760 PMUULXRBGPCXGE-KBRXKUPHSA-N 435.905 -0.327 50 20 IBGD Cc1nccn1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800275775 JSEBQXFTQQDMKC-ZSBFGKGUSA-N 427.465 -0.907 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@H]1c1cccnc1 1806912046 IXTCVDPTTOXZGG-PGRDOPGGSA-N 446.552 -0.207 50 20 IBGD Cc1nn[nH]c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354597 KZRVBICSJRKDEV-GFCCVEGCSA-N 426.267 -0.211 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830210224 JRUYGRQVIBKWPA-UWVAXJGDSA-N 442.896 -0.215 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnco3)CCO2)C1 1831932178 DZGWUSOIFZAHPV-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801151 RLBKDIMHXQOFGG-KKSFZXQISA-N 444.385 -0.075 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930668 TURMFGGQGAIUHD-NRFANRHFSA-N 442.281 -0.910 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc[n+]([O-])cc3)CC2)CC1 1836054220 LTWLUCNOYXBSJX-UHFFFAOYSA-N 446.552 -0.122 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837754964 YLKCSRLSCBJVPX-AUUYWEPGSA-N 442.900 -0.405 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1 1838755181 CTTPYKHESQBJSL-RDTXWAMCSA-N 429.905 -0.297 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203310 HVMFSAAWQWMRAN-TZMCWYRMSA-N 445.307 -0.432 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840358007 QBYWFWUGWKYBEU-SFHVURJKSA-N 425.562 -0.024 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840829805 QQVKMGCPNWUVBP-QZTJIDSGSA-N 432.468 -0.139 50 20 IBGD Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c(=O)[nH]c1C 1844263819 YLHPKLJCJBLKCP-UHFFFAOYSA-N 425.449 -0.484 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)CN(C)C)c([N+](=O)[O-])c1 733360783 SOTNDZROYOYBND-UHFFFAOYSA-N 431.471 -0.287 50 20 IBGD O=C(CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NNC(=O)c1cccc(Cl)c1 734839143 XGLAECKFEDULHY-GJZGRUSLSA-N 430.914 -0.812 50 20 IBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 751303801 WZRWKOVLPSXPEZ-CYBMUJFWSA-N 425.463 -0.644 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 758031636 XFBAQAKSRBVCAD-NSHDSACASA-N 435.510 -0.738 50 20 IBGD Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 763500769 LVLMRDJCUWKZHK-NSHDSACASA-N 434.902 -0.252 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cc(C)on3)CC2)cc1 766636255 NKRAPUYSSLJPCU-UHFFFAOYSA-N 435.506 -0.012 50 20 IBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 768271650 DPHXNLBVXMABAW-AAEUAGOBSA-N 434.515 -0.766 50 20 IBGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783429092 ZUAIPYCBVQQRPJ-QGZVFWFLSA-N 446.551 -0.099 50 20 IBGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784003965 GEVBKNMYADQSKX-UHFFFAOYSA-N 426.389 -0.005 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 792796477 FDEBOMQAKLXMMG-LJQANCHMSA-N 434.449 -0.163 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 799258970 LXWQFTRZKWOUAI-CJNGLKHVSA-N 436.465 -0.258 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)c1 913148831 HAEGKTZKPBEWCU-CYBMUJFWSA-N 425.467 -0.534 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778462817 LKWBRRXNLUJAGN-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CCc1noc(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779635269 QYOLYUUMSUTPLL-NRFANRHFSA-N 427.266 -0.017 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)no2)C1 1779801451 AEEOEYIZGDQDCK-FOIQADDNSA-N 444.448 -0.180 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782757827 MBXQYMNKXJWVMF-GCVGFEQUSA-N 442.480 -0.197 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21)[C@H](O)CCl 1784092020 DELSCDATWVSGRS-VRXFMZDNSA-N 427.929 -0.033 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785153076 FLSMKKKJYHYTHX-BJDJZHNGSA-N 431.287 -0.651 50 20 IBGD C/C(=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2)C(=O)O 1785415159 PDZMEYPQBZWZBK-MLAUFCOQSA-N 431.449 -0.019 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981887 FDTBKBNLFGOBMM-UHMOLFJZSA-N 430.310 -0.224 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975534 UCSRRKCQEHZFHF-XHJNMGKDSA-N 435.905 -0.939 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(Cl)c1)C2)c1ccc(B(O)O)cc1 1795732579 XNTWPYNQWAPORF-ZSBFGKGUSA-N 445.668 -0.363 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1F)C2)c1ccc(B(O)O)cc1 1795736227 OOURJLCJRDNXOR-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD CN(C)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739990 ZNSJIOYMDRSWGU-RMFSNUHRSA-N 437.305 -0.051 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1C=O 1795747989 KGXJSNVISCKNDC-DFYYWFRZSA-N 439.277 -0.555 50 20 IBGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801011177 LJFWEMQTHJEDRN-CCWDJLKJSA-N 436.513 -0.894 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1808409046 KVEZMIRAKNNXKQ-QGXOGZIWSA-N 428.449 -0.468 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)O1 1824572156 FRFSPRWEPRHBFM-MSOLQXFVSA-N 429.282 -0.292 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)n1)CC2 1826085968 HVWGVKCVCKTDGT-VIFPVBQESA-N 449.493 -0.057 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1831640480 MOQWXERVLIEGCY-FZKQIMNGSA-N 430.889 -0.598 50 20 IBGD C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798061 PIRAJHNCDOZFFO-QGZVFWFLSA-N 441.337 -0.410 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834912461 GNKCRBDDTUWKBP-FNLSEGDXSA-N 427.408 -0.158 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413604 HBIYROUDAIAFOI-SUMWQHHRSA-N 432.315 -0.151 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1839966995 WBXIVVPJDRTEMK-IGCXYCKISA-N 432.315 -0.248 50 20 IBGD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)CN1C1CCCC1 1848038676 DPHZEVLOISMIPH-UXPWSPDFSA-N 439.321 -0.027 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 728509653 KFMRRLOFKFOMCC-YFKPBYRVSA-N 434.279 -0.061 50 20 IBGD O=C(COC[C@H]1CCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746385745 LIZJSJWOPMVFPI-OAHLLOKOSA-N 427.479 -0.336 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)c1 755397094 DQEZMUUFZJYFIB-UHFFFAOYSA-N 444.491 -0.145 50 20 IBGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763818947 RCUUZNQFZFNXMK-UHFFFAOYSA-N 425.854 -0.166 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OC1CCOCC1 764229952 GENDMKZMZOZAEY-LBPRGKRZSA-N 442.494 -0.424 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n(C)c1=O 764819933 XFUUFQHDIBPFKL-UHFFFAOYSA-N 443.376 -0.737 50 20 IBGD CCOC(=O)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636166 LJUAXMCWMWIIRH-UHFFFAOYSA-N 426.495 -0.598 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 767244333 QJEMLCQVJNJDSS-UHFFFAOYSA-N 433.446 -0.802 50 20 IBGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 773656165 BOLFDRHONQOGGS-UHFFFAOYSA-N 441.510 -0.496 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1C 794072495 WVXUGKHNTZUMSY-UHFFFAOYSA-N 438.466 -0.919 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 807368391 CVFVKALLMQHBCR-LLVKDONJSA-N 430.483 -0.611 50 20 IBGD NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNC(=O)CC1CC1 819114636 OEEVEYOYUNHFJY-ZDUSSCGKSA-N 440.478 -0.682 50 20 IBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 819659548 WLEOROKGFIOPEB-ZDUSSCGKSA-N 436.531 -0.263 50 20 IBGD C[C@@]1(NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1 915922031 VVWJBEYATDENBR-QGZVFWFLSA-N 446.551 -0.412 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNC(=O)c2ccco2)cc1 916259486 KBNPDXNKQGIILJ-UHFFFAOYSA-N 437.478 -0.031 50 20 IBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)c3csc(N4CCOCC4)n3)[nH]c21 920274525 AXJPOQIRWXCKHU-UHFFFAOYSA-N 448.465 -0.951 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1783936385 VGOSUDGQPPIFJM-FQEVSTJZSA-N 434.497 -0.518 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784084151 MGNZJPDYPWNNDA-LXFSFDBISA-N 449.932 -0.549 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21)c1cccc(B(O)O)c1 1786982319 XHRKGMJXWQUCMB-CBVHJVASSA-N 428.250 -0.714 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3cccn3C)[C@H]2C1 1791695270 MMUDGLIZNQEYKS-ZOBUZTSGSA-N 433.509 -0.440 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCc2ccoc2C1 1793123149 MWNOFUZUQPWWEO-UGNRZPKXSA-N 438.289 -0.032 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3ccnc13)C2)c1cccc(B(O)O)c1 1795738750 DQDOLURALMOJHE-HGKCTWBKSA-N 434.261 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799190003 WMYUSUHCGHCTQD-QDMKHBRRSA-N 441.492 -0.286 50 20 IBGD CN(C)CC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806461102 XSEWPMHCEIQCLW-BEFAXECRSA-N 425.493 -0.039 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1808409045 KVEZMIRAKNNXKQ-OAKSSPRASA-N 428.449 -0.468 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819792933 DSOZGNZQPZATQK-PELKAZGASA-N 445.461 -0.524 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831464142 JUFCDCHUDZKSSN-ZQIUZPCESA-N 440.946 -0.623 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478747 ZKSDYJTULIWZQV-SJKOYZFVSA-N 444.282 -0.061 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506015 KJAACHYSQDJMPD-ZWOKBUDYSA-N 440.928 -0.338 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839412891 RFKIWNKJSRQCNU-MAUKXSAKSA-N 443.840 -0.030 50 20 IBGD COc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCOCC1 730576755 VMGLOIINJXBTPI-OAHLLOKOSA-N 439.490 -0.182 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1C 734685000 CQFIEIABQODDFZ-SFHVURJKSA-N 432.525 -0.021 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc([C@H]3CCCO3)n2)n(C)c1=O 756003314 NGYFHDBMQLFQDN-SNVBAGLBSA-N 433.450 -0.797 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc(C(C)(C)C)ns2)n(C)c1=O 756358684 WPHIOJDBSPVDQL-UHFFFAOYSA-N 435.470 -0.564 50 20 IBGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 757649865 JXLCIZMWMVAFIR-STQMWFEESA-N 430.465 -0.295 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 762360419 BEVKJXCIAMBMDZ-UHFFFAOYSA-N 427.508 -0.045 50 20 IBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 763850661 PLTVPRYYJFWTFB-GFCCVEGCSA-N 444.423 -0.290 50 20 IBGD CCNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 770770471 ZZGBHXLALIYVOA-AWEZNQCLSA-N 425.515 -0.553 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780785283 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O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980038 BPRTVVQRFRCVFJ-RNQOJCNYSA-N 430.310 -0.081 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cccn1 1791638990 CFRHIFMNYRXBQO-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C)s1 1794177236 CZDMCJQGRAPNFN-CWPLJXCYSA-N 443.334 -0.114 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794565016 IXEGVRWJIOMXJD-ZPLRYINRSA-N 441.448 -0.481 50 20 IBGD O=C(CNC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190404 UZRIOFDOAXVVHU-BTTYYORXSA-N 427.188 -0.703 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440227 NSCHPLKIRXRIRC-COFVYEFASA-N 446.508 -0.375 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)n1 1796798972 DURKQUACBJRQTA-JGPRNRPPSA-N 427.421 -0.548 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2 1797754178 NDHGBTSFMXLIDB-DUSFSJTESA-N 425.449 -0.675 50 20 IBGD COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C3)CC1 1800554458 WMASJWRDZPGADU-QQGSHNGGSA-N 445.476 -0.337 50 20 IBGD Cn1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cc1O 1815354774 CTFTVLFMHQUHLZ-GFCCVEGCSA-N 441.278 -0.198 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1cc(=O)n2[nH]nnc2n1 1816668805 SDLOQSXNYBWDAA-IMTBSYHQSA-N 438.857 -0.905 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1cc(=O)n2[nH]nnc2n1 1816668806 SDLOQSXNYBWDAA-MUWHJKNJSA-N 438.857 -0.905 50 20 IBGD CN[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)C(=O)O 1817369852 UMFRQCLUZQIPLV-KGLIPLIRSA-N 437.501 -0.163 50 20 IBGD CC(=O)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799446 CFFRFIXDWPJRIG-LLVKDONJSA-N 445.505 -0.106 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830559574 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O=C1C[C@H](Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)C(=O)N1 764169040 SHCAYEQDUPXBOT-WMLDXEAASA-N 436.424 -0.019 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 764227402 NTKQPNFEVQKTOI-MRVPVSSYSA-N 439.416 -0.205 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CCN2CCCC2)cc1 764227656 PMAJQRFOYRWQNA-CYBMUJFWSA-N 425.511 -0.652 50 20 IBGD Cn1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nc1Cl 769834623 XKHZYAPPVBYWJW-UHFFFAOYSA-N 440.913 -0.159 50 20 IBGD O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)NNC(=O)C(=O)N1CCCC1 776056069 PJKUZLXBVALEHM-DLBZAZTESA-N 428.493 -0.462 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 777940176 XKAMXCIDRCSEPI-UHFFFAOYSA-N 442.494 -0.007 50 20 IBGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc21 778437967 OBVKLUVYPPTXBS-UHFFFAOYSA-N 449.468 -0.337 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1S(=O)(=O)NC1CC1 816886097 PLOVPEKTXSMZKP-GFCCVEGCSA-N 434.478 -0.249 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NN/C=C1/C(=O)NC(=S)N(CCOC)C1=O 920978881 LUFVDSBZHKJONQ-BENRWUELSA-N 430.490 -0.007 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)CN1CCN(C)CC1 1321610423 PQHLCJXRWDMSPU-ZDUSSCGKSA-N 425.559 -0.132 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1777899045 PTUDFCYSCWBWAP-QFIPXVFZSA-N 449.276 -0.525 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1779030558 CFUZEONOIYDFLD-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783284365 NZJQCNBHNAGSOB-DHSLWRBWSA-N 447.496 -0.697 50 20 IBGD Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796747159 CSKMIXIDUZCGPK-RBLKWDMZSA-N 435.706 -0.015 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799349725 KBMYDYMWPLZPPV-YXZBHFDYSA-N 426.239 -0.669 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1800977731 WOYWBNPNGRVCAC-WHRXGGIHSA-N 435.905 -0.327 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802615169 VOLPYFZAPHIGSY-CBGDNZLLSA-N 444.536 -0.013 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(CO)on1)CC2)c1ccc(B(O)O)cc1 1815343582 BECHOTWILGLCQN-GFCCVEGCSA-N 442.262 -0.157 50 20 IBGD O=C(CCn1ccnn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347735 MXTAXMPCURCVQS-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822029894 WFYZRDLZZUWVME-HIFRSBDPSA-N 431.921 -0.058 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1830725128 FVWWFUYLXBNUKP-CFLQYTFWSA-N 440.880 -0.118 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1835930162 AFQWLGYVFJCRIG-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1835938147 NGCFOFMYYCXTOJ-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(F)(F)F 1840185325 OHZGXYLIYDLMMV-QGZVFWFLSA-N 436.431 -0.066 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=S)NCC3CCC3)cc2)CCN1 727869123 BMERUBYPHWBTIV-UHFFFAOYSA-N 425.536 -0.284 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1 732307204 BRFLMYGUYXAFBD-CQSZACIVSA-N 431.536 -0.138 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 763029451 DQTKHARZUZTYIL-MEDUHNTESA-N 432.458 -0.397 50 20 IBGD Cn1nnnc1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 772586036 WYTVXQIYLCLTAB-UHFFFAOYSA-N 436.498 -0.429 50 20 IBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789063337 JWDXIYLSFVYKNV-HOTGVXAUSA-N 437.478 -0.003 50 20 IBGD O=C(CN1CCC[C@@H](N2CCCS2(=O)=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 789372844 BTMIWWWSUUODTD-OAHLLOKOSA-N 425.467 -0.144 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 920383895 HONQTBAKZYEDJF-ZDUSSCGKSA-N 432.528 -0.347 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778358978 QMIMHUHFEQQGSM-APWZRJJASA-N 430.933 -0.766 50 20 IBGD CCOc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1 1780427721 XJVZQXCHDSYVSZ-NRFANRHFSA-N 440.265 -0.688 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783534261 HGMSMBDJJMRYFC-VFZGTOFNSA-N 440.258 -0.961 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784596734 VLWHIMAFGVJSSO-XNBYFLLNSA-N 443.468 -0.802 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785437307 HJDLOBINJVIFJW-UHMOLFJZSA-N 440.309 -0.508 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982197 QUSIEXRXERIQDI-LEAZDLGRSA-N 445.325 -0.736 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21)c1ccc(B(O)O)cc1 1786983946 XDDODUSDCWPVRQ-CHZZJNJQSA-N 428.294 -0.473 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)n1cccn1 1791639973 UQXJLEPPOWLUGR-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1794342228 MROKLSSBSHJSPG-HBCWATKFSA-N 434.497 -0.549 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccn3cn1)C2)c1ccc(B(O)O)cc1 1795734557 SSQNPQRVIVCTED-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD Cc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737353 UYXAIXLEFOKNGB-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1800975041 IUOQGDYNPJYAOE-PQCBQTOFSA-N 432.930 -0.368 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363151 BRTHLKXIHGLHAI-OXQOHEQNSA-N 447.260 -0.110 50 20 IBGD CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312151 KOXKLZOFRJBNED-OAHLLOKOSA-N 434.006 -0.358 50 20 IBGD COC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834432942 GECDKVMEGLIRJY-UHFFFAOYSA-N 445.325 -0.495 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835936879 HDOPYGUGPPOBJL-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839081251 ZBSLCEMISMQZQB-ZFCANOHDSA-N 443.928 -0.557 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202311 AIGOAWWSDVZJKU-GOEBONIOSA-N 448.245 -0.942 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840234093 TYIQTAWYKULQER-OGHNNQOOSA-N 432.315 -0.248 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840862442 GCCHGYZSVDCLIN-UTKZUKDTSA-N 448.350 -0.420 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1846384341 GEBVPFUOCHNCBO-UHFFFAOYSA-N 437.522 -0.325 50 20 IBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O 746093044 AZCJDDNBNDZFEJ-AWEZNQCLSA-N 425.511 -0.892 50 20 IBGD COc1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCOCC1 755412887 IXELQXXTQPRIOK-UHFFFAOYSA-N 438.466 -0.165 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 755653914 DCSPNUGUJJYSIF-LBPRGKRZSA-N 427.483 -0.222 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)CNC(=O)c1cccnc1 758357579 UZELZFXYMPVDKU-CQSZACIVSA-N 448.480 -0.526 50 20 IBGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763996918 SVFJZOTZSPLGFI-KRWDZBQOSA-N 441.444 -0.561 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccccc1OC)CC2 764138275 ARIDODYVCMJGMB-UHFFFAOYSA-N 446.485 -0.118 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)c1cccs1 765382666 ODKAWDXFJUUGJF-NSHDSACASA-N 435.487 -0.136 50 20 IBGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)cn1 783349237 FRXGQZXMZFMDMC-UHFFFAOYSA-N 444.521 -0.315 50 20 IBGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 811678456 AWMCKAVFHUWEQM-NSHDSACASA-N 429.476 -0.942 50 20 IBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(S(=O)(=O)CBr)CC1 815965005 ZJHKETOJYZOUHL-TXEJJXNPSA-N 434.312 -0.236 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 816879903 YLEAQDZBLGYXCF-CQSZACIVSA-N 434.478 -0.441 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCC(=O)N2CCOCC2)nc1 916251450 REWKMORVUWGWIE-UHFFFAOYSA-N 428.515 -0.013 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)NCCCOC)o1 920862596 AYZGVFSEZKRAGY-LBPRGKRZSA-N 446.482 -0.024 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)no1)C2 1779372636 QKMKVLKDLICRRJ-FOIQADDNSA-N 444.448 -0.180 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782277714 RKPNXPZKXROYFJ-OAQYLSRUSA-N 440.265 -0.897 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1783935428 SHPHGRQTLUALIH-LJQANCHMSA-N 447.521 -0.097 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1800975962 ZOIXXKJZNFMYCO-AICCOOGYSA-N 449.932 -0.285 50 20 IBGD O=C(Cn1ccnc1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805878765 NMWLIJNWMHMNMY-GHTZIAJQSA-N 433.277 -0.022 50 20 IBGD Cn1nc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cc1O 1807360537 CEFMPAGQFQBHAM-OXJNMPFZSA-N 449.276 -0.166 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1807869238 ICFRJMIFVFARFI-BBRMVZONSA-N 435.448 -0.168 50 20 IBGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccc[nH]1 1832873605 USRUIFVWIFUGHC-BEFAXECRSA-N 442.900 -0.809 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102449 SLZBLTXEQQHPQF-QHCPKHFHSA-N 442.516 -0.133 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835261893 VJFSWNZNBCIZQX-BXUZGUMPSA-N 427.317 -0.729 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838835478 YKFMTKPWJXIQJB-FZKQIMNGSA-N 430.889 -0.248 50 20 IBGD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839273703 KSLZNLOZEPABNJ-MAUKXSAKSA-N 443.840 -0.030 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1840149825 AWAKWVMUCGQVKA-SCLBCKFNSA-N 428.873 -0.191 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840154803 HGTXZSNSYALQAV-CXAGYDPISA-N 436.962 -0.819 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1840182531 MTMIGUVGKORLIY-LJQANCHMSA-N 426.539 -0.163 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185917 WETRTIYESCYOTE-OAQYLSRUSA-N 435.525 -0.223 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841299936 MTMXGLFSPCJAMK-CQSZACIVSA-N 441.529 -0.552 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843316809 CVGOAPMCGJRJMK-UHFFFAOYSA-N 436.432 -0.436 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)C 10214337 INBWHNXAKVPSLP-GFCCVEGCSA-N 433.508 -0.422 50 20 IBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 738505473 KWDXIJZJYZLDIV-BETUJISGSA-N 432.481 -0.799 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 740812405 HQKBFCBKMIGTKM-NSHDSACASA-N 440.478 -0.262 50 20 IBGD COc1ccc(C#N)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756280044 XTNDXIRMVNMACO-UHFFFAOYSA-N 426.393 -0.833 50 20 IBGD CCCN(CC)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 766643968 MXAIXCKEVDAOSP-UHFFFAOYSA-N 442.480 -0.474 50 20 IBGD CSCCNC(=S)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 770240963 SGLVLLXAOILIIG-JTQLQIEISA-N 431.565 -0.455 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 792802326 XVLQHCBOPVVZKX-LJQANCHMSA-N 429.433 -0.300 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793216040 UTFMEXXXRCEYCY-HNNXBMFYSA-N 441.510 -0.085 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 812726907 MFPRWGPTROQDRV-JHNDHUHGSA-N 436.490 -0.068 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nnc(C)c(O)n2)c1 817283197 XUCBXNYPFNQDCO-UHFFFAOYSA-N 437.482 -0.211 50 20 IBGD COCCn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1=O 917919130 MSNLUDDVKACMNY-UHFFFAOYSA-N 428.854 -0.130 50 20 IBGD O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(S(=O)(=O)CBr)CC1 1116573455 KTNAQSDQERIJEO-UHFFFAOYSA-N 436.332 -0.402 50 20 IBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)nn1 1320275591 OSHKLYALUOJNPH-UHFFFAOYSA-N 443.493 -0.138 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1338052352 OLMWXJAQOKCJCJ-RYUDHWBXSA-N 436.483 -0.015 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032043 KXDRETVAOTYBCI-HXUWFJFHSA-N 427.465 -0.218 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)n1 1779232547 FFTBQAJJGRGPOJ-LIRRHRJNSA-N 426.901 -0.284 50 20 IBGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)n1 1780270750 TYZSSJADZAIDEF-OAQYLSRUSA-N 425.250 -0.467 50 20 IBGD Cn1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979775 GFJRDXJPIWPSSP-IHPCNDPISA-N 440.309 -0.674 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nn[nH]c4c3)[C@H]2C1 1790539030 ZYLVRHNFSSZRRJ-MPGHIAIKSA-N 443.508 -0.076 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)cn1)C2 1796441002 JISXNWDEUWJVNL-NDMOTNCASA-N 427.465 -0.243 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797779323 FUTMMNCCDFEGOW-ZTENYAIWSA-N 433.513 -0.760 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797807891 FLOUVPDOKAAUDE-QFRSUPTLSA-N 434.331 -0.600 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818691 ZBZRUKRMHNUOQT-KBYGAHRFSA-N 439.513 -0.522 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1801011639 WUDNOOBRLBYREL-FVCICTRLSA-N 429.481 -0.466 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803666811 ZLVZDCNKCOHFDJ-WIBUTAKZSA-N 438.293 -0.408 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807196969 ZMYVPBOGXNNGRU-DLTWYDFYSA-N 425.917 -0.066 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cnnn1 1826972851 QLQSWSUXPYQIAZ-ZWNOBZJWSA-N 441.282 -0.704 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)CCO2 1830497077 XETODTJCTIJZTN-YVHKJVDXSA-N 443.504 -0.199 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832319921 FIENSOLYMMPCKW-UGSOOPFHSA-N 430.889 -0.598 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3sccc3F)C2)C1 1835927485 POLLMGZYTSRWAW-FQEVSTJZSA-N 448.281 -0.049 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839215511 WOMXGVLDAKXYTC-GHJWDPDVSA-N 436.278 -0.246 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839643233 GBWAUZSAWIIRGZ-OXJNMPFZSA-N 427.546 -0.844 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1840153447 OQWDCZPJGFIPER-YZVOILCLSA-N 441.916 -0.013 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840184011 NPBZTVSTFFYLSR-IRLDBZIGSA-N 448.520 -0.451 50 20 IBGD CN1CCN(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1840188117 PFOLJWMTXIUVRD-GOSISDBHSA-N 437.368 -0.116 50 20 IBGD CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1845759262 NTYWQUJSEIFWQH-YDZHTSKRSA-N 433.538 -0.192 50 20 IBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 728437606 UPJHNASOLLNWCS-CYBMUJFWSA-N 432.524 -0.515 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)n1 728730120 HGJOZSAVSIJSPZ-NSHDSACASA-N 437.478 -0.062 50 20 IBGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746594238 LHMNXVXRPVRHNG-HXPMCKFVSA-N 449.489 -0.497 50 20 IBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc2n(C)c1=O 755846255 JMFDIDWLPUJIFF-CQSZACIVSA-N 426.389 -0.375 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)CCN1 764274884 FZDPLTNJSJENDF-UHFFFAOYSA-N 427.417 -0.507 50 20 IBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 776626382 BKSBFWDQSZAQJX-JBXOJTMHSA-N 439.515 -0.040 50 20 IBGD C[C@H](C(=O)NNC(=O)CNC(=O)OCc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 794061490 HRWBTWWLKDYJPS-RGTXSCMUSA-N 444.444 -0.389 50 20 IBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 802066106 PWLJNXZLNPKEBC-UHFFFAOYSA-N 439.475 -0.260 50 20 IBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 813495379 YUWRSYVZEQLWQF-INIZCTEOSA-N 427.527 -0.801 50 20 IBGD Cc1cnn(CC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 917541718 MPQPSVOZNORLTH-UHFFFAOYSA-N 435.506 -0.007 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788510425 IXALCELRXJUVNX-TWLHIMTCSA-N 441.337 -0.700 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2)c1ccc(B(O)O)cc1 1795734669 YFVXGYFWURXZAO-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1SC(=N)NC1=O 1796875131 NSQBIQFPIDJBKP-IRHMCKRBSA-N 444.322 -0.579 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797750704 POYKWGQZZKQYEN-DPIQGUFMSA-N 442.432 -0.992 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797807890 FLOUVPDOKAAUDE-IQNXINDISA-N 434.331 -0.600 50 20 IBGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nn1 1801011768 AICCMVFPGICRIE-HBCWATKFSA-N 434.497 -0.549 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835541082 PXNJLUJTHPUUDP-SWLSCSKDSA-N 427.822 -0.815 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1836516561 GVTZDHPCCBSSDA-GDBMZVCRSA-N 441.909 -0.597 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839151968 JPWWWQTVMLSLKV-CABCVRRESA-N 431.338 -0.276 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1840569965 JGMQMEPSATYVRZ-VQYZLWMVSA-N 446.508 -0.862 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1C 725883620 DTQQLFIQYUDQMZ-UHFFFAOYSA-N 443.507 -0.738 50 20 IBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 728960224 XGHJYKPNKNMYBZ-INIZCTEOSA-N 441.448 -0.105 50 20 IBGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C(C)C 753655314 GJSZHRMDMVHKSG-UHFFFAOYSA-N 443.464 -0.143 50 20 IBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1=O 754822199 FVLOPDWNUAPTHP-MRXNPFEDSA-N 443.869 -0.531 50 20 IBGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1[C@H](C)C1CC1 758045318 IFESJMAUGVSCGQ-LLVKDONJSA-N 443.468 -0.237 50 20 IBGD C[C@H](CNC(=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)S(N)(=O)=O 763639783 RVYXNWHKAVHPNY-MRVPVSSYSA-N 426.373 -0.975 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 764401915 ZKLDUYIYBFUNRB-HNNXBMFYSA-N 449.508 -0.860 50 20 IBGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764428483 ILALZTXWZWWYHU-LLVKDONJSA-N 449.201 -0.199 50 20 IBGD Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730843 OXRIQJYYGJEUGQ-UHFFFAOYSA-N 449.471 -0.011 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1nc2ccccn2c1=O 766639680 ABPBCLNMZGPNER-UHFFFAOYSA-N 437.460 -0.899 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)n(C)c1=O 766644687 PEERZVMXHJEPJM-MUUFFUEKSA-N 432.456 -0.110 50 20 IBGD COC(=O)c1ncsc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851718 SWRDFAOLLYXMBQ-UHFFFAOYSA-N 448.342 -0.082 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)NCCCN3CCN(c4ncccn4)CC3)nc21 770342419 SRIADVNCQNHRPV-UHFFFAOYSA-N 427.473 -0.303 50 20 IBGD CN1CCN(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1=O 780928367 YIVLBHXYVQLAIX-UHFFFAOYSA-N 436.944 -0.621 50 20 IBGD CCN(CC)C(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 800724338 LNYJZELQLLTABY-UHFFFAOYSA-N 435.525 -0.049 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781841390 WCJUCWXBMOLEPM-GPMSIDNRSA-N 435.949 -0.959 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092637 OKKQFJWCBRRUCG-UVPYHEFZSA-N 434.873 -0.939 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785155313 MBMGPHHKAGEEQM-NGDQXYMTSA-N 431.287 -0.652 50 20 IBGD Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1785371722 UEZYJIPSFYPCHS-WBAXXEDZSA-N 441.492 -0.516 50 20 IBGD Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)c(C)n2n1 1787911820 ZTMCGGMRURQFLY-AJNGGQMLSA-N 436.900 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1791291435 VEWSGNKHGPYTER-XIRDDKMYSA-N 443.508 -0.304 50 20 IBGD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792237194 CACVDOQXYPITEZ-YFKTTZPYSA-N 435.955 -0.574 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1792884630 UEALUCUHEFDSTJ-XHJNMGKDSA-N 435.905 -0.939 50 20 IBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1C 1794986693 MGDMBLCLHQMUHV-HGKCTWBKSA-N 433.509 -0.025 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186731 WTZSLUGLQWSSAV-CLLJXQQHSA-N 430.469 -0.958 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969708 OURGFJYGDSPFDT-SFHVURJKSA-N 427.310 -0.168 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1830535822 UAUOJNDZHRUBOZ-LRDDRELGSA-N 430.303 -0.084 50 20 IBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)c1cccnc1 1832728290 IKEGNWYILVOFIS-MAUKXSAKSA-N 428.848 -0.198 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838954320 DDZFVJWPUYVGNU-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840033100 UCDONUIKUGCSHB-MGPLVRAMSA-N 445.270 -0.259 50 20 IBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC(C)=O 254557469 ACQVPVJIGTUPJK-UHFFFAOYSA-N 428.405 -0.482 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)c3cc(Br)c[nH]3)cnc21 728503556 VYEYXDPPZUARPG-UHFFFAOYSA-N 443.239 -0.252 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CS(=O)(=O)C1CCCC1 765738859 PJTSKCLXDJXLIQ-UHFFFAOYSA-N 436.534 -0.051 50 20 IBGD CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766637390 SKJZUIBZAFQZKM-GFCCVEGCSA-N 442.432 -0.749 50 20 IBGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)c(OC)c1 779844523 KZSIBBLFEISWRW-UHFFFAOYSA-N 438.484 -0.488 50 20 IBGD Cn1cc(C(=O)CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 792772731 MROKXMFZTKLTDD-UHFFFAOYSA-N 449.489 -0.135 50 20 IBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O 818514440 PKAZGIMXSLUPDV-BTDLBPIBSA-N 426.426 -0.825 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCC(=O)N2CCN(C)CC2)nc1 916433171 FAFNQLCSRXYQJH-UHFFFAOYSA-N 441.558 -0.098 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC(=O)N3CCCCC3)nc2)CC1 916473639 WLPGAIYMPCSJDD-UHFFFAOYSA-N 439.542 -0.344 50 20 IBGD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889616 QAGAZSKGTHDFCL-SNVBAGLBSA-N 426.476 -0.478 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318796445 CIWKPODIDQCNLV-VDERGJSUSA-N 428.449 -0.997 50 20 IBGD Cn1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984506 NBPOHEUXLFPLLQ-IHPCNDPISA-N 440.309 -0.674 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21 1788610563 GNPQIYXFWJZLML-NUTKFTJISA-N 440.460 -0.307 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2)c1cccc(B(O)O)c1 1795737357 VSVYYIAGTSQFGX-CWPLJXCYSA-N 425.250 -0.956 50 20 IBGD COc1cscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739068 TXLCAPWYEUOYTH-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c[nH]nc2c1 1796167280 VGLFSKORTKIZSH-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799193073 UIFYXSIWFVDZKE-YVSFHVDLSA-N 428.961 -0.390 50 20 IBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799349727 CCLIIKYFMJVYEH-QKGCVVFFSA-N 449.932 -0.549 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801370700 QVLAVZOKDWGDGR-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833409435 AYJWORWBTSATIW-MEDUHNTESA-N 431.287 -0.021 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(Cl)Cl)C4)C3)cc21 1834564648 GBIGUFCAUCTARP-QGZVFWFLSA-N 446.291 -0.500 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837210950 AOZKKUYQFJMHSH-NHYWBVRUSA-N 428.269 -0.689 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715379 NGPPKWVHBZJXKO-QAPCUYQASA-N 447.561 -0.641 50 20 IBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725739695 MDFNUGGZWYJZJB-UHFFFAOYSA-N 438.462 -0.296 50 20 IBGD Cc1c(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc(C#N)n1C 734123897 SCTCFXLAIDVNNR-LDADJPATSA-N 445.549 -0.251 50 20 IBGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 735039684 CJFWTKXHAKULQE-RYUDHWBXSA-N 433.508 -0.378 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)nc1 753691162 RVJJIQJYICCWMR-GFCCVEGCSA-N 434.544 -0.182 50 20 IBGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764204380 NDMQNOJUPSGZGF-UHFFFAOYSA-N 448.217 -0.275 50 20 IBGD CS(=O)(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766660381 LQDZAIFQKHRQHY-UHFFFAOYSA-N 431.946 -0.456 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766660472 MQKUTTMHBUOHAL-CYBMUJFWSA-N 431.946 -0.457 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1 770436445 VMESVXPNPBHRCF-GOEBONIOSA-N 427.527 -0.335 50 20 IBGD NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nc1Cl 805574238 YYXPEUUBHASFLW-ZDUSSCGKSA-N 434.792 -0.022 50 20 IBGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)c2)nn1 812978911 DQUOCSMHQKUCKB-UHFFFAOYSA-N 440.420 -0.347 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)CCN1 812980444 VIRNUWCAVKSZFW-UHFFFAOYSA-N 440.416 -0.074 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@H]1CCS(=O)(=O)C1 915880452 MQMDENNGCCCCBS-AWEZNQCLSA-N 444.535 -0.008 50 20 IBGD CCn1nc(C(=O)NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)c2ccccc2c1=O 1318450896 WHIQJPVOVYUUQY-UHFFFAOYSA-N 443.508 -0.087 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1783934466 GPEQUYRVPUGRRY-QFIPXVFZSA-N 443.504 -0.254 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1783936839 VKCMOSUIVFNXLF-OAQYLSRUSA-N 432.525 -0.036 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1783937001 ZSPYDPOXYGVDOQ-OAQYLSRUSA-N 432.525 -0.036 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980037 BPRTVVQRFRCVFJ-LEAZDLGRSA-N 430.310 -0.081 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3cncc13)C2)c1ccc(B(O)O)cc1 1795734187 HRHDUOVUKFPQST-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2nccn12 1799996663 REBJWQCMRSZVAI-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cnnn1 1807367300 KBXJELSEJJJBSP-LJHODMEESA-N 449.280 -0.671 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978771 PQBTZASLEOBCTP-INIZCTEOSA-N 427.310 -0.098 50 20 IBGD CN(C)C(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795668 RASINEHAZLGJFO-SECBINFHSA-N 431.478 -0.544 50 20 IBGD CC(=O)NCCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799450 CFFRFIXDWPJRIG-NSHDSACASA-N 445.505 -0.106 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840037275 XLCPHWQQFLDHHX-HUBLWGQQSA-N 431.291 -0.526 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264202 NLXDBNFXNJYVCB-YVEFUNNKSA-N 444.282 -0.849 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840866996 BUXNGCKVPGANBN-UZLBHIALSA-N 442.582 -0.041 50 20 IBGD O=C1CN(c2cccc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H](O)CCl)n2)CCCN1 1847556204 GAPJXFNJMXXAOV-JYJNAYRXSA-N 435.912 -0.177 50 20 IBGD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931046 LVTSODBZILATEY-MRVPVSSYSA-N 444.263 -0.373 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)c2scnc2C)c1 729509087 UOTFZULGVOREIM-UHFFFAOYSA-N 426.480 -0.058 50 20 IBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 730514429 HKUPGWWIYWMJJO-UHFFFAOYSA-N 445.461 -0.683 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccncc3)c2)CC1 747323963 UZNMYJNQPVNMFO-UHFFFAOYSA-N 445.501 -0.062 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)n1 763882495 UQQUFTPGSWPDAD-UHFFFAOYSA-N 448.505 -0.513 50 20 IBGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 764228202 VPPKJBCEZSPDCQ-XQQFMLRXSA-N 441.510 -0.676 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 771239559 AEGABUYNWMQNBR-ZMZPIMSZSA-N 438.462 -0.956 50 20 IBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1115970795 NKMQCBUGAIMQCJ-UHFFFAOYSA-N 435.510 -0.607 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1777864917 QFTOCNJOOYIDHO-UZLBHIALSA-N 436.896 -0.080 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H](O)C2)C1 1778764707 PWRLKENKEXHPPH-AMLORBGZSA-N 431.493 -0.417 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1783533789 JCQDBSKIYJQWIH-RDTXWAMCSA-N 445.358 -0.236 50 20 IBGD Cc1cc2nnc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)c(C)n2n1 1787911824 ZTMCGGMRURQFLY-XQLPTFJDSA-N 436.900 -0.066 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n(C)n1 1794746155 OCBLKDYFPATDRL-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD Cc1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccn1 1795737361 WCFGBEIJGNYECU-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1C)C2 1796444175 ZNUUIENUGQEDAV-HGQKDGAKSA-N 441.492 -0.085 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1813070499 IBWVVPMSIOCENE-BEFAXECRSA-N 429.485 -0.853 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1813071033 MGCCKQRAGKXFQU-OXJNMPFZSA-N 444.540 -0.700 50 20 IBGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1OC 1830731415 JHMIIHOMOYWRLD-ORAYPTAESA-N 443.884 -0.232 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831424690 MGWLKQMNUMEQPF-HRAATJIYSA-N 432.282 -0.973 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833900614 ZLMWAZWVPKRGGR-UHFFFAOYSA-N 434.545 -0.627 50 20 IBGD C[C@@H](CN)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737009 RALYTARCPJWMBF-AWEZNQCLSA-N 431.541 -0.535 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836150755 WWRNTPUIWCQNQY-SWLSCSKDSA-N 431.291 -0.697 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837410461 NSVKZPNNUOSYEJ-RXVVDRJESA-N 430.266 -0.871 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839155075 HUPKCDRGBIZZTM-QZTJIDSGSA-N 447.319 -0.064 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1839966996 WBXIVVPJDRTEMK-IIYDPXPESA-N 432.315 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840183413 CPPAXMSTHNXZSN-HXUWFJFHSA-N 436.465 -0.917 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C)n1 1840183704 VCBIYBOWQXRYRH-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184059 PIZDPVPWIPITPX-LJQANCHMSA-N 438.485 -0.992 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186075 ZCBOESIBXAJGOB-KBXCAEBGSA-N 434.921 -0.930 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)C[C@H](C)O1 732261267 BWYJVDGYPFFPDW-GJZGRUSLSA-N 430.513 -0.013 50 20 IBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1=O 733125591 ORRGSOCUKIDJHH-RDJZCZTQSA-N 426.481 -0.244 50 20 IBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2cnn(C)c2)c1 735443564 DZUFDJHLEIWEHC-UHFFFAOYSA-N 436.494 -0.418 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@@H](C)O1 741284042 KQYWLINMZLBWQP-GASCZTMLSA-N 441.529 -0.288 50 20 IBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)CSc2ccccc2O)CC1 763498186 ZEWQGZHJZXWWHE-UHFFFAOYSA-N 431.540 -0.608 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2O1 763548611 NUXDSCGOVABIAX-MRXNPFEDSA-N 426.385 -0.284 50 20 IBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCS(=O)(=O)N3CCOCC3)nc21 770371726 WRAXXOQNXSHVOR-UHFFFAOYSA-N 442.502 -0.425 50 20 IBGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NNC(=O)c1ccccc1Cl)C2 786432654 OLKFJQGEZLODOO-UHFFFAOYSA-N 435.872 -0.937 50 20 IBGD Cc1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n(C)n1 807223122 ZHRFIHKQDKVGPR-UHFFFAOYSA-N 436.494 -0.106 50 20 IBGD O=C(CCn1c(S)nc2ccccc2c1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889211 KERFAMCQXBDNIB-SNVBAGLBSA-N 425.492 -0.407 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779258480 XGYORDOQXOXIGE-SPLOXXLWSA-N 446.508 -0.567 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1782172400 UERCHWBYRRCNEM-SJBDTSRBSA-N 430.889 -0.648 50 20 IBGD O=C(NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)c1ccc[nH]1 1784085232 DIZKQMSCHNSYBB-UGQVUOCMSA-N 426.901 -0.286 50 20 IBGD Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)c(C)n2n1 1784090426 FSSBRCSSTAIQBJ-XQLPTFJDSA-N 436.900 -0.066 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)n1 1788729795 VICXIZCLKHZXOQ-JONQDZQNSA-N 440.928 -0.134 50 20 IBGD CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)CC1 1789925188 BWPWQODPTQYRFU-RZLSGREXSA-N 435.338 -0.096 50 20 IBGD CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)no1 1793996918 FFESPJUVAHJANQ-CCWDJLKJSA-N 442.281 -0.681 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc[nH]1)C2 1797748625 NCOUCKVKTORGKL-IVWMJMPLSA-N 427.465 -0.756 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797973553 ODTAMIVJIRESIY-DFYYWFRZSA-N 438.293 -0.535 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CCN3C(=O)C=CC3=O)C2)CC1 1806386104 APAMSAMBUUQLJS-UHFFFAOYSA-N 447.536 -0.094 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369237 CORYJINBLXFJEW-WIYYLYMNSA-N 433.277 -0.022 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068197 JRNICRUUVHGOOQ-AKCHCHLHSA-N 432.525 -0.028 50 20 IBGD Cn1nncc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793805 UBXKTJKWWWPHEI-SECBINFHSA-N 441.477 -0.190 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837698778 RRNXLXPEFPIUHE-DNVCBOLYSA-N 427.574 -0.015 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1cncn1 1840420630 PYMSKUIRUCLEQF-XUJVJEKNSA-N 434.266 -0.014 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1841858273 WMZIITCGTFNIPH-QGZVFWFLSA-N 439.321 -0.026 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846340292 JNHCOXWJFQOZDS-ZWKOTPCHSA-N 426.278 -0.061 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Br 1848072016 SLCHJQMGSBCMLJ-GVXVVHGQSA-N 426.308 -0.391 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)c1 1848326736 UIRBBIUGXGJEIU-ROUUACIJSA-N 443.290 -0.706 50 20 IBGD C[C@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1cccn1 728331074 AAPZAAGFONJLGH-CZUORRHYSA-N 445.432 -0.567 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NN=C1CCOC1)c(=O)n2Cc1ccccc1 731923861 HTDOZGPRLAVLDS-UHFFFAOYSA-N 440.460 -0.053 50 20 IBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686687 SLUYYEBBVSNWFX-MRXNPFEDSA-N 443.508 -0.072 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1cnccn1 755408654 NKZMHSDMCYLOCC-UHFFFAOYSA-N 436.450 -0.027 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(Cc2ccccn2)nn1 765733988 TZUNCBKLGJQDNY-UHFFFAOYSA-N 448.487 -0.060 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 765735261 JAWVWKCSEIQSQE-UHFFFAOYSA-N 435.462 -0.854 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3nc(S)oc3c2)n(C)c1=O 766644002 NJPSDIFCNOVJKU-UHFFFAOYSA-N 429.418 -0.675 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1sccc1-n1cnnn1 766644926 XRMVKQIUGZETFL-UHFFFAOYSA-N 440.489 -0.057 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(S)[nH]3)CC2)cc1 800693513 UKLBHGARAIJRGZ-UHFFFAOYSA-N 438.535 -0.226 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 806541623 GJUOPNWKDDVUQK-MRVPVSSYSA-N 425.464 -0.834 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 810106939 RXNSNOPOZKWAOP-UHFFFAOYSA-N 430.464 -0.566 50 20 IBGD COc1cnc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1 815827264 RNGIFDBIOBWNMS-UHFFFAOYSA-N 448.505 -0.439 50 20 IBGD COc1ccc(CC(=O)NNc2nccn(C)c2=O)cc1S(=O)(=O)N1CCOCC1 1318919168 LDYYAFDBBKLUPS-UHFFFAOYSA-N 437.478 -0.504 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778243937 SLYCKENIBPOXKI-OFNKIYASSA-N 436.273 -0.186 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1780948841 KUQLNCCYQNMHJW-JOCHJYFZSA-N 449.276 -0.905 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980974 HTQIIFFXAKTZGO-SZMVWBNQSA-N 426.282 -0.387 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640700 WIIABNUJYCTNCO-KSWRQPAISA-N 448.900 -0.285 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1791063389 HDAVNRROEOBMFN-RHYQMDGZSA-N 434.287 -0.708 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791065302 UPCSOSGEDPIWQJ-VOAKCMCISA-N 428.283 -0.326 50 20 IBGD COCCn1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n1 1796189201 JRYALBOUOFLHOP-BCDXTJNWSA-N 426.282 -0.225 50 20 IBGD O=C1Cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc2N1 1797328976 MTDRJIQMOPHUQQ-UPHUGPLXSA-N 449.272 -0.622 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2cncc2c1 1797507533 SIOKGROSMOQFND-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CCOC1)C2 1797754405 UXUSDQXXDSEXRR-ZTENYAIWSA-N 431.493 -0.295 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1797942074 REISPFAVDKTRSR-KGZFWBCBSA-N 444.492 -0.599 50 20 IBGD C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800190418 CWRLGMRPYKZWCB-RMYQPGKMSA-N 437.305 -0.157 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)c1ccco1 1800238555 NRRIMLSHWPSWLG-XOIINTDNSA-N 434.204 -0.045 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1801009066 OAYOUUDODPPWFD-USGNIVHTSA-N 434.493 -0.266 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801405131 FSNDXRKRHBSFQH-IHSNIMORSA-N 433.509 -0.189 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360381 KMADHQWHAMCMIR-QFBILLFUSA-N 447.260 -0.110 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1813028322 OQGNKYMLFLHAON-JKIFEVAISA-N 437.884 -0.107 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831463656 GVMPTAGGVOWSFT-IAQYHMDHSA-N 431.338 -0.073 50 20 IBGD COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831623793 FDMPFLFWMFXULU-PPWPJBLKSA-N 449.508 -0.141 50 20 IBGD C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927525 RJRKAWNPWDIGSN-FQEVSTJZSA-N 434.323 -0.644 50 20 IBGD C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933793 DNECIBSWAHUDAI-HXUWFJFHSA-N 434.323 -0.644 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253480 KBRRGELKZHYFGI-NEPGBVGISA-N 429.901 -0.469 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459388 FCAPMOLIPAMQMH-YCRPNKLZSA-N 448.524 -0.905 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182479 JSKVNXHSXCRGRF-PKOBYXMFSA-N 430.571 -0.230 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131125 YDMOOMHYMPKVKI-UHFFFAOYSA-N 438.510 -0.972 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2)NC(=O)NCc1ccccc1 1845039407 MSWZISCRYAMWOH-KRWDZBQOSA-N 442.520 -0.328 50 20 IBGD CON(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 16786204 FOKBIXGICPFTAJ-SNVBAGLBSA-N 439.899 -0.282 50 20 IBGD Cc1sc2nc(CC(=O)NNC(=S)NCCNS(C)(=O)=O)nc(O)c2c1C 727067462 JJGNFRYWSZPQEU-UHFFFAOYSA-N 432.553 -0.399 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1C 729276724 LCESVEURZRCIAF-GFCCVEGCSA-N 434.540 -0.276 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 742032768 AGXXOOCMBGEPAH-ABAIWWIYSA-N 437.478 -0.309 50 20 IBGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)N1CCCC1 748247666 UJLWQIFJRRVHKJ-CQSZACIVSA-N 435.506 -0.090 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 758046336 HKMDPWLCCFTRTG-RKDXNWHRSA-N 433.468 -0.654 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 764226304 HRGRPTCLLZIVDA-GFCCVEGCSA-N 442.494 -0.484 50 20 IBGD CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 782078218 SZHFSRBPQGDJLH-INIZCTEOSA-N 437.522 -0.062 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 793222128 VHCYUYUEALLKOO-UHFFFAOYSA-N 446.464 -0.924 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1 807482728 YUDUWUWOTHLHDY-CYBMUJFWSA-N 446.551 -0.088 50 20 IBGD CC1CCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 808067822 DCLNWSDYUAGZKR-UHFFFAOYSA-N 446.551 -0.081 50 20 IBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1321681625 FAKPASQUUGETFE-UHFFFAOYSA-N 429.481 -0.570 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779325116 LYWHYFQYFDKIRP-OPAMFIHVSA-N 438.293 -0.295 50 20 IBGD CCOC(CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)OCC 1783937779 OJVGSVDSPJFYCE-FQEVSTJZSA-N 428.530 -0.022 50 20 IBGD CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293187 MZTHWLKIOIWBKP-JONQDZQNSA-N 430.571 -0.547 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791625893 REUGLBLVVMRFIT-LQJIQPLVSA-N 440.309 -0.508 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ncc1[N+](=O)[O-] 1796603191 JMBFAJNOMFCFRF-HBCWATKFSA-N 448.480 -0.126 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnn1 1798055089 OWSMJFVGFRTNQJ-NDMOTNCASA-N 425.449 -0.186 50 20 IBGD CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798154958 XKLJGVKNIZLQIZ-ZSBFGKGUSA-N 441.492 -0.021 50 20 IBGD NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799348519 JJGCACLAEKXHGQ-NHRVJRKFSA-N 430.234 -0.531 50 20 IBGD COC(OC)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363779 FQEKOOLWECFSNN-AEFFLSMTSA-N 427.266 -0.300 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1813028038 IWTVLRHUATWZMQ-YXWQFLTLSA-N 437.884 -0.061 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719554 FWGQPHKMGLLMRT-IQUTYRLHSA-N 449.932 -0.044 50 20 IBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830727979 MIXZDTDUPFEZPJ-DNVCBOLYSA-N 440.884 -0.290 50 20 IBGD O=C(c1cnc2snnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731766 MMQGESDIMPLPLA-SUMWQHHRSA-N 441.897 -0.244 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830736989 CBSYXYGGXWOJSI-QMTMVMCOSA-N 427.885 -0.095 50 20 IBGD O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CCN1 1834826651 SQVBXJXJNJPOBE-GUYCJALGSA-N 432.315 -0.246 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C(=O)C3CC3)CC2)CC1 1835734444 IQZOXNGOUJFQLU-UHFFFAOYSA-N 442.520 -0.151 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837478062 WPXIXOANINYJIE-DEYYWGMASA-N 427.889 -0.667 50 20 IBGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839717062 PSTCIHWUXLTQBP-FQEVSTJZSA-N 436.513 -0.979 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840322269 SEVNFFMQDKHCBI-RISCZKNCSA-N 426.239 -0.511 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1840509203 ZVIAFTRXBHJFDO-NRFANRHFSA-N 436.509 -0.040 50 20 IBGD CCc1sc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1C 736779773 FNTAORNBZOSLMS-UHFFFAOYSA-N 443.507 -0.365 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(S(N)(=O)=O)c2C)n1 754327703 REOOOCCYUNZNTH-UHFFFAOYSA-N 426.476 -0.046 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c2ccccc2O1 763659448 OELSCOYGIYIWBY-QGZVFWFLSA-N 442.428 -0.238 50 20 IBGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784000144 WYOWEWOZCTVURZ-UHFFFAOYSA-N 439.494 -0.527 50 20 IBGD CN(CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1cccnc1 802063614 MPOBCXIXMULBMR-UHFFFAOYSA-N 441.491 -0.042 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 810458177 UJQRVSHPPQEUEU-OAHLLOKOSA-N 446.551 -0.423 50 20 IBGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 918134369 KARDXZXEVCVXBS-QGZVFWFLSA-N 433.531 -0.553 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ncccn1)C2 1782209008 GNQHJHQKEQXMLN-IIBYNOLFSA-N 432.525 -0.094 50 20 IBGD CN1CCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc2C1 1782558396 IVUVFUKNCZWGIZ-VQIMIIECSA-N 425.917 -0.238 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2)[C@@H](O)CCl 1792976234 RDXPPHGOKNYRFP-DACLVMHWSA-N 438.912 -0.279 50 20 IBGD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1793908070 ZTWRLCPZDBIMDK-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3[nH]ncc13)C2)c1cccc(B(O)O)c1 1795739145 YHXJPKHXCQKKDL-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800638533 LIASCAIIBZMQDE-BMQTXXJKSA-N 432.521 -0.447 50 20 IBGD CC(=O)NC(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335615 HUZLDBODGABFAA-AWEZNQCLSA-N 444.322 -0.037 50 20 IBGD O=C(C1CCC2(CC1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735041 CBZAUENDTOADGB-VQIMIIECSA-N 446.928 -0.024 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835114402 GBZYBXLMCQZWAH-IIYDPXPESA-N 432.315 -0.248 50 20 IBGD O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)ccc21 1837147820 VQFOZCZONJCXRG-JXFKEZNVSA-N 437.880 -0.400 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201074 QZWIRXXJBOVKKJ-LRDDRELGSA-N 438.294 -0.095 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839963358 INOOWTVSMMVXAK-DCGLDWPTSA-N 432.315 -0.105 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840033115 UYLCWQPLIIYHNN-CXAGYDPISA-N 434.331 -0.002 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840152100 XKUZKDWIFGDTLH-DNVCBOLYSA-N 427.885 -0.442 50 20 IBGD N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1840814012 JXKPIWUSVILRCU-OAQYLSRUSA-N 442.476 -0.551 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)c1cccc(C(=O)NNC(=O)Cc2cccnc2)n1 728981632 GMZHAJXWNCIJSU-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 730569104 NIJYZPCFFKWSHI-UHFFFAOYSA-N 440.507 -0.980 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N[C@@H]1CCS(=O)(=O)C1 732061088 BAWXHCSLQGRUPU-ZJUUUORDSA-N 445.479 -0.222 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C(=O)N1CCCC1 748247406 ZYFYZPJTFVOPSP-CYBMUJFWSA-N 446.526 -0.005 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 758034530 GZIOEPUHFUHXJC-SECBINFHSA-N 438.915 -0.567 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 763996114 BSGSFKQWZZKHNB-QWRGUYRKSA-N 425.463 -0.071 50 20 IBGD COC(=O)c1cn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)nn1 766669247 PLIKWCSFBVMIHN-UHFFFAOYSA-N 449.899 -0.317 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)[C@H](C)O)cc1 779507939 APDWPBKJHDKTQU-BLLLJJGKSA-N 438.462 -0.807 50 20 IBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 787380112 QYFGCPZDDJKGEU-NIFLVVHWSA-N 432.502 -0.253 50 20 IBGD COc1ccc2occ(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 799695877 KIQLRNSJLSMJNO-UHFFFAOYSA-N 426.389 -0.350 50 20 IBGD CC#CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 801115231 VWUOGMUESDEFNO-UHFFFAOYSA-N 438.444 -0.775 50 20 IBGD CN1CCN(c2ccc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cn2)CC1 916247254 LJWZTPLMQZMKDM-UHFFFAOYSA-N 436.480 -0.047 50 20 IBGD CS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 920310700 XCMVVQKXYDYBJI-UHFFFAOYSA-N 440.438 -0.172 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029161 MEFIPCYNHUBODP-JXFKEZNVSA-N 432.481 -0.957 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1779034904 WSUFMNZKXLCHSL-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1782208263 BAURMWKMICKMIW-JOCHJYFZSA-N 434.261 0.000 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753256 GTMKMCYQAWOUON-MEDUHNTESA-N 434.287 -0.467 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)OCO2 1795312410 AHMCDDMFWFOBPH-MFKICJERSA-N 446.504 -0.080 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNc3ccccc31)C2)c1ccc(B(O)O)cc1 1795734806 SDLXSCCOJCSPJJ-NNNWTRQLSA-N 435.289 -0.221 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3O1)C2)c1cccc(B(O)O)c1 1795738746 DNOVKSBAOQMHBG-JWWGGVBKSA-N 436.273 -0.427 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1796893540 FSDSRZOFHDAOQK-MOINTJSASA-N 448.524 -0.955 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798355268 WBSSOTDWZNILPY-WISYIIOYSA-N 440.298 -0.190 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802327396 QOPRJFOLGRMZOY-NJEYBTAUSA-N 433.465 -0.447 50 20 IBGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1805319025 NAJFZXOBWYEENF-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810088994 VFVZSHGIWURJJH-DSJMHWKBSA-N 428.873 -0.248 50 20 IBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295750 XDVMRVSLGHMHKG-AUUYWEPGSA-N 439.476 -0.464 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812642758 JGWPRIZRDOJILV-GQIGUUNPSA-N 430.509 -0.404 50 20 IBGD Cc1nnc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)o1 1815354631 OAFNQYMGLBFICP-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD O=C1C[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CN1 1815360081 LPVPFVVOYBALEI-YPMHNXCESA-N 428.279 -0.815 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829953617 JTURRKREXKOQIC-HNAYVOBHSA-N 427.574 -0.180 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1830358552 OOCQEVATOARSLD-GOSISDBHSA-N 430.889 -0.740 50 20 IBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1O 1830720165 UQYBJSAIHKFMSR-OXQOHEQNSA-N 442.896 -0.001 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832319918 FIENSOLYMMPCKW-FZKQIMNGSA-N 430.889 -0.598 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833864522 JLBPWXIEZGJBGT-KDOFPFPSSA-N 430.889 -0.248 50 20 IBGD C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054271 QNBCBSFJYGRVLF-QFIPXVFZSA-N 443.504 -0.578 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840036917 SQTFZBYIGCVODH-PXAZEXFGSA-N 444.282 -0.849 50 20 IBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1840185956 XJQUVQLRDBHUDJ-FQEVSTJZSA-N 437.497 -0.266 50 20 IBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 731760682 VJLARSCMLSLHOJ-UHFFFAOYSA-N 426.543 -0.532 50 20 IBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1COCCO1 744642966 IORVQZNRCVNYEZ-INIZCTEOSA-N 443.478 -0.531 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)c(F)c(O)c2F)n(C)c1=O 755518244 UUTSHOOXNWBOIO-UHFFFAOYSA-N 426.311 -0.982 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 758028324 DRFWLAPKZUPKKO-ZDUSSCGKSA-N 446.551 -0.050 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cn2)C[C@H](C)O1 764034358 NTRYRSIVYLVYPX-STQMWFEESA-N 448.505 -0.091 50 20 IBGD O=C(C[C@H](C(=O)NN=C1CCN2CCC[C@@H]12)N1CCOCC1)NN=C1CCN2CCC[C@@H]12 765578015 QVROSAQHYCCDKO-SLFFLAALSA-N 445.568 -0.242 50 20 IBGD C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 776236236 ZPBQKFXBXFMMRC-IRXDYDNUSA-N 436.490 -0.168 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 810348391 MIWXNSGZEISYBZ-UHFFFAOYSA-N 437.482 -0.576 50 20 IBGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc(C#N)n1C 913286890 MRKXBQDREZDDHC-MFOYZWKCSA-N 426.477 -0.112 50 20 IBGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778114569 SIRIEFKNSLYJQH-XMSQKQJNSA-N 445.325 -0.734 50 20 IBGD COCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CC1 1784473960 HRIAOFSNCLQFGY-JQFCIGGWSA-N 431.493 -0.295 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(=O)c1ccccc1 1786340754 FWVDWRQKNWSNAB-IHPCNDPISA-N 436.273 -0.157 50 20 IBGD Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980013 YSQNVXBIHKZYBF-BPUTZDHNSA-N 444.322 -0.379 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2cncn2c1 1788426692 CFSPQWVQHQMSNI-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C(C)(C)C)nn3)[C@H]2C1 1789356812 OTLZIBJZTWRDJE-ZOBUZTSGSA-N 449.556 -0.001 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1791289044 FBOATGXDCIHKPX-JYJNAYRXSA-N 443.508 -0.304 50 20 IBGD COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1792964300 SYSCBFGTJAHZMA-OYNZLANYSA-N 444.293 -0.841 50 20 IBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C(C)(C)C 1793198598 PNKURNVIQSNRRL-QXGSTGNESA-N 439.557 -0.500 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N1C[C@@H]2C[C@H]2C1 1797751524 CRFPAPWSJCURQX-DRVLGICASA-N 442.520 -0.772 50 20 IBGD Cn1ncnc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1805279810 VGLSCTUJMHOWIV-WMLDXEAASA-N 449.475 -0.158 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072401 BVZPSRDFDQABLB-CFLQYTFWSA-N 432.525 -0.015 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1830535823 UAUOJNDZHRUBOZ-MLGOLLRUSA-N 430.303 -0.084 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1830538025 TXMJVMWJTFBLMS-OGHNNQOOSA-N 432.315 -0.248 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1831416357 QVEWGWZHUMYXSG-PKOBYXMFSA-N 427.310 -0.264 50 20 IBGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835629080 OFGAHXTYMADUKI-IBGZPJMESA-N 438.485 -0.992 50 20 IBGD Cc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935341 OTDOEOPBZFUJJZ-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840036919 SQTFZBYIGCVODH-SJKOYZFVSA-N 444.282 -0.849 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840156229 PFXYPVPOTROQOB-BLLLJJGKSA-N 433.918 -0.393 50 20 IBGD Cc1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183582 NDKALRTXUYWOKT-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728341112 FEOMGSCCRYZMLA-QGZVFWFLSA-N 443.412 -0.419 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cccc(C#N)c2)c1 728977340 GPAXKPOHDBXOJF-UHFFFAOYSA-N 429.458 0.000 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc[n+]([O-])cc3)CC2)cc1 766637086 WQXNLYQQIZHRHM-UHFFFAOYSA-N 433.490 -0.604 50 20 IBGD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 915242299 PRMINQBJKGRAAA-AWEZNQCLSA-N 438.418 -0.933 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(Br)cc2)cn1 915635873 UZQLHKCAKNZQGD-UHFFFAOYSA-N 446.283 -0.313 50 20 IBGD C[C@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c21 1777852101 XFOBULZZXBQQKS-RCDICMHDSA-N 438.293 -0.104 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1779268363 IFKHDIIKSBHBTF-IERDGZPVSA-N 433.509 -0.388 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1779373553 YPFMYMDKGJMWTL-CSODHUTKSA-N 428.493 -0.659 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781228194 ZCTNVZQKCLKNER-CVEARBPZSA-N 444.279 -0.508 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784629482 FIFZLVPWFOEMIR-YCRPNKLZSA-N 426.282 -0.424 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(O)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983760 RLQIURGWFFJOKR-JVPBZIDWSA-N 425.250 -0.626 50 20 IBGD COCc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1789211839 TVAXHCLCDHCGAA-QRFRQXIXSA-N 441.293 -0.252 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1791287964 IKFBJCKVMFYPKN-SZMVWBNQSA-N 433.509 -0.187 50 20 IBGD O=C(CCCc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794129522 PZPFGIWDPZUWKO-HATOLVCRSA-N 437.305 -0.013 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795604643 QVFQAOMAWXCKEF-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1837456780 NDRRUSGQBXENML-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD Cn1c(CC(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc21 742474758 VGYNTFWFSUMOAQ-OHHBCXFOSA-N 425.445 -0.184 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)Cc2cc[nH]n2)o1 755283914 FSCYNLDGZBCQMT-GFCCVEGCSA-N 439.450 -0.277 50 20 IBGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)CC1 763998020 CRRATQIVZHAJTL-UHFFFAOYSA-N 426.477 -0.259 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccccc2C(C)(C)C)n(C)c1=O 765126415 QYBXEAKOQASKHP-UHFFFAOYSA-N 448.505 -0.259 50 20 IBGD CS(=O)(=O)N(c1ccc(OCCNC(=O)NNc2ncccn2)cc1)S(C)(=O)=O 774301885 HHCKMDAJCMCSAD-UHFFFAOYSA-N 444.495 -0.093 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 799918761 ZFQRIPUSVUZSCI-LSDHHAIUSA-N 439.542 -0.259 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)CC2)cc1 913475087 DFDVCNSVDBLOHH-INIZCTEOSA-N 438.506 -0.088 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 919887151 ZRHBONDHYMOHEY-HIFRSBDPSA-N 446.551 -0.185 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036605 BPLSRQUJAMGKEX-NRFANRHFSA-N 441.492 -0.289 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783586022 YNBVHLSCMIOXHK-BHOPFYFBSA-N 429.477 -0.304 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784932873 QSNKHPXPFMRZAH-OAQYLSRUSA-N 431.493 -0.398 50 20 IBGD Cc1noc(N)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786836390 QAMLLBAJODBGSO-BPUTZDHNSA-N 428.254 -0.848 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788573260 NUDOSCVGCLPEIN-WNHJNPCNSA-N 430.310 -0.467 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788654808 DELXUHWEGRIJOJ-SLUQVRSJSA-N 438.352 -0.147 50 20 IBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1C 1794984058 QCYKSQVWOPTMBP-IZZQQSIFSA-N 439.277 -0.405 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795276096 CYGMNDKWNQQGHA-UPHUGPLXSA-N 433.468 -0.060 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754468 YMCJRXUMPQSNLK-YWVIFJGQSA-N 447.492 -0.522 50 20 IBGD COc1nc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798248364 DFKFGFZEDSSYMF-CCWDJLKJSA-N 433.509 -0.025 50 20 IBGD O=C1NCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Br)cc21 1799347068 DGDYTECMTUJEJK-OTMMVIPVSA-N 444.261 -0.480 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013049 RYNZMXMPNWIDJI-LJCCNALRSA-N 425.574 -0.073 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374784 NCCWOTDGOLYEDR-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331894 VDNSNGUTRZIWSX-VXGBXAGGSA-N 434.946 -0.405 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829995689 BRSFRAAXQPEZOM-SFHVURJKSA-N 432.468 -0.139 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830539478 HKTVGSCWDUUVKI-BDJLRTHQSA-N 431.287 -0.650 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831024013 NRJCBQMUWWMMQE-MLGOLLRUSA-N 434.287 -0.322 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1835936844 GLFKXTCVRPAQBH-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664766 NPXSTCZIKSBTRX-MSOLQXFVSA-N 447.319 -0.064 50 20 IBGD O=C(COc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839670375 FNMACSJBNRRDSZ-INIZCTEOSA-N 435.264 -0.179 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ccncn3)CC2)cc1 755373212 ACUSBMUFWRETMH-UHFFFAOYSA-N 446.533 -0.128 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)c(Cl)cc2F)n(C)c1=O 763589338 MYFOBHUAEWMRSU-UHFFFAOYSA-N 426.767 -0.174 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 763681053 IIRCTXSKRVWYQT-HNNXBMFYSA-N 449.423 -0.072 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 764225566 AFVLXPBNLSYQDN-LBPRGKRZSA-N 447.473 -0.038 50 20 IBGD CC(C)(C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 764301924 GYOAEIBJWYKNBB-UHFFFAOYSA-N 442.476 -0.194 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785658877 DZCJBULOTSXXMX-QGZVFWFLSA-N 443.460 -0.957 50 20 IBGD CCCOc1cc(OC)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 789814283 PADAVGLZCKYOHZ-UHFFFAOYSA-N 444.448 -0.308 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 806978410 ZYMABHVCLSZLKP-ZETCQYMHSA-N 432.256 -0.656 50 20 IBGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814534303 QUIKNQUMFOQYHJ-CQSZACIVSA-N 442.480 -0.036 50 20 IBGD O=C(Cc1ccccc1)NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 831528440 PDQIWQDROOYEKQ-QGZVFWFLSA-N 427.413 -0.124 50 20 IBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2C1=O 915187819 GXPYKXXIBYQIEH-UHFFFAOYSA-N 437.455 -0.061 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782277712 RKPNXPZKXROYFJ-NRFANRHFSA-N 440.265 -0.897 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnn2cccnc12 1788291049 XUJCZZBXZBOPLD-SNRMKQJTSA-N 449.276 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21)[C@@H](F)Br 1789921529 NNZJBMSQNCMERN-CENBSLRLSA-N 446.273 -0.028 50 20 IBGD Cc1ccccc1NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795697366 DHSDJOZWURYNRS-OPMZPASUSA-N 437.305 -0.010 50 20 IBGD O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807599505 VBWNGKUEDGZYAM-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD CN[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)C(=O)O 1809976876 UOEBXVGPSHPPGT-QGZVFWFLSA-N 431.298 -0.726 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810225515 MBJXQGOIRLXQKS-KUHUBIRLSA-N 429.481 -0.664 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1 1826661683 DJRSERWHXHZNAM-MOPGFXCFSA-N 427.310 -0.122 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831908345 XIGIKUMEOHNCMO-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD O=C(Cn1ccnc1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834265920 IUXGHSLZVOUUGC-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD Cc1ncsc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834271932 VFPAULQKLWRQBW-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834432608 OZIMEMAYPMXTQW-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842880648 LVTZUGTVRVJMBK-HNNXBMFYSA-N 447.448 -0.070 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)n(C)c1=O 1843362535 ZWAKTGMIQMZYAD-LBPRGKRZSA-N 426.836 -0.829 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CCC(N)=O 1848099230 ICNAFSWNDOUBCV-XUXIUFHCSA-N 445.948 -0.087 50 20 IBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 726089667 QOKCXJQQNWKTAW-UHFFFAOYSA-N 431.540 -0.198 50 20 IBGD CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728373144 YRCCYDXDUPGBSS-HIFRSBDPSA-N 443.547 -0.115 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 731963758 FXKDIWSFSRECNW-VHSXEESVSA-N 430.464 -0.157 50 20 IBGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 746278876 OFEDQUIPLFTWKS-OAHLLOKOSA-N 445.973 -0.200 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1 750289295 RGEPCOMUXFHVAO-UHFFFAOYSA-N 427.439 -0.245 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NNC(=O)COC)c1 764303878 QNOBSDFXPMJZBL-UHFFFAOYSA-N 429.499 -0.485 50 20 IBGD CC(C)c1ncc(Cl)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 766646429 ZUTVBSMRRFBCEF-UHFFFAOYSA-N 434.844 -0.538 50 20 IBGD Cn1cccc1C(=O)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806976647 JWSYBKNVIRHFIK-KBPBESRZSA-N 425.445 -0.178 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 816877679 ACRRQLYSJLBXJL-GFCCVEGCSA-N 434.478 -0.208 50 20 IBGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 919886636 SXHAJHOIBGXMQO-NSHDSACASA-N 436.487 -0.357 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnnc(Cl)c1 1785445380 DMSNBWIKUPTHHY-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C1(O)CCC1 1788607825 MDPGYGRAYFIVQL-BODMPHMZSA-N 445.520 -0.171 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(O)CC3)C[C@@H]21 1788610860 CJXTUAINYSDXOL-XXABDTRGSA-N 445.520 -0.171 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792581755 BAWFJKNVLBVJOT-OVSYPERQSA-N 444.492 -0.764 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2)c1ccc(B(O)O)cc1 1795733009 XETAFCQDWBGQJT-CWPLJXCYSA-N 425.250 -0.956 50 20 IBGD N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739679 ACCHMFKTOVBLNR-CWPLJXCYSA-N 437.236 -0.106 50 20 IBGD NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1798357204 HYJXJCGMMWZKLL-JXVAYASWSA-N 430.234 -0.531 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800759681 ZXMGRNPNILJWDH-DYNIEEOBSA-N 440.298 -0.328 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800970590 GUVBGRYIWVOSOT-QNSTZXKLSA-N 425.935 -0.842 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 1801013432 WHUDKSDIVLIHRX-IVWMJMPLSA-N 426.905 -0.501 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@H](O)CCl 1803139126 SZMFMILQSQAKRC-JQHSSLGASA-N 431.685 -0.319 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1813070189 DTIFXZUVRITQAY-GQIGUUNPSA-N 447.540 -0.947 50 20 IBGD O=C(CN1CCOC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815024896 KRPWDJPFRGUNJS-MRXNPFEDSA-N 441.253 -0.152 50 20 IBGD COCCOCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354865 VYXMBKKQKQBPPU-AWEZNQCLSA-N 433.295 -0.288 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1 1830210222 JRUYGRQVIBKWPA-FUHIMQAGSA-N 442.896 -0.215 50 20 IBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)no1 1832784004 SZIKGNBZMZMGAQ-UGSOOPFHSA-N 430.889 -0.208 50 20 IBGD O=C(CC1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835418618 UCWUOUFJQIAJFE-QFIPXVFZSA-N 446.309 -0.747 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835737842 GXDOREDNAPJQJC-KDYLLFBJSA-N 444.536 -0.359 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930608 PPLVEDOGYGQNOR-AVRDEDQJSA-N 446.309 -0.991 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935395 QEOWVXYDFPTELF-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)o3)C2)C1 1835937402 UENLXPNOWGRARN-HXUWFJFHSA-N 448.668 -0.003 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1837711979 YMFZKPTUQNNGHN-GOSISDBHSA-N 440.529 -0.191 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838116998 JOEAZYLUEGYMAZ-JXFKEZNVSA-N 449.895 -0.063 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271755 NRURLZPUVIFBNN-FIKGOQFSSA-N 440.541 -0.633 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC1 15639513 IFEJYDFFYIYGTQ-ZDUSSCGKSA-N 445.519 -0.325 50 20 IBGD O=C(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 728323028 RLWMGMOTTRMOOK-ICCXJUOJSA-N 445.350 -0.026 50 20 IBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733849257 YSZZKZPZERIJTJ-UHFFFAOYSA-N 437.478 -0.436 50 20 IBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCO1 742054813 JQHGOZCVXGBDHR-CHWSQXEVSA-N 434.515 -0.080 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1O 747336333 FYOAJAFOKAQPQS-UHFFFAOYSA-N 441.491 -0.284 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@](C)(O)C3CC3)CC2)cc1 756003737 UNGBIXNJQMUGSB-FQEVSTJZSA-N 438.550 0.000 50 20 IBGD C[C@H](C#N)Oc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757979012 WZFFJGRLEDDGIO-LLVKDONJSA-N 440.420 -0.423 50 20 IBGD O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 763936652 NKHPALJNBFYMQG-UHFFFAOYSA-N 448.867 -0.276 50 20 IBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764278112 RLHLQTFYNQZACX-UHFFFAOYSA-N 436.446 -0.226 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)n(C)c1=O 764516913 YBBNSXZQGVFMAW-UHFFFAOYSA-N 432.422 -0.640 50 20 IBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 784917070 GYNHDCVXCWJYIC-UHFFFAOYSA-N 440.526 -0.356 50 20 IBGD O=C(NNC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21)C(=O)NC1CC1 809969558 WABHZYILSDRWNA-JCTPFYOHSA-N 448.479 -0.108 50 20 IBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032283 IMZCOVRHQZZWSU-NRFANRHFSA-N 442.476 -0.083 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784374450 UTZYZMBBFIECKT-FRQCXROJSA-N 441.916 -0.459 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](N)c3cccnc3)[C@H]2C1 1786931472 BMSRPBGXTJIKKE-VJANTYMQSA-N 446.552 -0.176 50 20 IBGD CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788488527 YFKOQOQYVKQLCB-LNVLOAEVSA-N 436.339 -0.882 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789200982 AJESFSMYCFATCC-YXWQFLTLSA-N 449.895 -0.063 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(N4CCN(C)CC4)CC3)[C@H]2C1 1789807397 DVZIBSFEPVBMOC-FJIDUMEYSA-N 442.988 0.000 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1793318358 PQZMUTNFBSDBAT-HPCHECBXSA-N 425.935 -0.842 50 20 IBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799275414 XBQJIFDWHJNBIK-HRJSJKBJSA-N 429.109 -0.194 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)N1 1817474958 JHIOQDQHPFMTOX-ZBFHGGJFSA-N 425.254 -0.326 50 20 IBGD O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)C(Cl)Cl)CC3)CC2)C(=O)N1 1833712594 KHDKFRZPOVUORN-UHFFFAOYSA-N 434.324 -0.087 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cn1 1833993412 SGUOHUSSQZMONL-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835424235 NOFIXUKNNKHJII-NRFANRHFSA-N 440.541 -0.368 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640065 ILRFCVRZLKTQPR-GUYCJALGSA-N 446.346 -0.544 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837732176 SDOWSTTWPVVGFG-QFBILLFUSA-N 445.589 -0.555 50 20 IBGD CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1840207602 DWLMUWBAAZPDTN-CXRYXZAOSA-N 435.481 -0.388 50 20 IBGD O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308066 STOZMMXLQILOTN-AWEZNQCLSA-N 425.488 -0.300 50 20 IBGD CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 732408833 QLOWPHNBBKKMGV-TUYSUELWSA-N 440.412 -0.015 50 20 IBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCCC1 748247028 SQHLEECUQQSXEW-UHFFFAOYSA-N 444.897 -0.256 50 20 IBGD CC(C)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 751510940 ZEABPFWRSXVATO-UHFFFAOYSA-N 446.551 -0.072 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 755938288 PMTMCPOEYKAORM-SECBINFHSA-N 432.890 -0.633 50 20 IBGD COC(=O)Nc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755966034 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CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1Cl 1795734843 YKLBMGSHWUYQGN-FVCICTRLSA-N 446.700 -0.178 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCOCC1)C2 1797750430 CAWUJDQBPIYVOT-CCWDJLKJSA-N 431.493 -0.295 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799352045 JKJJRRLTJIIEHF-JUINOQSQSA-N 425.251 -0.118 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1800641232 SLMLSRXYJTVQSP-IVSAIRAKSA-N 431.375 -0.003 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cncn1 1807374596 LOOXSYQDXIRBHJ-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cncn1 1815361922 UMTNUXKPIPLPLZ-FZMZJTMJSA-N 440.294 -0.099 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CN1 1825199490 UWWHPZPBCZMDBT-WCQYABFASA-N 428.279 -0.815 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830723478 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CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201677 FNQNHZFIYLUYHY-RBOXIYTFSA-N 436.278 -0.246 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840152110 XLPKWWFOWJIYFQ-ZSZQSSIHSA-N 426.901 -0.208 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840156187 OSMRWUINVOZGND-KDOFPFPSSA-N 428.873 -0.434 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182309 GOHZFVZLCDYQOO-OXJNMPFZSA-N 426.514 -0.593 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551271 SVFVNRBTIPRDSF-BBRMVZONSA-N 426.919 -0.869 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1)NC(=O)NCc1ccccc1 1841649936 WXNBFYAYOUPYMP-INIZCTEOSA-N 444.492 -0.356 50 20 IBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559086 JEIMNSQGSOVRMH-MELADBBJSA-N 430.852 -0.014 50 20 IBGD O=C(COC(=O)CNC(=O)OCC(F)(F)F)NNC(=O)[C@H]1COc2ccccc2O1 728330254 HCKJRYPHGGUKAG-LLVKDONJSA-N 435.311 -0.195 50 20 IBGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)cc2)CC1 764399897 NIFJZBGCGDPUSB-HNNXBMFYSA-N 449.508 -0.398 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nccnc3N)CC2)cc1 766636916 VPJXZNLLFHYRLH-UHFFFAOYSA-N 433.494 -0.865 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 768639692 SQNZFXNGSCPVOB-UHFFFAOYSA-N 431.496 -0.438 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)n(C)c1=O 775986479 QXNLYHHOEAPBRJ-LBPRGKRZSA-N 433.391 -0.259 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 795958126 NNYMWUOQGFDKAU-UHFFFAOYSA-N 436.475 -0.520 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919888315 CBKKSYFSJZXTMZ-HIFRSBDPSA-N 444.535 -0.253 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCC(=O)N1CCOCC1 1115854436 FQMOJDOHPQJGEC-UHFFFAOYSA-N 426.499 -0.519 50 20 IBGD O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317977265 CQBPQTSUOJWBAY-CQSZACIVSA-N 430.527 -0.297 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1779028096 DDVWMKKWDRAGMO-IBGZPJMESA-N 445.867 -0.114 50 20 IBGD Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779031587 UFYYTDLXIHRABJ-LJQANCHMSA-N 445.505 -0.469 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc[n+]([O-])cc1 1779943160 UTOWZXCROGYWFA-DENIHFKCSA-N 439.277 -0.559 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783530286 WJCATTRDEPPZHJ-YVEFUNNKSA-N 428.283 -0.085 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(O)C3)[C@H]2C1 1783997296 LEYNFFMBSTZCAK-ZNRVUELVSA-N 431.493 -0.129 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786817965 LEAHSXAPDQYPJX-IGISWZIWSA-N 432.525 -0.348 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984323 DCLYEYALKZTEOB-JBACZVJFSA-N 437.305 -0.013 50 20 IBGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)CC1 1790721932 VXLOKIDPMJHEBO-JYJNAYRXSA-N 438.525 -0.318 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1790961059 GESUVTIORMVRLW-HPCHECBXSA-N 433.347 -0.268 50 20 IBGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288566 FPCQBRCQDXQXKX-DZKIICNBSA-N 436.513 -0.605 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791294014 YMJPBNBHQBZUJN-UGUYLWEFSA-N 442.513 -0.099 50 20 IBGD Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1794106021 DOAMBGXODGRNAV-CCWDJLKJSA-N 444.322 -0.638 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cncn1 1826786886 SEDZHTNSXPKVRY-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1C1CC1)CCO2 1830495032 HVAVLNVAHGKEOR-DXIQSLLYSA-N 428.294 -0.518 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830631853 IPSHMLFMSUSCQG-YLJYHZDGSA-N 428.530 -0.777 50 20 IBGD CCOCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736917 JZFNGBJHIXIYOX-UHFFFAOYSA-N 432.525 -0.093 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1837275069 DAJIFCPGEIWZIH-WFASDCNBSA-N 449.281 -0.534 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1840185471 QNQZUIBDTHMYPI-UTKZUKDTSA-N 440.541 -0.368 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1844263701 KGPFNJPVABTTEJ-UHFFFAOYSA-N 425.405 -0.696 50 20 IBGD CCc1ccccc1OCC(=O)NNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 728502464 LNKHIAJWCCNLIA-UHFFFAOYSA-N 433.446 -0.015 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1-n1cnnn1 763681163 LMSFKUQQVGOTIQ-UHFFFAOYSA-N 429.368 -0.025 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 764225632 BDYBVPXERVKGKL-ZDEQEGDKSA-N 426.499 -0.424 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1=O 764401113 KNPZNOYUQNODFC-UHFFFAOYSA-N 448.457 -0.005 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2C(=O)Nc3c(F)ccc(Cl)c32)n(C)c1=O 764812496 LXFBVQAOFDGQDS-UHFFFAOYSA-N 433.787 -0.301 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)n(C)c1 778911526 VMQKVNTZSLOHBA-UHFFFAOYSA-N 433.446 -0.235 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 801107223 QPQUILNELUUQBX-LBPRGKRZSA-N 436.494 -0.202 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 807723907 ULTCKOAUMFGCMK-XJKCOSOUSA-N 445.428 -0.308 50 20 IBGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[C@H](B(O)O)C1 864234409 RJYJIMFAVOHVIF-ZDUSSCGKSA-N 437.283 -0.156 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1779877198 SKJXBBHLDAVHGX-ABAIWWIYSA-N 430.234 -0.291 50 20 IBGD O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782234432 SRCMRFFGTCEDPN-FIXISWKDSA-N 429.823 -0.222 50 20 IBGD N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737723 MJQBHSHAWOBCQE-HATOLVCRSA-N 433.273 -0.316 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191774 VVNYQSWZBLLIHR-REPLKXPHSA-N 433.277 -0.096 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cccc(N2CCOCC2)n1 1796616764 RZWYEEVTPNZIDH-CXHZTBPHSA-N 438.912 -0.279 50 20 IBGD CC1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797748651 PUIZQZKITNQBNG-CWPLJXCYSA-N 444.536 -0.380 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccn2nccc12 1799972527 QBRXGADOEPNEIJ-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD COC(OC)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807362038 YSCNMZAPCNIBIU-WMZOPIPTSA-N 427.266 -0.300 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808945924 HHRUABPSDVBXTJ-BEFAXECRSA-N 449.475 -0.309 50 20 IBGD Cn1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cc1O 1815337820 WUYDDWXMWPNCTN-LBPRGKRZSA-N 441.278 -0.198 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344252 QDHFKKUFHRPHHZ-BXUZGUMPSA-N 442.306 -0.261 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817475773 STWSJEJOAVTLLC-CZUORRHYSA-N 425.254 -0.469 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCN1 1826216439 OZTRDWGUPHWKRA-TZMCWYRMSA-N 442.306 -0.425 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640063 ILRFCVRZLKTQPR-CXAGYDPISA-N 446.346 -0.544 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838854135 CJDSEONJTAKMDN-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839149516 JKDSNSDBSNWPAE-LIRRHRJNSA-N 442.900 -0.269 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840154018 IASRJPJYLFTQAT-FZKQIMNGSA-N 430.889 -0.248 50 20 IBGD CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183543 LHRHHEASESKJOO-HXUWFJFHSA-N 437.497 -0.320 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 741212254 HZOHOLHPNJJQAK-GJZGRUSLSA-N 438.506 -0.179 50 20 IBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)C(=O)NN=C1CCCC[C@@H]1S(C)(=O)=O 741451186 DNPLGDGEMKBPTC-KBPBESRZSA-N 434.540 -0.095 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742034190 WBWBTSMRVFWKTQ-LBPRGKRZSA-N 439.494 -0.061 50 20 IBGD CCCCn1ncc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 757748237 DDLJZLOFYNJOIG-UHFFFAOYSA-N 431.457 -0.408 50 20 IBGD Cn1cc(C(=O)NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cn1 764358709 HUQBFBASGYVVHH-KRWDZBQOSA-N 440.460 -0.012 50 20 IBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766660616 PLGWMLWYXGMUNY-UHFFFAOYSA-N 435.872 -0.298 50 20 IBGD NC(=O)c1cc(OC2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)ccn1 771957779 KSQRIUPDYAZBPX-UHFFFAOYSA-N 430.421 -0.213 50 20 IBGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784003807 PBQZROVNMXQBEH-UHFFFAOYSA-N 428.434 -0.452 50 20 IBGD Cc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030963 ZXNHVNKOQHBZTA-HXUWFJFHSA-N 425.449 -0.459 50 20 IBGD Cn1ccnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371183 OONHIGWZFOQBAN-IIBYNOLFSA-N 441.492 -0.140 50 20 IBGD O=C1Cc2cccc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)c2N1 1782409403 WNNREBLLYGCZDB-QHCPKHFHSA-N 449.272 -0.382 50 20 IBGD CN1CCCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784111582 VDQLSRYYZDOLCD-FFGOWVMKSA-N 429.326 -0.556 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979621 DVXBHKMRTRFNPY-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)nc1)C2 1801011821 ILCSZVCKKJJNHF-CWPLJXCYSA-N 432.525 -0.276 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2 1801013453 ZRVXJGARLZRRHU-MFKICJERSA-N 446.504 -0.080 50 20 IBGD N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371529 WFAZTJOBFZTDGH-MAUKXSAKSA-N 441.322 -0.292 50 20 IBGD N=C1NCCN1CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976554 DXDQRIMHSJESSV-UHFFFAOYSA-N 427.314 -0.949 50 20 IBGD Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1C 1831985252 VXCSVFXJGDWUAL-FQEVSTJZSA-N 437.497 -0.266 50 20 IBGD O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1834665354 RLHCZRBCKOAWJS-CQSZACIVSA-N 428.829 -0.183 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392496 AFVUEXNIJAHWCF-CRAIPNDOSA-N 448.358 -0.194 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835394044 MVZNQBYYLLZPSA-KRWDZBQOSA-N 434.331 -0.440 50 20 IBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839072939 KHOIXYKQSKZHNH-KUHUBIRLSA-N 449.932 -0.044 50 20 IBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559082 JEIMNSQGSOVRMH-IHRRRGAJSA-N 430.852 -0.014 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 732050357 SROWFWODPDSYPF-SFHVURJKSA-N 429.477 -0.202 50 20 IBGD CCCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c2ccccc2c1=O 733885200 UNAZJWLHWNXHFH-AWEZNQCLSA-N 428.493 -0.022 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2(CS(C)(=O)=O)CC2)cc1 753018875 FQZPXKAMVQJAFM-UHFFFAOYSA-N 446.551 -0.229 50 20 IBGD C[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)S(C)(=O)=O 754677284 ZCINJKORSSVEIB-GFCCVEGCSA-N 434.544 -0.923 50 20 IBGD O=C(NNC(=O)c1cc2n(n1)CCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 761390955 MJDBDLWHROJFPI-UHFFFAOYSA-N 435.462 -0.239 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1-n1nnnc1C 763882797 WPUADBLVJIKJTI-UHFFFAOYSA-N 427.425 -0.421 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2nc(Cl)ccc2Cl)n(C)c1=O 765730487 LFRKJDWXGUHVAB-UHFFFAOYSA-N 426.220 -0.403 50 20 IBGD CCCN(C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636715 SFELICWQNXQRFM-UHFFFAOYSA-N 425.555 -0.209 50 20 IBGD COCCCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 780699826 WAWJHWOOAAWOEC-HNNXBMFYSA-N 428.467 -0.119 50 20 IBGD CCC1(CC)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2O1 787889644 PVSFWTCFTZZCOH-JTQLQIEISA-N 428.467 -0.002 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCn2cnc(C#N)n2)c1 807508440 CEHPUUHDSLWCKQ-UHFFFAOYSA-N 434.482 -0.176 50 20 IBGD CCc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1S(=O)(=O)N1CCOCC1 914442329 BOKQFXNUXBUKND-UHFFFAOYSA-N 426.495 -0.445 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1F 916136506 QLYNCCFRZXRQSZ-UHFFFAOYSA-N 429.455 -0.159 50 20 IBGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 916640393 YYBPUYGIBHPNKO-GOSISDBHSA-N 447.558 -0.115 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778744227 WZKUHVGMGVBDTL-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780935784 SDVHZKCWZSYHLA-FZKQIMNGSA-N 442.925 -0.679 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1783877628 MDIOLPTXODVFBB-ACJLOTCBSA-N 428.873 -0.203 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2)[C@H](O)CCl 1792978137 FWEAAZDWTCDMFH-CXHZTBPHSA-N 438.912 -0.279 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnsn1 1794381279 LBFUSWKDAURELQ-BTQCZGSDSA-N 431.478 -0.125 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188911 ZXCLTEPLUOQBPQ-RDGPPVDQSA-N 446.265 -0.887 50 20 IBGD O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1803645824 ZPFCWLHUHYVYMG-NJAFHUGGSA-N 438.249 -0.811 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804096449 VIJXSEONNRUNND-KEYYUXOJSA-N 437.884 -0.107 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834649007 LMFWXAKKPOTWKM-NRFANRHFSA-N 431.493 -0.055 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837456094 INAJBEWLGHIGBQ-OAQYLSRUSA-N 427.461 -0.832 50 20 IBGD C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840292414 OGJPOQXCHAFZFQ-JOCHJYFZSA-N 428.294 -0.370 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416195 JPIYFDDGLTVTQC-OHHQFBAHSA-N 432.481 -0.525 50 20 IBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C1=CN2CCS(=O)(=O)N=C2C=C1 10159459 ASSUKFLQVOLZNV-UHFFFAOYSA-N 428.430 -0.164 50 20 IBGD O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)[C@H]1COc2ccccc2O1 10912402 VWJHYQMXAYDXPY-QGZVFWFLSA-N 438.396 -0.004 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OC 725742084 ZKHSWNYAGHRHEM-UHFFFAOYSA-N 426.476 -0.144 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H](O)c1cccnc1 732257211 GJMBHHCWZXLLER-IBGZPJMESA-N 448.501 -0.084 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCS(C)(=O)=O)nc2)CC1 732891471 JLCGUXYQIOJHIV-UHFFFAOYSA-N 434.544 -0.922 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)CC1 748848460 JRSPXZYACMEWHM-CQSZACIVSA-N 447.521 -0.158 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1 764231712 PAJAEGRMRHOSMI-GFCCVEGCSA-N 435.462 -0.316 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1Br 764431920 GEDPULJGNZYCEP-LLVKDONJSA-N 430.211 -0.263 50 20 IBGD Cn1nc(C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c2ccccc2c1=O 766759869 UJTLMACKLGLIDI-UHFFFAOYSA-N 432.437 -0.665 50 20 IBGD CNS(=O)(=O)NCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 774326167 ABYGEVAXLTVKPN-UHFFFAOYSA-N 447.520 -0.636 50 20 IBGD CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)CC1 782968158 YUSTZNILYKYFGH-UHFFFAOYSA-N 436.900 -0.154 50 20 IBGD COc1nccnc1NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806981410 SLYZLAZIJNESNA-QWHCGFSZSA-N 426.433 -0.036 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1784317844 UNLPRBQHRWCLCZ-QFIPXVFZSA-N 440.309 -0.286 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789200979 AJESFSMYCFATCC-AYDFFVQHSA-N 449.895 -0.063 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1790961234 XNLPDHMGALKMRW-KSXIZUIISA-N 448.358 -0.210 50 20 IBGD CCOC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1792226663 YKODYNNAKZXHTG-SZMVWBNQSA-N 446.309 -0.451 50 20 IBGD N[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1cccnc1 1795737351 BAGGAOPDCUJQRE-SHJAMOMRSA-N 438.293 -0.945 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1796441227 MNFNWIFGIFTCKT-GBQKICQVSA-N 441.444 -0.023 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1Cc2ccccc2O1 1797225914 QOFVGINPYIUMGJ-JWWGGVBKSA-N 436.273 -0.427 50 20 IBGD COCCOCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366210 XQZNTUFQRNMCSW-RXVVDRJESA-N 441.293 -0.256 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cccc(=O)n3O)C2)CC1 1807553867 SDDHUHUDQVBNKI-UHFFFAOYSA-N 439.277 -0.076 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808417573 MXYMFHKYEVFVSY-MIKCDZHASA-N 440.508 -0.493 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1813073254 OEAWMJWNQJJSIF-OXQOHEQNSA-N 428.497 -0.248 50 20 IBGD O=C(CCn1cncn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813317344 MVJPKIYUKWTYKH-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)c(=O)nc1O 1814035412 MGWLBRJDPVPMHY-ZMSDIMECSA-N 449.895 -0.042 50 20 IBGD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)n1 1815560914 VBNLZUYAGNQPMH-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667049 ORYQPBDSNLRFQB-ZDUSSCGKSA-N 448.484 -0.673 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(N)=O)CC2 1819799691 FRGITDGHATVMHM-VIFPVBQESA-N 431.478 -0.367 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731558 MCEBCXKUZBXYMY-SUNYJGFJSA-N 427.889 -0.667 50 20 IBGD O=C(c1cnc2snnc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731762 MMQGESDIMPLPLA-CXAGYDPISA-N 441.897 -0.244 50 20 IBGD CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830733668 QXYTZGXZYLFNQD-AUUYWEPGSA-N 449.932 -0.044 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831597907 MXZBWXCKIAQZLK-XNJGSVPQSA-N 434.331 -0.015 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832351920 TVPFPYZOKNIKSV-LAUBAEHRSA-N 440.541 -0.225 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ncc[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834799868 JZCAYYXXIWZPBQ-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277461 KTBRMIXJUPJFQI-SJKOYZFVSA-N 430.893 -0.970 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837771359 QLAVLOYSBZCMEQ-UHFFFAOYSA-N 446.570 -0.597 50 20 IBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841285869 UUQCMTGBSXZUIQ-ZDUSSCGKSA-N 436.372 -0.049 50 20 IBGD CN(CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12)C1=NS(=O)(=O)c2ccccc21 20907923 BCPUTPWTGWJHNM-UHFFFAOYSA-N 440.441 -0.235 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 743821663 UPYNEZHJGAXOIH-JHNDHUHGSA-N 428.445 -0.058 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cnn(CC(F)(F)F)c2)n(C)c1=O 756650476 XIMMHXILAVEXMQ-UHFFFAOYSA-N 443.346 -0.955 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 764231053 LXCIDLXRNPECSP-NSHDSACASA-N 429.474 -0.160 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1[C@H](C)C1CC1 777420671 WVUSCCVRYVZZQT-LLVKDONJSA-N 428.453 -0.629 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 780887457 PREKPEAMUFNELB-CQSZACIVSA-N 437.522 -0.043 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794074690 HPZSAGUIRIXVOZ-GFCCVEGCSA-N 438.466 -0.839 50 20 IBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1CCc2nncn2C1 816871925 WXOMSELNHOIRFN-GFCCVEGCSA-N 431.478 -0.493 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1OC 912947184 ZTNMYYSSZIOVQG-KBPBESRZSA-N 439.490 -0.110 50 20 IBGD Cn1ncc2cc(S(=O)(=O)N3CCN(S(=O)(=O)CBr)CC3)cnc21 1321448339 PNHYUZYTRBTYJM-UHFFFAOYSA-N 438.329 -0.043 50 20 IBGD C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789890553 SZFCYTDWRDVGNP-WDSOQIARSA-N 444.293 -0.531 50 20 IBGD C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1790794024 URSRJSRUMVJMDG-FHWLQOOXSA-N 427.505 -0.055 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1797753047 RMVKOVIZNGOICH-CULMDFNYSA-N 443.420 -0.562 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798180947 SVQIPOOEZSXNFD-IGRYJHFFSA-N 429.437 -0.548 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1803340527 JXWNSVWBLJCLNA-OXQOHEQNSA-N 446.508 -0.087 50 20 IBGD CN[C@@H](CC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1)C(=O)O 1809833620 NXIVIOHNRXBSQK-KRWDZBQOSA-N 431.298 -0.726 50 20 IBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810306330 WMDMSTNQUOCMQP-KXBFYZLASA-N 439.476 -0.464 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1)n1cnnn1 1813471722 ADUUGPJYRYKKMN-ALKREAHSSA-N 443.512 -0.292 50 20 IBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1F 1830726118 VIUQOTPCTYWDRF-KBXCAEBGSA-N 431.848 -0.101 50 20 IBGD Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnn2c1 1830731287 KISARSGNIKHKEK-BEFAXECRSA-N 437.884 -0.293 50 20 IBGD O=C(c1cc(O)ncn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831739456 ZSLKSXIQRSNRNL-IUODEOHRSA-N 433.234 -0.057 50 20 IBGD CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832310937 MYVXGQJHDWNGDV-OAQYLSRUSA-N 434.298 -0.749 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1833495873 DUTPEESNEKVFTM-KPZWWZAWSA-N 442.856 -0.501 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCBr)CCO3)n1 1834823111 JJKQTHPQADMACZ-INIZCTEOSA-N 445.318 -0.439 50 20 IBGD CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835257924 XWRLLWLLRVIMLF-AAEUAGOBSA-N 431.280 -0.822 50 20 IBGD Cc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1835936800 DXAQDTSMXXWEJQ-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1836234290 QBXBPTKPLSGEOD-ACJLOTCBSA-N 431.848 -0.101 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1840182393 IJHZGBDUGCKFCT-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CCN(c2ncccn2)CC1 728854453 WBAVBDWRXVQGFQ-UHFFFAOYSA-N 429.466 -0.322 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1C 730672244 DHFMQCYVKPTBOC-UHFFFAOYSA-N 443.551 -0.049 50 20 IBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1nnc(O)c2ccccc12 732053146 FRJKMWISZIUJCV-INIZCTEOSA-N 442.476 -0.190 50 20 IBGD O=C(NNC(=O)N1CCOCC1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 745996204 QUJJRFOHKHMIGA-CYBMUJFWSA-N 438.462 -0.303 50 20 IBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NNC(=O)NC1CC1 765119104 PVGZCKOEVUCMIR-UHFFFAOYSA-N 441.485 -0.068 50 20 IBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636665 RATLUILZWWVXED-OAHLLOKOSA-N 439.538 -0.637 50 20 IBGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C 788023377 MBNVSOHWGNHVRN-CQSZACIVSA-N 431.536 -0.219 50 20 IBGD COC(=O)C1(CS(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)CCC1 812505202 MPCTYZBWFJSTSQ-UHFFFAOYSA-N 433.346 -0.041 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919884662 JOAATNAZUALOBD-WCQYABFASA-N 432.524 -0.106 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1779296854 IILWBOXJFMBXOK-IBGZPJMESA-N 435.557 -0.020 50 20 IBGD C[C@@H](CN)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970100 RSVQUZMINVUONB-JTSKRJEESA-N 446.552 -0.243 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786573294 RBISDJZYTMNTNI-PGADULOUSA-N 444.492 -0.621 50 20 IBGD CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1)C(=O)O 1809835157 DMCWDWHKTAHNHP-MRXNPFEDSA-N 446.508 -0.407 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817360333 QAEOYAKBHCOQQF-OCCSQVGLSA-N 436.517 -0.632 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cncn1)CC2 1819797200 PKBYQRCNACMTRI-JTQLQIEISA-N 441.477 -0.341 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831463659 GVMPTAGGVOWSFT-XHDPSFHLSA-N 431.338 -0.073 50 20 IBGD CC1(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)COC1 1833140611 HLRXZHFXNWBQIH-UHFFFAOYSA-N 429.326 -0.412 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834772778 YDQDCIHYVJSOLR-UHFFFAOYSA-N 435.529 -0.327 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1835933770 CMLYHHWUNVRHGK-IBGZPJMESA-N 438.236 -0.518 50 20 IBGD CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935411 RRBVXKPVIBVPLI-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD CC[C@H](Cl)C(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1836397844 POZRNYQEDUPRIO-SFHVURJKSA-N 432.993 -0.138 50 20 IBGD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)C1 1837922063 HSLVXPXMKHGQCA-UHFFFAOYSA-N 428.294 -0.042 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cn1C 732262902 XBEHBNIQOAHSJH-CHWSQXEVSA-N 430.531 -0.956 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NNC(=O)c2cc(C)c(CC)s2)C1=O 736812841 XAACINGZBDXVLW-UHFFFAOYSA-N 436.446 -0.100 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cc[nH]n3)c2)CC1 755280842 CYAMFYNUFQCRAU-UHFFFAOYSA-N 434.478 -0.734 50 20 IBGD O=C(Cn1cc(Br)c(O)nc1=O)NNc1nccc(N2CCOCC2)n1 762861978 RHAVNASAKNLTOJ-UHFFFAOYSA-N 426.231 -0.519 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 763660128 YLBZANDFGXFHRT-UHFFFAOYSA-N 446.464 -0.611 50 20 IBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763865600 LUBALMHGZQRWSS-CQSZACIVSA-N 448.455 -0.092 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 763996118 BSGSFKQWZZKHNB-WDEREUQCSA-N 425.463 -0.071 50 20 IBGD COc1nc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc2ccccc12 766634331 GFWCZFLJUHIKRA-UHFFFAOYSA-N 437.416 -0.548 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN(C)CC(=O)NC(C)C)cc1 768444214 JMDZAZUGLRZIMX-UHFFFAOYSA-N 427.527 -0.781 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)n1 773190549 BNMUDRZQMAPUMV-HNNXBMFYSA-N 432.524 -0.255 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CCS(=O)(=O)C1 912783478 DVVQYFXRPISFJC-UHFFFAOYSA-N 429.520 -0.069 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779085945 YGTNCDDLZGVUAA-KMFMINBZSA-N 434.331 -0.502 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782223455 RFIXRCHJJTWFSS-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CC(=O)Nc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1783934564 HOQYWCOCHAGXDQ-OAQYLSRUSA-N 446.508 -0.144 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786260260 OUFLEPPOAFENQH-QCQGSNGOSA-N 439.900 -0.526 50 20 IBGD Cc1cnn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1787116435 YKPXDBIPOWRLDD-WBAXXEDZSA-N 441.492 -0.516 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cc(O)n1 1787456590 VQIFUYGXXNMNMK-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791292501 VTIOMWDUJQDRSP-FJIDUMEYSA-N 439.557 -0.356 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1791602570 OTXHSIRQRPVSSA-UHFFFAOYSA-N 449.552 -0.220 50 20 IBGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797750697 NLTMORQMJCOZCU-DRXBFXEBSA-N 430.490 -0.033 50 20 IBGD Cc1nccn1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754019 OZIUWVXBJQPRHY-ZSBFGKGUSA-N 427.465 -0.907 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797975806 BEYXLAZVHKTUAY-MFCZKXCZSA-N 432.525 -0.155 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)Nc1cccnc1)C2 1798440576 RAXMGDKGCHSGSX-QDMKHBRRSA-N 437.460 -0.029 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800226528 STYSMWGIIVINSG-PDOICOKGSA-N 425.574 -0.073 50 20 IBGD CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812662274 ADRHCJXSXXQJON-UWJYYQICSA-N 432.525 -0.013 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225206 OWBQBUVTBCSDQK-LRDDRELGSA-N 430.303 -0.084 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225209 OWBQBUVTBCSDQK-MLGOLLRUSA-N 430.303 -0.084 50 20 IBGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(=O)OC(C)(C)C 1835209099 XSPLKVUHMVHQAP-AUUYWEPGSA-N 449.932 -0.091 50 20 IBGD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1835938271 RLJUPQWGIPMRBJ-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1838540744 QPGXCCQFUKNWFE-UHFFFAOYSA-N 448.524 -0.245 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840049413 VSULYUONMDTIMW-IWQHBPENSA-N 444.293 -0.996 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnn3c1OCCC3)C2 1844265056 QONNKLBVLKNVPJ-UHFFFAOYSA-N 425.449 -0.205 50 20 IBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 728960225 XGHJYKPNKNMYBZ-MRXNPFEDSA-N 441.448 -0.105 50 20 IBGD CN(C)c1ccc(NC(=S)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 729689377 HOSLLVPQWIKOGB-UHFFFAOYSA-N 430.494 -0.483 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2ccc(C(N)=O)cc2)CC1 754235630 PMZLPISZMVMPAL-UHFFFAOYSA-N 432.506 -0.198 50 20 IBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CC1 756681994 LNZPPGPGNHBTKH-JTQLQIEISA-N 446.507 -0.277 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 767258877 FMEILIVVOXDALL-UHFFFAOYSA-N 432.458 -0.274 50 20 IBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776257124 AVOWDGBSCRNIAI-UHFFFAOYSA-N 427.483 -0.870 50 20 IBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784004438 GHRRPQLGVVWJIX-UHFFFAOYSA-N 442.461 -0.063 50 20 IBGD C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CS2 800347050 RSOQXXIANDKRNN-WQBCIRTESA-N 435.458 -0.029 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1F 815778430 QKSOYYLSAGRFDG-IINYFYTJSA-N 438.412 -0.228 50 20 IBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCc2nncn2C1)NS(=O)(=O)c1cccnc1Cl 816873563 JZAGSQBISLRSKD-MNOVXSKESA-N 441.901 -0.207 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 817054221 YZVFHTYVEFGNQG-UHFFFAOYSA-N 445.523 -0.053 50 20 IBGD COCCn1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1=O 917393694 TXGZQRHOVZVRBA-UHFFFAOYSA-N 436.490 -0.115 50 20 IBGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779028514 MMCZUINFRRFVGK-HXUWFJFHSA-N 441.448 -0.632 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnccn1)C2 1782210281 MOHDITMXHZKPBO-DYESRHJHSA-N 432.525 -0.094 50 20 IBGD O=C(CCc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787043886 UFBRHHCJYQYHHS-IHPCNDPISA-N 438.293 -0.618 50 20 IBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1787058187 MKSLOIMWJBHMCF-XIRDDKMYSA-N 444.322 -0.638 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1787506551 FZHDMIAJUMOYOW-VOCWPHPLSA-N 446.464 -0.792 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911493 AKRUIQYNOZNPEP-AJNGGQMLSA-N 436.347 -0.964 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075746 UXGLJILWZPUUKJ-DVBSWERSSA-N 429.433 -0.812 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]21 1791293928 PDAOLTLMVHHTFX-MPGHIAIKSA-N 443.508 -0.076 50 20 IBGD O=C(/C=C/c1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791696801 RBXZESCEJQQFEU-JIGQMWBCSA-N 436.277 -0.537 50 20 IBGD COC(=O)CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740939 QVDUQTOSJNYDNE-UPHUGPLXSA-N 446.309 -0.307 50 20 IBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n[nH]1 1797751582 JNKCGQJMNUMAQQ-IVWMJMPLSA-N 427.465 -0.837 50 20 IBGD Cn1nc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)cc1O 1809975042 QNAIWYSHQBSXNY-UHFFFAOYSA-N 426.282 -0.036 50 20 IBGD Cn1nncc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810300420 YHSPPYSRLGIDDF-RDTXWAMCSA-N 449.475 -0.158 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833481937 RPTDIKCXIQQXPR-CZUORRHYSA-N 437.990 -0.162 50 20 IBGD Cn1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834797386 HTZMBZZNLCGWJW-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1cccnc1 1835823968 FYBXRWWHKUKDBE-GPMSIDNRSA-N 426.901 -0.472 50 20 IBGD CC(C)N(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460672 ITYROKCRLLRKOP-OAQYLSRUSA-N 448.524 -0.905 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838753751 APNYJUMPVXDTNS-HNNXBMFYSA-N 439.557 -0.117 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1840184729 CJLQXQCJVIIDMD-VHSSKADRSA-N 434.896 -0.260 50 20 IBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)C1CCN(c2ncccn2)CC1 728889864 GQIKTDKGQLDSMT-UHFFFAOYSA-N 433.494 -0.396 50 20 IBGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 745860349 QAIJXYKHKGTELT-HNNXBMFYSA-N 440.570 -0.236 50 20 IBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2c1CCCC2 764233383 WMHORJIEFGFJDC-MRVPVSSYSA-N 446.507 -0.563 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 764423868 DDWASEJVOOHNIB-GOSISDBHSA-N 445.476 -0.525 50 20 IBGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)c1C 764432595 IJOZPHUGVFMOFL-MRXNPFEDSA-N 445.432 -0.141 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(F)c1I 764434907 SLDHXUWJSGCFMS-SECBINFHSA-N 437.165 -0.068 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=S)NCCCN1CCOCC1 764513185 HBCNZYYOJBIEDX-UHFFFAOYSA-N 448.593 -0.338 50 20 IBGD CCOC1CC(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)(N2CCOCC2)C1 767760972 VKSUVLIEYHFURR-UHFFFAOYSA-N 444.496 -0.124 50 20 IBGD Cc1cc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)ncn1 783945557 MVJKWHNWJNTUJK-INIZCTEOSA-N 426.433 -0.119 50 20 IBGD CCc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 788170050 YCEQOPPZPVEUDO-UHFFFAOYSA-N 439.538 -0.128 50 20 IBGD O=C(Cn1cc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)cn1)NC1CC1 789811161 WHGHKVXCQIDBDJ-WMZOPIPTSA-N 440.460 -0.180 50 20 IBGD O=C(NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1ccc2c(c1)OCO2 802097034 LTUPKYFBVBDUGE-NSHDSACASA-N 437.434 -0.267 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829891 FGQKZKJXOLMVPA-AVGNSLFASA-N 427.454 -0.224 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1OC 917130862 MBSXXWADSCSXSP-UHFFFAOYSA-N 447.492 -0.769 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779037157 RASFNEPXPFPUQI-OAQYLSRUSA-N 439.476 -0.415 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21)[C@H](F)Cl 1787446068 UTWDIPHBCMACPX-COPCRZHJSA-N 434.877 -0.034 50 20 IBGD O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1790583482 FDXMZXBLLMHKQR-ASHKBJFXSA-N 431.262 -0.087 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790606256 DBELBHPDWDAPOG-IKICRFKJSA-N 448.281 -0.479 50 20 IBGD CCn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1C 1795734229 KKKOHEHELHXSFA-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD COC(=O)CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801072438 LMKGSMHKDADCIS-UPHUGPLXSA-N 446.309 -0.307 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372492 FROUFRCSIRCODW-GHTZIAJQSA-N 438.293 -0.393 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)[C@H](O)CCl 1814870532 VWDLZKDWRKAKOT-GHMZBOCLSA-N 435.832 -0.559 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832491107 GISKXWLXQKLIEF-LIVBEALHSA-N 440.880 -0.118 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835704051 JRGHJBWZJOZCNA-CZUORRHYSA-N 431.965 -0.135 50 20 IBGD C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460548 HDGBXHBNICMKIG-QVKFZJNVSA-N 431.493 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1840182321 GXOVHONZOAKHIS-LAUBAEHRSA-N 440.541 -0.225 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188073 MIGGDWLMJNHCPR-KRWDZBQOSA-N 431.081 -0.760 50 20 IBGD O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)NCc1ccco1 1843011447 FGLAATIIUQDJRU-CMDGGOBGSA-N 437.261 -0.351 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1)NC(=O)NCc1ccccc1 1845999258 TZAWXPJMDJOASA-KRWDZBQOSA-N 442.520 -0.328 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NCC2CCC2)c1 731686281 WHDXYKGCRFXUSY-UHFFFAOYSA-N 432.524 -0.246 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2)CC1 735445531 ZHEKGJIBBUJHJG-UHFFFAOYSA-N 434.478 -0.652 50 20 IBGD Cn1c(CC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc21 742474759 VGYNTFWFSUMOAQ-QZCPTFHJSA-N 425.445 -0.184 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCn4ccnc4C3)nc2)CC1 779666660 VGHJZODRNMQYRM-CQSZACIVSA-N 434.526 -0.145 50 20 IBGD COc1cc2ncn(CCCC(=O)NNC(=O)CN3CCCC3=O)c(=O)c2cc1OC 789890297 XRYVPIRYXRRBMN-UHFFFAOYSA-N 431.449 -0.036 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 893187419 FYERXIRWLFSEBR-RYUDHWBXSA-N 435.549 -0.208 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c(=O)n(C)c1=O 917545602 XKKYXUGWWXPULP-UHFFFAOYSA-N 443.445 -0.160 50 20 IBGD CCc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030437 ANAMQGBZNKSTLD-FQEVSTJZSA-N 428.449 -0.007 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262396 OMHATFMVCYUXPK-WMLDXEAASA-N 436.347 -0.724 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783528936 DOFXINITLNEAES-LALPHHSUSA-N 440.360 -0.073 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785378743 NMISKTIBPRLIEN-HSZRJFAPSA-N 449.272 -0.239 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nc2ccccn2n1 1787261245 QGUMRQRLZNIJRT-SZMVWBNQSA-N 449.276 -0.684 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cnc2c1 1792981193 FXWNHDZLAGZHJQ-IARIHHJXSA-N 434.880 -0.194 50 20 IBGD C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439530 IUPPLQVQTPKIPP-GLPAEGGISA-N 429.477 -0.252 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808417571 MXYMFHKYEVFVSY-DZZJZNDMSA-N 440.508 -0.493 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809684228 PKXIGLYGFGGWRC-INIZCTEOSA-N 445.524 -0.877 50 20 IBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819894652 ZKLDDCJTSXAFMJ-MMPTUQATSA-N 432.930 -0.041 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735251 FJVXWDVSWKRPNO-FZKQIMNGSA-N 435.905 -0.433 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831449830 SZKYKUYLCNYZFW-GUYCJALGSA-N 438.930 -0.397 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632251 GWQJBJNLOLKZET-DYVFJYSZSA-N 446.346 -0.686 50 20 IBGD Cc1[nH]ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928357 MKQDARPNQKPZRA-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935801 SBLDCTDFIJVNDR-DEOSSOPVSA-N 448.284 -0.512 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2)NC(=O)NCc1ccccc1 1845038323 PRADRRIUMRDZPC-INIZCTEOSA-N 444.492 -0.356 50 20 IBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 763951173 ZJTXGHWDRSYGFQ-UHFFFAOYSA-N 440.420 -0.158 50 20 IBGD C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765733795 YNABQPHWNIHDAJ-LBPRGKRZSA-N 430.440 -0.011 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(N=c3cc[nH]cc3)cc2)n(C)c1=O 766641573 ACMOLHCUSLZAGL-UHFFFAOYSA-N 448.443 -0.545 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSCC(=O)c2ccccc2)n(C)c1=O 766643853 KZKGTFYPEWNQDR-UHFFFAOYSA-N 444.473 -0.803 50 20 IBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 770106165 AORCPXWTVCYFGP-UKRRQHHQSA-N 443.478 -0.519 50 20 IBGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)c2)CC1 784002283 NCVMGHHLGVISAE-UHFFFAOYSA-N 442.476 -0.063 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 787857104 CEUULAIBPOXQFE-QWHCGFSZSA-N 435.485 -0.520 50 20 IBGD CC1=CC(NC(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)=S=N1 806974230 AQYDMHCVJNGWHD-UHFFFAOYSA-N 437.503 -0.338 50 20 IBGD CCNC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 920858162 BSAXMLGUXNSCQN-GFCCVEGCSA-N 440.931 -0.228 50 20 IBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030519 BKSZFXUYESOAJY-LJQANCHMSA-N 445.505 -0.210 50 20 IBGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779037799 IPAMAOIOFISCPQ-SMDDNHRTSA-N 425.324 -0.009 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779437617 WADAAQCXXAAIEM-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779552226 WPZRLEFOPFQSPH-FQEVSTJZSA-N 429.433 -0.472 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1783343286 MNPRYJCOANFRJQ-MMPTUQATSA-N 431.287 -0.412 50 20 IBGD Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)c1 1785858045 DSTIFABHDOTMAY-WBAXXEDZSA-N 426.477 -0.069 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccccc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984557 OFWHPQUHOSISGS-IHPCNDPISA-N 436.273 -0.157 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788644921 KECLWQSUBAKQER-QHLBIMPKSA-N 448.358 -0.352 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1791290923 DIHWCECMZRWOAM-ZVZYQTTQSA-N 432.525 -0.204 50 20 IBGD CC(C)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1793798103 ZLCSUOUIMPDGJT-CEQLMSFQSA-N 443.353 -0.310 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795737710 LGXBBEHYQAWVDA-ZQOJQMTGSA-N 444.293 -0.841 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]ccc3n1)C2)c1cccc(B(O)O)c1 1795739292 ZXJCQWFLDSWGFF-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2)[C@@H](F)Br 1799344404 LJIWEBPFEBQWHI-ANGCBRKESA-N 432.246 -0.418 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1800973555 FJPFZBZPTWGDKQ-XRGAULLZSA-N 445.925 -0.058 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2 1801011411 KNDLTFYRZFMEAM-FVCICTRLSA-N 434.522 -0.028 50 20 IBGD CN(C)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299840 UPSCDQQKVHHGOS-BEFAXECRSA-N 425.493 -0.039 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811450642 FBWMVIPITOIFJY-JXFKEZNVSA-N 447.260 -0.522 50 20 IBGD O=C(CCn1ccnn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813431520 QMJISIYNZNUQQX-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817323489 NUYITKOJAMGGBP-AWEZNQCLSA-N 444.322 -0.179 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccnn1)CC2 1819797272 SCHRBOYMYBEUBK-SNVBAGLBSA-N 441.477 -0.341 50 20 IBGD Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)c(=O)nc1O 1827988696 XMVBTPLVUPQVDB-GXSJLCMTSA-N 441.897 -0.074 50 20 IBGD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1829949133 SJSQNRZWXVWDDP-SUMWQHHRSA-N 432.315 -0.246 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875703 BRCQUYZLFJEWCU-KUHUBIRLSA-N 427.885 -0.291 50 20 IBGD Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834338842 YDOTWWHMTIVVRU-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1834819832 YMCOSEWFTPJJJV-MRXNPFEDSA-N 434.287 -0.320 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835424238 NOFIXUKNNKHJII-OAQYLSRUSA-N 440.541 -0.368 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927886 ZRVHVHSIISKDEU-IERDGZPVSA-N 432.282 -0.973 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1cncn1 1840420627 PYMSKUIRUCLEQF-JMSVASOKSA-N 434.266 -0.014 50 20 IBGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 735039678 CJFWTKXHAKULQE-NEPJUHHUSA-N 433.508 -0.378 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 754748321 AMAWLOMMIUZBMR-LURJTMIESA-N 433.386 -0.349 50 20 IBGD CN(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=O 760484155 JJBMFVVJNJQOGD-SECBINFHSA-N 425.389 -0.341 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 767824042 VTTWSDIYSARGHO-RBSFLKMASA-N 437.522 -0.128 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CN1CCCC1=O 789857488 VCWFZDDDWRSIHI-AWEZNQCLSA-N 428.536 -0.144 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 795079469 AZRUUNBDBZEDQU-ZKYQVNSYSA-N 428.515 -0.807 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cncc(-n2ccnn2)c1 801926970 DOAJYDQJCCDEOP-UHFFFAOYSA-N 434.460 -0.119 50 20 IBGD CN1CCCC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780589535 QYIFFESYLNDWFC-MIZPHKNDSA-N 443.353 -0.022 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781395974 GDCONVHYCQHLTH-VBKZILBWSA-N 432.481 -0.071 50 20 IBGD O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1785153080 FLSMKKKJYHYTHX-YFKTTZPYSA-N 431.287 -0.651 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789925675 GZWZALOSKQJBSU-OBBGECFZSA-N 440.266 -0.279 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1790962274 YMUALDIRWNDJBD-FQUUOJAGSA-N 430.347 -0.020 50 20 IBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347504 QPBZHTQXJWINOG-QCMRWSPLSA-N 425.324 -0.250 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802918831 KGGGXLONQLOTBW-KWFKABMGSA-N 428.449 -0.468 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806817327 ZFJHBTPELQIMRK-JXXFODFXSA-N 430.509 -0.261 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362694 HJZNPIRPCUXORF-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1813070548 IPWWNIKOEZPZOT-HNAYVOBHSA-N 439.538 -0.495 50 20 IBGD CCS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815168900 MSWDWLKNMGGCDW-MRXNPFEDSA-N 448.310 -0.170 50 20 IBGD COC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800905 CPYPXKYFUULLCV-VIFPVBQESA-N 447.477 -0.277 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1830538023 TXMJVMWJTFBLMS-IIYDPXPESA-N 432.315 -0.248 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1831416355 QVEWGWZHUMYXSG-MJGOQNOKSA-N 427.310 -0.264 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834656680 LEYSEMVIMVJUPU-UHFFFAOYSA-N 441.602 -0.442 50 20 IBGD O=C(/C=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935278 MIEKRLOXTMSHPM-XYXUZSOXSA-N 440.261 -0.257 50 20 IBGD O=C(/C=C/c1ccoc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935441 SUSWKHBUYIKKDP-ZDUIWUOISA-N 440.261 -0.257 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1839141815 UMJQBOOEFGRWFY-ZQIUZPCESA-N 439.962 -0.212 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033085 SMTKSUMBLLDOCH-MQIPJXDCSA-N 435.319 -0.327 50 20 IBGD COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840182642 OTQUZEMABOMLKS-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186078 ZCBOESIBXAJGOB-RDTXWAMCSA-N 434.921 -0.930 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NNC(=O)Cc2ccccn2)c1 730026323 XUUOMAZDLGTBJS-GFCCVEGCSA-N 434.478 -0.110 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCN(C(C)C)C2=O)cc1 734216472 SZWPWVOIJPZKDP-OAHLLOKOSA-N 425.511 -0.045 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc3c(s2)CCCC3)n(C)c1=O 765313900 WPAADAMSQBCEMU-UHFFFAOYSA-N 432.466 -0.378 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1C 766250853 VUVXTNWICAQRJH-KBPBESRZSA-N 444.579 -0.845 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 774660299 ZONVBXNJXBWTHB-CHWSQXEVSA-N 440.526 -0.132 50 20 IBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 778997805 JHTVJIUVBWCIQT-UHFFFAOYSA-N 439.472 -0.273 50 20 IBGD CNC(=O)CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 801602119 XRBUNIHQGANCDB-UHFFFAOYSA-N 426.495 -0.225 50 20 IBGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 806970586 MEDHWEMFYINXLY-UHFFFAOYSA-N 444.477 -0.144 50 20 IBGD O=C(CNS(=O)(=O)c1cccc(F)c1)NNC(=O)C1CCN(c2ncccn2)CC1 810347763 AXHKVIAVUNMGGO-UHFFFAOYSA-N 436.469 -0.042 50 20 IBGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913156155 XGXZRGUQKXEIED-UHFFFAOYSA-N 425.405 -0.130 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784374452 UTZYZMBBFIECKT-MDZRGWNJSA-N 441.916 -0.459 50 20 IBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1784759730 QDPHSXHPVQDRPC-WDSOQIARSA-N 439.277 -0.323 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785352800 DPNSTRSASQTOQO-FZKQIMNGSA-N 428.873 -0.659 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507873 VYOLFLYNLNLTDE-NBSPSWBDSA-N 446.508 -0.374 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788573018 NFFFAWUASXUJOG-XDKFSHSGSA-N 445.520 -0.149 50 20 IBGD Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793544857 UKGFPQKJUGICMU-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3ccoc3C1)C2)c1ccc(B(O)O)cc1 1795732936 RILXVNHOXWIYRC-UGNRZPKXSA-N 438.289 -0.032 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1796440142 FUFJBUIOMPDIMB-FKBANKNKSA-N 443.464 -0.356 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1CCN(C)CC1 1799965460 JSZZUNFDLCTPJH-QLIIJSOBSA-N 428.342 -0.746 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1CCN(C)CC1 1799965942 OKJUKOLQUOKWMA-QLIIJSOBSA-N 428.342 -0.746 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807358989 BNFXPTDNTBWPSO-JQHSSLGASA-N 431.685 -0.319 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812393214 DDNWVIJFVMQJPM-DZKIICNBSA-N 440.884 -0.116 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C=CCN3)CC2)CC1 1835050920 CBUNGNARHYGVDC-IBGZPJMESA-N 441.536 -0.602 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1837456533 JWJXVAADRHBPAE-IBGZPJMESA-N 446.489 -0.475 50 20 IBGD CNCCCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837865342 WEZYHGNZIUEAQF-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842946259 XBQAQGLIRTZNJU-OAHLLOKOSA-N 447.448 -0.070 50 20 IBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 26071063 GTOXANZXIGBSHD-UHFFFAOYSA-N 425.430 -0.351 50 20 IBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 762087287 NNRXABULGXVSLK-JTQLQIEISA-N 429.393 -0.707 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 763821585 UQWHDUKKYMNMRF-UHFFFAOYSA-N 430.465 -0.311 50 20 IBGD CC(C)[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCCS1(=O)=O 772629697 FHYQHAGDSBTCHG-HNNXBMFYSA-N 446.551 -0.242 50 20 IBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778444019 ZRALXCTWEJPJPY-NSHDSACASA-N 425.467 -0.103 50 20 IBGD CS(=O)(=O)N[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793216769 IUGDMSSZSQEYTK-CQSZACIVSA-N 427.483 -0.333 50 20 IBGD COCCn1cc(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 800734064 HTWXPFATXUJZKM-UHFFFAOYSA-N 438.510 -0.011 50 20 IBGD CN(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 915880721 XJKCVFLJVXMRRZ-LLVKDONJSA-N 438.915 -0.522 50 20 IBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2=O)cn1 1318579649 ZJENBZDFUWCZSK-LBPRGKRZSA-N 434.482 -0.537 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1782210526 YCZPCDGKFAMCFV-FOIQADDNSA-N 440.545 -0.856 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1783934193 BXBPYJVQQDGUBO-WMZHIEFXSA-N 443.548 -0.096 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1ccnc1 1786982710 FEHCNIVRIVZVEU-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786986608 PUNPMINLCCBUID-IHPCNDPISA-N 440.309 -0.363 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796851517 HKFSDUBSTMDBSP-JGPRNRPPSA-N 428.409 -0.118 50 20 IBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812620661 KQAFFDFMWUHGGY-BEFAXECRSA-N 439.476 -0.464 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1813073180 HXNXEUKKOXEEJG-RZQQEMMASA-N 430.509 -0.404 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cnnn1 1813467973 BZBAZXHBXZKHGX-LJHODMEESA-N 449.280 -0.671 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816031536 AYKMRNDJZNBFJD-QMMMGPOBSA-N 427.450 -0.201 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(C)(C)C 1831081974 AGAQIUPQHSXGOU-KHYOSLBOSA-N 433.933 -0.407 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831425946 XUHATOGJOJFALT-IIBYNOLFSA-N 432.282 -0.973 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933949 HZQDOHGOJWQVRH-FXAWDEMLSA-N 436.339 -0.609 50 20 IBGD O=C(Cc1cscn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935707 NFSJQBONIADBDW-FQEVSTJZSA-N 445.306 -0.864 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837461517 XAJPHZOSPFNYJK-MRXNPFEDSA-N 447.826 -0.413 50 20 IBGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1 1838829663 JOPHLSDDYZMZIM-RDTXWAMCSA-N 428.873 -0.455 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840186006 YJTBTGVMKKDSGJ-FQEVSTJZSA-N 432.481 -0.671 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1840186763 DWRKZUGGQKIZEH-OAQYLSRUSA-N 439.557 -0.698 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1840319172 UXNATQXRPHGVPI-BLLLJJGKSA-N 436.303 -0.170 50 20 IBGD COC(=O)CCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 18138374 FWUWLCFDXYVFFP-UHFFFAOYSA-N 444.535 -0.230 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 726642809 IPADJRIQOFHTBI-UHFFFAOYSA-N 437.478 -0.290 50 20 IBGD CCc1ccc(-c2cc(C(=O)NNC(=O)CN3CCN(S(C)(=O)=O)CC3)n[nH]2)cc1 763162765 GXWRLPGASZTBQE-UHFFFAOYSA-N 434.522 -0.023 50 20 IBGD COc1cc(Cl)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 776087954 ZHBWQROKRXFZSM-UHFFFAOYSA-N 435.828 -0.051 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1N1CCOCC1 784004477 OKZFRJRKFZLVDT-UHFFFAOYSA-N 429.433 -0.059 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)cc1Cl 795305016 ZPQAXYFTVZZTOR-ZETCQYMHSA-N 443.862 -0.055 50 20 IBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 807455976 QPXUINKCIBZYJX-UHFFFAOYSA-N 432.441 -0.141 50 20 IBGD CN(C)C(=O)CCN1CCC(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 1321667924 VMAQIXQYRMKHON-UHFFFAOYSA-N 439.538 -0.023 50 20 IBGD Cn1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1Cl 1779032459 KOWAPEKVUNVORI-LJQANCHMSA-N 447.883 -0.171 50 20 IBGD Cc1n[nH]cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780145696 UZPUAUAVMIVGIN-WIYYLYMNSA-N 426.282 -0.161 50 20 IBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1784759843 XCDZDCNOWOVURP-WDSOQIARSA-N 439.277 -0.323 50 20 IBGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c(=O)nc1O 1785354004 KJSBNXGNCMQENB-LRDDRELGSA-N 447.261 -0.222 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984174 ODOBHYSJMZKVIU-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccccc2O1 1793846975 XFNQJFYBIQXUKJ-POXQLVPFSA-N 446.504 -0.211 50 20 IBGD CCc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795740233 IGOPLYLKVXLURS-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)cn2[nH]cnc(=O)c12 1799154274 QWEXCOFWVCSLJL-QDMKHBRRSA-N 443.508 -0.044 50 20 IBGD CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800478026 XPKWTYXBPSTICT-XEMDLRDOSA-N 445.520 -0.099 50 20 IBGD C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(=O)O 1802014180 VRZIIVVXBKVQJA-NSCGYWBUSA-N 431.449 -0.259 50 20 IBGD COCCOCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807366209 XQZNTUFQRNMCSW-NQIIRXRSSA-N 441.293 -0.256 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808217964 OAMKVVKZCBQGHS-MNEFBYGVSA-N 435.488 -0.072 50 20 IBGD CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302845 MTOHXVMIINTBAR-PBHICJAKSA-N 439.476 -0.512 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1813070191 DTIFXZUVRITQAY-TWOQFEAHSA-N 447.540 -0.947 50 20 IBGD COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348148 FJPUJOLKHQSOPL-GFCCVEGCSA-N 432.267 -0.595 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800245 ACQFDHFZHPLPDP-FQEVSTJZSA-N 445.369 -0.041 50 20 IBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202943 USRRIZZGXZUFMZ-BXUZGUMPSA-N 426.239 -0.511 50 20 IBGD C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(F)(F)F 1839892596 WADCECGWDISKFI-GOSISDBHSA-N 442.199 -0.445 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839967477 NOHZARVRXJEOJM-MLGOLLRUSA-N 436.303 -0.028 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840031703 ADMWDMHNBICGBP-MLGOLLRUSA-N 432.319 -0.934 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840156362 REYNTFWPBNDUGD-MORSLUCNSA-N 436.889 -0.688 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182272 CGCPBDOEXAKMSC-QSFXBCCZSA-N 428.530 -0.777 50 20 IBGD N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1840812730 HMHFSDOEAQPRCQ-OAQYLSRUSA-N 427.266 -0.870 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)nc1 1843010566 FFSRIYXBRGHMOE-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD CCNC(=O)COc1ccc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC 732578680 UYBZIDCDKYLXOP-JYRVWZFOSA-N 441.444 -0.020 50 20 IBGD Cc1occc1C(=O)NCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118935 ZVSYWPYEKNSHIT-UHFFFAOYSA-N 436.494 -0.208 50 20 IBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 742032587 OXGWPHDVIRZNAO-UHFFFAOYSA-N 446.551 -0.050 50 20 IBGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746164590 YAWPAGFEEJQQNG-DQQVXTMASA-N 431.492 -0.527 50 20 IBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1cc(S(N)(=O)=O)cn1 748545933 ACNPRFXWIJMPLS-SECBINFHSA-N 446.283 -0.092 50 20 IBGD O=C(NCCCn1ccnn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753338684 MHPSMFQZFUQGRL-UHFFFAOYSA-N 437.482 -0.667 50 20 IBGD CC(=O)Nc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C 755913539 QJDQMWSPTSQZFL-UHFFFAOYSA-N 442.436 -0.447 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cccc3c2CCCC3)n(C)c1=O 765127618 WVBOYNATQNTXSR-UHFFFAOYSA-N 446.489 -0.678 50 20 IBGD CCNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 770753065 ASTASAYYFYOFCV-NSHDSACASA-N 432.528 -0.652 50 20 IBGD CCC(CC)n1nc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 776489763 NLLXYNQWNCEELX-UHFFFAOYSA-N 430.469 -0.239 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 797004769 MSESHBVEDAAEJF-VIFPVBQESA-N 426.430 -0.750 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN(S(C)(=O)=O)CC2)nc1 916238009 STBLEIRLEGQPFW-UHFFFAOYSA-N 434.544 -0.182 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1778792076 QJFMAUZSIHBRMU-GHTZIAJQSA-N 432.282 -0.602 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033985 HILPNJWIROBEHD-KBXCAEBGSA-N 425.873 -0.618 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779076785 QAWGGTFBBJMAKG-HDMKZQKVSA-N 434.873 -0.435 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779294349 PFNYMJDCURXVPL-PBHICJAKSA-N 435.619 -0.004 50 20 IBGD CCOc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1 1780431297 XWUITAWTNXIDCE-HXUWFJFHSA-N 434.497 -0.308 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331660 OLHMOODIHJQBJB-MLGOLLRUSA-N 444.261 -0.181 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1783974660 UOONKHFZYZOVBU-XUXIUFHCSA-N 442.310 -0.078 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cn2ccsc2n1 1797481921 IPSBIYSDYCSXRV-XOIINTDNSA-N 440.290 -0.407 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2nccn12 1799993920 QLYNXDICZVVEBE-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363462 FBRBXIDMWPRWIU-CFLQYTFWSA-N 438.293 -0.408 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367166 QZMCDBYYHFIVJE-FXAWDEMLSA-N 427.266 -0.910 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nn1)CC2)c1ccc(B(O)O)cc1 1815336770 DXZCINYGGRJTDV-GFCCVEGCSA-N 439.262 -0.142 50 20 IBGD C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927526 RJRKAWNPWDIGSN-HXUWFJFHSA-N 434.323 -0.644 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837355902 KKPFYKYQKMXYFQ-BDJLRTHQSA-N 431.287 -0.650 50 20 IBGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1 1838829662 JOPHLSDDYZMZIM-KSSFIOAISA-N 428.873 -0.455 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)n1cnnn1 1839154979 FIZRBDCSFIUJCC-KCXAZCMYSA-N 435.312 -0.073 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cncn1 1839203510 NIOMPICDIUBWIY-XUJVJEKNSA-N 434.266 -0.014 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841299935 MTMXGLFSPCJAMK-AWEZNQCLSA-N 441.529 -0.552 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cn1C 725879899 QRTWJGVENAFWRS-UHFFFAOYSA-N 433.494 -0.326 50 20 IBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730576976 YAVICQJPBVATOZ-OAHLLOKOSA-N 429.520 -0.018 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCN(C2CC2)C1 734285151 GTVAQPAPBMAARY-OAHLLOKOSA-N 437.522 -0.112 50 20 IBGD Cn1c(CC(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)nc2ccccc21 734686820 WEGWLFBVMFRZMM-MRXNPFEDSA-N 429.525 -0.147 50 20 IBGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755611367 KKXFUUCOEQFDEQ-JTQLQIEISA-N 446.507 -0.277 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1=O 763446004 NTSIBTMKMJPBOI-UHFFFAOYSA-N 425.361 -0.121 50 20 IBGD O=C(CC(F)(F)F)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764115405 PVHIRIJXOSZTES-ZDUSSCGKSA-N 444.366 -0.261 50 20 IBGD CCCCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227353 NPAQKWCYOULBBO-LLVKDONJSA-N 430.483 -0.102 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1nc(O)c3cnn(C(C)(C)C)c3n1)c(=O)n2C 770958999 VFFASDLOPMFQNS-UHFFFAOYSA-N 442.440 -0.823 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 771902878 NQJIFESNWFNFOO-NSHDSACASA-N 430.483 -0.556 50 20 IBGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 799240584 KDZBPNHPGXQSNO-RISCZKNCSA-N 427.483 -0.305 50 20 IBGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 800622972 XJIJWLUKUCANPM-UHFFFAOYSA-N 445.407 -0.534 50 20 IBGD Cn1nc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 916294656 FHROGSHCLYAUQF-UHFFFAOYSA-N 444.473 -0.144 50 20 IBGD O=C(NNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N[C@H]1CCS(=O)(=O)C1 919886546 SIRGHLWNXJUSDK-ZDUSSCGKSA-N 425.442 -0.178 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779056156 WHUCBGWUEQUVEQ-BTYIYWSLSA-N 439.281 -0.900 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784351386 YMOKXPPZTHFSJI-ZHRRBRCNSA-N 438.293 -0.662 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1785153509 UXQHTKZATAVQQP-VGBILLHSSA-N 435.250 -0.745 50 20 IBGD Cc1noc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785977122 RAAROBXWPDXVCV-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982637 AJFUJHCVSVGOIT-SZMVWBNQSA-N 446.309 -0.309 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986678 XOYVMCSRQCZBAD-LQJIQPLVSA-N 430.310 -0.224 50 20 IBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1789868406 FHDMUTQIKPBFMO-UWCDFFNFSA-N 435.308 -0.246 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(F)c1 1793553578 OECJVHFYLYVSSW-FVCICTRLSA-N 428.424 -0.264 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1793879185 KZIGHVCCLWMMRE-FQLMCAECSA-N 449.932 -0.283 50 20 IBGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1793986581 SQKQSSXYFRVZEG-VPTLXERWSA-N 439.277 -0.784 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccnc1 1794228240 XDWZQTJDGINYSO-BJWYYQGGSA-N 430.509 -0.177 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)CC1 1796364411 FGDISCAFPQPIFU-CRWXNKLISA-N 425.910 -0.218 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440708 KNTDZVZXYIBDNI-HLPPOEQASA-N 437.946 -0.745 50 20 IBGD CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1796631549 AZPGPEJTCBXZTC-SCAQPMJSSA-N 427.270 -0.944 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2 1797754104 VQOPTWXOCJTRKK-VDHDSHHXSA-N 429.502 -0.237 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810225480 MBJXQGOIRLXQKS-AUUYWEPGSA-N 429.481 -0.664 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049114 LXVJJJHTQMLGRO-LJQANCHMSA-N 444.341 -0.129 50 20 IBGD CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CCC1=O 1833308095 IEFCEVVEAUSHET-MRXNPFEDSA-N 427.933 -0.234 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1839966994 WBXIVVPJDRTEMK-GDZNZVCISA-N 432.315 -0.248 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 743296116 VFYKGNJZIUXZCN-GFCCVEGCSA-N 438.510 -0.028 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 763624178 KROAGNVLKFRJIG-UHFFFAOYSA-N 430.465 -0.311 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 792084061 LZKOUPXEQREVGI-CYBMUJFWSA-N 433.531 -0.553 50 20 IBGD Cc1cccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 792832602 VBCHXOUOPXCFNY-UHFFFAOYSA-N 447.521 -0.119 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 807369182 RWZQEMLQINURKH-UHFFFAOYSA-N 444.510 -0.397 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)c1 920363142 TVBZOOABFRLXLH-UHFFFAOYSA-N 433.450 -0.613 50 20 IBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 920833025 WSBOSSDRYVCALL-MRXNPFEDSA-N 429.455 -0.721 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1ccccc1=O 1779264847 KZUSSTOOBNUBHY-OPAMFIHVSA-N 439.277 -0.767 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccnc1S 1783547518 OFFOWNRZRBQTMN-WBAXXEDZSA-N 441.318 -0.043 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1786401004 LWZHESQULAJWQD-YFKTTZPYSA-N 431.287 -0.651 50 20 IBGD Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984502 MWPFSQRVVXBSBY-BPUTZDHNSA-N 444.322 -0.379 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986657 VSRJLLNQUUAKPH-UDDICAGYSA-N 440.309 -0.274 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cn1)C2 1797749862 ZMGBGPPVLAYHQP-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cscn1)C2 1797750565 LIVKWLCNFSLCIX-DPIQGUFMSA-N 430.490 -0.413 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798732437 ZKQFHZUZCLBRBF-ZPLRYINRSA-N 444.448 -0.496 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)C1 1801009179 QWAFRIUPUJBNPA-GMKVZWAMSA-N 438.525 -0.462 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802334913 SBHKWUGMAUJXTM-XQLPTFJDSA-N 431.559 -0.675 50 20 IBGD Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1804745290 DSWDKBOAFHAJJU-RDTXWAMCSA-N 449.475 -0.158 50 20 IBGD Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1805319027 NAJFZXOBWYEENF-WMZOPIPTSA-N 434.265 -0.477 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731794 PTNXWOFEQJFVBC-JXFKEZNVSA-N 428.913 -0.259 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835114401 GBZYBXLMCQZWAH-IGCXYCKISA-N 432.315 -0.248 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)C(=O)O 1835763015 UCYVADJPUNCWMC-IFUGULHKSA-N 440.266 -0.804 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836206060 LQCYTXKROSVPDY-CJNGLKHVSA-N 430.303 -0.235 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840152108 XLPKWWFOWJIYFQ-QOKNQOGYSA-N 426.901 -0.208 50 20 IBGD CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840567566 AWAOIYJKPCXJJB-HXUWFJFHSA-N 427.546 -0.844 50 20 IBGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 17195679 YJHYUORZKRBFQO-UHFFFAOYSA-N 446.423 -0.244 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)Cn2ccc(=O)n(C)c2=O)c2ccccc2c1=O 32673378 GKGCKMXTMKASLS-UHFFFAOYSA-N 440.460 -0.092 50 20 IBGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742239875 HFTLZQGUJDXDAX-DKTYCGPESA-N 449.489 -0.708 50 20 IBGD CCOC(=O)CNC(=O)C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 749464402 VXXLAGUCQXRIBH-UHFFFAOYSA-N 435.437 -0.253 50 20 IBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 751202046 OWZCQVFJWYMQSA-UHFFFAOYSA-N 437.478 -0.016 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 764226306 HRGRPTCLLZIVDA-LBPRGKRZSA-N 442.494 -0.484 50 20 IBGD NS(=O)(=O)c1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 807966509 MSGQIOLGSAYCMA-VIFPVBQESA-N 439.313 -0.083 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCc4nnn(C)c4C3)cc2)CC1 810341439 KBLZAAKQHXWQDW-AWEZNQCLSA-N 433.538 -0.001 50 20 IBGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779393 DBJPFJXJPLIVGN-OAHLLOKOSA-N 442.494 -0.011 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783342420 LQYYZQKVXHTVKN-CRAIPNDOSA-N 439.115 -0.017 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1783933657 CBOLCGAIQJGKLC-XMSQKQJNSA-N 431.537 -0.068 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1785074654 VTMBOWLXUROTDD-CYDGBPFRSA-N 435.905 -0.591 50 20 IBGD CC1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786978619 DRQAZCRHWBDOHM-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)(F)C(F)(F)C(=O)O)c1ccc(B(O)O)cc1 1793973236 XZFNGHLFPXOIFQ-CLLJXQQHSA-N 446.162 -0.027 50 20 IBGD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nn1 1795735100 MDSDWQAWIYHVFO-JLVBRIDZSA-N 441.297 -0.770 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2cncc2c1 1797504222 FLMVWPWXLADUOO-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD CC(=O)O[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)C 1797589676 IOGBUDGQBXJQSB-UKBAYJJMSA-N 432.282 -0.843 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1C(N)=O)C2 1798440650 GKRFMKVLTXCYAF-CLLJXQQHSA-N 437.460 -0.255 50 20 IBGD O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807677902 XHJFFUZXIOQFJP-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD N=C1NCCN1CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967073 QLTHYPSITNQUIH-UHFFFAOYSA-N 427.314 -0.949 50 20 IBGD O=C(Cn1cncn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341533 ZCRRACITWYFPPP-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833752751 KIMQYYITMGHTQC-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccno3)CC2)CC1)c1ccc(B(O)O)cc1 1834797568 ZXMVWUXYLHNCQI-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD Cn1cccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457078 VANIPPWUDSIRCS-NRFANRHFSA-N 442.476 -0.593 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837717377 DAIJMORZSDDPEZ-LJQANCHMSA-N 439.541 -0.781 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840030542 PADCRHSFFQBKPG-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107651 VHECAZGHHCWLEW-KXBFYZLASA-N 431.917 -0.291 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840154335 SUKMHUUMIVRBIZ-UWVAXJGDSA-N 446.976 -0.668 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409920 LEGZYRWIXMXVDY-KSSFIOAISA-N 428.873 -0.434 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CCc3ccccc3O)c2)CCN1 730033782 SYQNIDLYGWXBGF-UHFFFAOYSA-N 446.485 -0.094 50 20 IBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)COc1ccccc1O 730782040 FUAXQBRVRRAVCS-UHFFFAOYSA-N 438.462 -0.408 50 20 IBGD O=C(COC(=O)c1cn(Cc2ccccn2)nn1)NNC(=O)[C@H]1COc2ccccc2O1 745580493 TYHAYOYADCDHFV-QGZVFWFLSA-N 438.400 -0.134 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 755051996 JYHQQGPEOQQZRX-NSHDSACASA-N 425.467 -0.045 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 763645708 XVTUXBMFJGAOIQ-UHFFFAOYSA-N 440.460 -0.200 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2c(C)c(C)nn2C)cc1 763732506 FSRGFDCOJGVZAJ-UHFFFAOYSA-N 436.494 -0.248 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3C[C@@]34CCOC4)CC2)cc1 763765234 ZNFWHWLMUXMIGA-YLJYHZDGSA-N 436.534 -0.125 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1 763809624 XYJRRNNEAGHZOG-UHFFFAOYSA-N 445.457 -0.027 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)COCc1ccccc1)CC2 764366373 AKBNHMSYSNCOIJ-UHFFFAOYSA-N 446.485 -0.152 50 20 IBGD CC(C)C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1=O 766639043 LHFJXVNHKFTXHD-ZDUSSCGKSA-N 447.496 -0.992 50 20 IBGD O=C(CNS(=O)(=O)c1cccs1)N1CCN(S(=O)(=O)CBr)CC1 777835858 DPJZTNXAAPEMFQ-UHFFFAOYSA-N 446.370 -0.147 50 20 IBGD O=C(CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)NCC(F)(F)F 779676478 ZWFWGESBEVHTEA-UHFFFAOYSA-N 429.399 -0.340 50 20 IBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915164916 TUMZPSRAUVMBRY-CYBMUJFWSA-N 437.565 -0.088 50 20 IBGD COc1ccc(C(=O)NNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 918779270 JSJOYZJLRSFVCW-UHFFFAOYSA-N 426.393 -0.032 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779417852 NZVBVTUVRPIEMM-QGWWYQLQSA-N 433.933 -0.595 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1779539981 YFPZHFYHZLOEPR-AUUYWEPGSA-N 440.573 -0.096 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@H]2COC[C@H]21 1782798288 BZZKBYZCDKEPMY-GOYZHWMFSA-N 428.294 -0.614 50 20 IBGD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784364883 GCJIXQUTPPHINK-OQUILHJVSA-N 446.508 -0.807 50 20 IBGD COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786423530 KVONDOQRTWAVDU-RCBQFDQVSA-N 433.465 -0.768 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788195457 OOUSZYNRZZIJPQ-VGWMRTNUSA-N 431.375 -0.003 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799362162 UKEIWAZTLSCWQW-YMSVYLFOSA-N 449.932 -0.549 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800757622 HIBGCTWDGQOHBR-NJBDSQKTSA-N 440.298 -0.387 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cncn1 1807374599 LOOXSYQDXIRBHJ-MOXGXCLJSA-N 448.292 -0.066 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807799091 DPHIDBWGJHXAQY-APWZRJJASA-N 434.265 -0.179 50 20 IBGD CC(=O)NCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817477011 KQAGIECSVCKISA-QGZVFWFLSA-N 427.270 -0.078 50 20 IBGD COc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830724683 YOFQMDDTLPGRPA-UGSOOPFHSA-N 431.848 -0.101 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1835929543 VGNGYFQEXNZSLT-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3ncon3)CC2)CC1 1837919119 GKXKJCNAXJCDKN-UHFFFAOYSA-N 428.254 -0.325 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840152179 AMLIHCXJPXWRFM-PXAZEXFGSA-N 430.845 -0.788 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)O1 1840184190 BTRTYUXYRFUJST-QINHECLXSA-N 426.514 -0.617 50 20 IBGD COc1ccnc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1OC 1843011842 ZPIIDOIEBXVKJH-UHFFFAOYSA-N 425.250 -0.091 50 20 IBGD COCCN1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 739035399 OAVKSCLMMGGBAQ-OAHLLOKOSA-N 441.558 -0.636 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC=C(C#N)C#N)c(=O)n2Cc1ccccc1 747823525 SUFKSTLLYUUHHO-UHFFFAOYSA-N 448.443 -0.394 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O)cc1 748964897 CNIXFAOAQJIISW-UHFFFAOYSA-N 434.540 -0.231 50 20 IBGD COc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 755037677 CQRHOPWQUIXBHT-JTQLQIEISA-N 441.466 -0.426 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)ccc1C 764150809 CANBLRNIOTVLRO-OAHLLOKOSA-N 432.458 -0.007 50 20 IBGD COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227625 OPEZKOHACRMJCH-ZETCQYMHSA-N 432.480 -0.564 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)Cc1cccnc1 764263392 GSDNCAFNPPLEKH-UHFFFAOYSA-N 431.474 -0.389 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(I)c1 783999189 KQAPAELTKYSTLD-UHFFFAOYSA-N 430.202 -0.001 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cc3ccccc3)[nH]n2)n(C)c1=O 786389500 DALRMBZFZVHUGN-UHFFFAOYSA-N 436.432 -0.791 50 20 IBGD CN(C)N(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 786761720 QFVMJEDODJWUEW-RISCZKNCSA-N 430.914 -0.194 50 20 IBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 874091349 MOYVRUYOTKZOAF-MRXNPFEDSA-N 428.493 -0.051 50 20 IBGD O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1323469062 NOIJOCCFVWRXEO-JTQLQIEISA-N 443.425 -0.277 50 20 IBGD Cn1ncc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)cccc21 1795734169 HQSJJTJHLSZJPD-VPTLXERWSA-N 448.288 -0.230 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797784743 HEBAWLBYQFTVNT-HLPPOEQASA-N 449.298 -0.144 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807711624 KGKXUMCVDAEANS-BOSXTWCSSA-N 432.525 -0.817 50 20 IBGD O=C(CCn1cncn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813318489 VWQFKHVHZFPMJA-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1819793112 KTSUBSCVVUPXIM-PELKAZGASA-N 438.897 -0.033 50 20 IBGD C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1827054381 BCLLMKRXTCMSKI-HNAYVOBHSA-N 440.313 -0.153 50 20 IBGD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1O 1830720163 UQYBJSAIHKFMSR-OXJNMPFZSA-N 442.896 -0.001 50 20 IBGD Cc1ncoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834363944 RVXDNWKXZUORCU-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1)C(=O)O 1834740082 MYOOTNDJIKDVCC-CVEARBPZSA-N 432.949 -0.126 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837698777 RRNXLXPEFPIUHE-BEFAXECRSA-N 427.574 -0.015 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838760821 BJNDACBIAJBCAS-SFHVURJKSA-N 449.976 -0.475 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839641421 HOOICZRWEJNATA-VFNWGFHPSA-N 448.524 -0.905 50 20 IBGD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840567565 AWAOIYJKPCXJJB-FQEVSTJZSA-N 427.546 -0.844 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840587631 FDNSXJKXWHSGFS-JTSKRJEESA-N 446.309 -0.747 50 20 IBGD COCCn1nccc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843509226 AZLZQOYNXGITNT-UHFFFAOYSA-N 427.465 -0.341 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)c1ncnn1C)C2)NC(=O)NCc1ccccc1 1845038578 VGGTWTYVUQEWHY-UHFFFAOYSA-N 440.508 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1845073026 ZZEUWTAGEQJSQR-CABCVRRESA-N 440.504 -0.097 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 725870423 HUDAMXWMUXVKNR-UHFFFAOYSA-N 430.469 -0.658 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731496936 YLZJLLUUEWOHQT-CQSZACIVSA-N 442.413 -0.301 50 20 IBGD C/C=C/C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 737789493 XKWMRDVGLSIQQZ-XVNBXDOJSA-N 440.460 -0.222 50 20 IBGD CCn1nc(C(=O)NNC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c2ccccc2c1=O 745828955 BNHZZFFOFBWJIS-CQSZACIVSA-N 443.508 -0.052 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 755849899 WCLVGJZFTOTLEP-UHFFFAOYSA-N 428.405 -0.128 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(C#N)cc1)CC2 764182707 PTTFDFNFWHAJLY-UHFFFAOYSA-N 427.442 -0.183 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 764230465 IWFPNWHRRFEHPT-SECBINFHSA-N 428.858 -0.451 50 20 IBGD Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 765128134 ZTQLBEMRULCNJO-UHFFFAOYSA-N 448.505 -0.323 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@]1(O)CCSC1 765546686 ZZBPRCNEKMACRZ-SFHVURJKSA-N 443.547 -0.345 50 20 IBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1OC 790053141 LGYVKMSZGZJTJS-SSDOTTSWSA-N 443.887 -0.618 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)ccc2-n2cccn2)n(C)c1=O 793677782 XBLRFPZEGQAIDC-UHFFFAOYSA-N 440.395 -0.780 50 20 IBGD O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)C1CCN(c2ncccn2)CC1 810348097 ICXFHRLTKXMWMI-UHFFFAOYSA-N 436.469 -0.042 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3nc(O)nc(O)c3c2)c1 915671714 ZJHRWTRWGNVVCN-UHFFFAOYSA-N 432.418 -0.239 50 20 IBGD CN(C)CCN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 916382511 GMFXKAMYJSZPMN-UHFFFAOYSA-N 440.570 -0.093 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 1318992673 NQICUQMVEZPCPZ-JTQLQIEISA-N 435.911 -0.070 50 20 IBGD C[C@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(=O)(=O)C1CCOCC1 1322617801 QSKJWLCTEQUHJK-LLVKDONJSA-N 432.524 -0.277 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785629329 FYABVEVKKFKXMT-IBGZPJMESA-N 449.420 -0.368 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984184 OSZWQZIVSPYCHB-QRTARXTBSA-N 444.684 -0.283 50 20 IBGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n[nH]1 1786984684 YHPPURLBYWEDLL-QOKNQOGYSA-N 440.265 -0.801 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1cncn1 1788611038 ITALVGLSGGJNOR-OQUILHJVSA-N 442.480 -0.869 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1791288768 TWVFPBBLTWYQLD-XEZPLFJOSA-N 448.480 -0.859 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c(c1)CNC2=O 1797548968 SSMRJKDDFHKQOC-XEMDLRDOSA-N 449.272 -0.873 50 20 IBGD Cc1cc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)no1 1797751849 VJVBKFIOANGOOZ-XCRGKXPMSA-N 440.460 -0.102 50 20 IBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1797852115 KWHFARRECYIISV-IVWMJMPLSA-N 427.465 -0.837 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(O)c1 1798833577 JUYXGISWDJKYIC-YVWYUNDQSA-N 440.261 -0.402 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811449692 AZITYDBCUHYUPN-UZLBHIALSA-N 447.260 -0.522 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833566507 GMGFAICUSILMHY-CXAGYDPISA-N 432.836 -0.548 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840185111 LGBMUPUBGNKXJK-HQMUEHRGSA-N 434.497 -0.748 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840878842 RPLBFPFYBCVTEN-OXQOHEQNSA-N 426.514 -0.758 50 20 IBGD CN1CCCn2nc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cc2C1 1845726479 RNEYWJGPEGSYDC-UHFFFAOYSA-N 437.309 -0.471 50 20 IBGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)c1cc(Br)c[nH]1 24124448 XDDJMOHZPXDZHG-UHFFFAOYSA-N 435.032 -0.149 50 20 IBGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)cc1OC 726716476 DLNWTNYEYISFPV-HNNXBMFYSA-N 432.477 -0.135 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 734241743 TXLOSOPLQLQLPQ-AWEZNQCLSA-N 433.469 -0.038 50 20 IBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cn1 735461472 IVBIZLGOQSTXIX-UHFFFAOYSA-N 441.413 -0.116 50 20 IBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 753786943 XXKDGEVWAHUVNB-CQSZACIVSA-N 447.583 -0.486 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756030328 DUDSSNVPSRDZPB-UHFFFAOYSA-N 426.430 -0.035 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 758038703 GDFZBWYPZCJTIU-ZJUUUORDSA-N 447.311 -0.113 50 20 IBGD COc1c(F)cc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1S(N)(=O)=O 778445553 PKRYEZGEAAGSQV-UHFFFAOYSA-N 434.446 -0.304 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(Cc2ccccc2)cs1 806977888 CSVBCOTVHFODOW-JTQLQIEISA-N 425.492 -0.243 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 810346847 YXHIJSIVGYVNRO-LLVKDONJSA-N 428.492 -0.797 50 20 IBGD O=C(COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)NNC(=O)[C@H]1COc2ccccc2O1 1320938005 GWHOOLNQTVKDCR-SWLSCSKDSA-N 438.458 -0.268 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)C1CC1)C2 1779371522 XIFDPEAXMQGHKL-IIBYNOLFSA-N 429.477 -0.208 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cncn1 1782531613 NIJWHXOEIFXILZ-RZQQEMMASA-N 435.529 -0.274 50 20 IBGD CN1CCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc2C1 1782558391 IVUVFUKNCZWGIZ-QFBILLFUSA-N 425.917 -0.238 50 20 IBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795112530 LIJKHTFHILWSOT-YWVIFJGQSA-N 425.088 -0.645 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccccc1C(=O)OCCO 1798566574 PNWKFGFYWCNQCM-RMHZUWNSSA-N 440.880 -0.361 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1802846791 CMCAHCOFLWPCOY-BZZMCLGOSA-N 447.540 -0.532 50 20 IBGD CCS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815168694 AJFBAGCROWDCSG-MRXNPFEDSA-N 448.310 -0.170 50 20 IBGD COCCOCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339914 UMVILIATQSQZAT-CQSZACIVSA-N 433.295 -0.288 50 20 IBGD Cc1nn[nH]c1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341355 XLHQYWXTFLKVDH-GFCCVEGCSA-N 426.267 -0.211 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364383 HWRPOWNUKLJPQE-KXBFYZLASA-N 433.933 -0.141 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830539004 YHVXRUWARHKJQD-CJNGLKHVSA-N 430.303 -0.235 50 20 IBGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)cc1O 1833404001 KDJLWPYACVIVHT-MRXNPFEDSA-N 431.287 -0.019 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C3CCOCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801140 RFDBRAOUCXZIKY-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840249685 SKQNASZNZYEVNS-BVGQSLNGSA-N 434.896 -0.260 50 20 IBGD O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841351013 DIWXIRSBJGLCFF-CYBMUJFWSA-N 430.852 -0.013 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1)NC(=O)NCc1ccccc1 1842884124 YEHAIBOIDANCLT-UHFFFAOYSA-N 430.513 -0.981 50 20 IBGD CC(C)COc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 756604835 GBTBQKBEPIRANI-UHFFFAOYSA-N 444.452 -0.284 50 20 IBGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(S(C)(=O)=O)c1 757609587 ZLMDUDQDZYXAQR-SNVBAGLBSA-N 447.491 -0.146 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C1 758056009 QWSYXGJPNGZPQV-QWHCGFSZSA-N 446.551 -0.194 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc3ccccc3)cn2)CCN1 764369369 DKGKHTLJCBOYCV-UHFFFAOYSA-N 448.386 -0.225 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)N[C@@H]2CCc3ccccc3C2)n(C)c1=O 764515680 QAJBYJMKRHXMAJ-CQSZACIVSA-N 441.517 -0.514 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc3c(c2)CCC3)n(C)c1=O 765721764 IIDDCYBOJAWDLH-UHFFFAOYSA-N 426.433 -0.851 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(N(C)C)ccc1Br 766321448 NSQRLCZPZKOLBR-QMMMGPOBSA-N 443.345 -0.238 50 20 IBGD NC(=O)c1nccnc1C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766659452 BLSADIXNJDMJRA-UHFFFAOYSA-N 431.884 -0.192 50 20 IBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766664894 XBVJTWAJQRFUSO-UHFFFAOYSA-N 448.911 -0.455 50 20 IBGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)CC1 783425784 DJQHPZLZQLDZNG-HXUWFJFHSA-N 437.566 -0.039 50 20 IBGD CCN(C)C(=O)[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 788892886 SLJHRZHMPOVPAH-ZDUSSCGKSA-N 427.531 -0.489 50 20 IBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 811480235 UPRSXLAVRFETDH-UHFFFAOYSA-N 445.457 -0.090 50 20 IBGD CCn1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)c2ccccc2c1=O 915107765 HLOMEXMKACLESC-UHFFFAOYSA-N 444.473 -0.107 50 20 IBGD C[S@@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1321354622 GSAVDTRZXGUJNW-MUUNZHRXSA-N 444.535 -0.437 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778774529 YYSNMWJJAGMJGE-OAQYLSRUSA-N 435.249 -0.605 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033645 AQPDKUWZHNLBER-SZNDQCEHSA-N 441.492 -0.105 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1783879481 VOQCBZYFHVBJKJ-GPMSIDNRSA-N 441.916 -0.459 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784496961 GNDGFRQXAMHGQA-IIBYNOLFSA-N 426.282 -0.657 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1 1791056016 LXPWGAUBFNJVMC-PSWFKFNGSA-N 434.331 -0.099 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1C[C@H]2CC[C@@H]1O2 1791089536 ZSPISJLTDRJBRO-CHZZJNJQSA-N 428.294 -0.473 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1792870575 GPHJCYBVTHREQU-HAFSJTIUSA-N 434.331 -0.742 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)cco1 1794999748 QANVZRMNEFFUIB-GBQKICQVSA-N 441.444 -0.023 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC13CCCN1CCC3)C2)c1cccc(B(O)O)c1 1795739696 BZTJVJKBMQLZRM-RMFSNUHRSA-N 441.337 -0.412 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740680 IEEXWSRPPBMLJJ-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1796439719 YNCCBZJCVFRJKY-HNZVXPEQSA-N 425.873 -0.690 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 1797750557 KOMYTELISYPJPL-DPIQGUFMSA-N 447.883 -0.562 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754407 VGEMQYDMEQYIMV-BAESOJJISA-N 425.873 -0.858 50 20 IBGD O=C1CC[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CN1 1815335649 IUPMXUVCJPCOQB-OCCSQVGLSA-N 442.306 -0.425 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831762923 JWMCOGBIKZASDN-RXULLKCLSA-N 443.464 -0.386 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)ccn1 1837937517 FZDBFJFMDPUDQO-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150549 NAESGAPZVJUXFC-CZUORRHYSA-N 426.919 -0.869 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1840832414 VVYRXRVIHRTFQC-KURUZVKSSA-N 445.476 -0.444 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844674482 JKGSYKBNZNBKQY-UHFFFAOYSA-N 427.465 -0.721 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)CCNCC3)C1 1845797296 OHQWIJLUMGFUPE-UHFFFAOYSA-N 449.515 -0.101 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc12 742036782 PQHARSCCGXXAKM-ZJUUUORDSA-N 427.508 -0.356 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)CC2CC2)c1 767223778 OYCJHJCPUOWUIQ-UHFFFAOYSA-N 432.524 -0.294 50 20 IBGD CCCOc1cccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 770196038 WPTKENMICTXIKR-UHFFFAOYSA-N 428.449 -0.387 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(COC(C)(C)C)on2)n(C)c1=O 770247757 UZEXYPJOBYSWPV-UHFFFAOYSA-N 433.425 -0.802 50 20 IBGD CC(=O)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)nc1C 777168366 YCBWHTYDFSUIHV-UHFFFAOYSA-N 427.421 -0.891 50 20 IBGD Cn1c(=NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)sc2ccccc21 783352009 SNDJMTHBKJOERR-UHFFFAOYSA-N 443.489 -0.134 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799259272 RVEDMBQPPPYADB-UHFFFAOYSA-N 430.259 -0.197 50 20 IBGD Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806787330 GAMJODPRYVKZAK-LLVKDONJSA-N 433.494 -0.088 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1ccc(F)cc1F 808935274 POOXNMNQDTWEGC-VIFPVBQESA-N 444.420 -0.517 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 816877680 ACRRQLYSJLBXJL-LBPRGKRZSA-N 434.478 -0.208 50 20 IBGD COC(=O)N(C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915808082 KRFOMEIHQOTFKY-UHFFFAOYSA-N 442.494 -0.514 50 20 IBGD Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c2c1CCC2 1777959554 FPBPQBMKFJMRGD-JOCHJYFZSA-N 438.293 -0.654 50 20 IBGD CC(C)n1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030856 YDOBTTKUBYCAFK-FQEVSTJZSA-N 442.480 -0.385 50 20 IBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)N1 1780771029 QKDZXPPLXJBFJT-JSKSWSIUSA-N 449.277 -0.211 50 20 IBGD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cs1 1786980187 SICRMTYGKYAAOL-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984600 UUDLGWABGVQRRB-BPUTZDHNSA-N 428.254 -0.848 50 20 IBGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788816364 HUKIATNUYUBHSE-SZMVWBNQSA-N 426.282 -0.387 50 20 IBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)C(=O)C(=O)O 1790634391 XFTLZFKOEMEIIF-SRVKXCTJSA-N 434.287 -0.706 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796890440 MIDBGUHJZVJBFX-MUJYYYPQSA-N 443.570 -0.577 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957013 XGBUCGZMPJVQAR-KYHPRHEASA-N 444.557 -0.078 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnn1 1807368157 ZLSMKDYSKURKRG-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815771096 NKYFOADPVCTYJP-CHWSQXEVSA-N 448.484 -0.627 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCS(C)(=O)=O)CC2 1826091838 FSHMIACRCBJGNZ-LLVKDONJSA-N 445.567 -0.137 50 20 IBGD CN(C)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724028 CHCKTSMFHPODEL-LPHOPBHVSA-N 426.901 -0.183 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COC(C)(C)C)CCO2 1832317221 IEZQJONJRUWDHL-FQEVSTJZSA-N 428.530 -0.369 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccco3)CCO2)C1 1833924620 BYWRWZYJINTHGA-HXUWFJFHSA-N 429.433 -0.338 50 20 IBGD CN(C)CCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834615131 MWXLZVFYBYZXSN-UHFFFAOYSA-N 430.358 -0.497 50 20 IBGD Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935415 RYPICFHWHMUETM-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837457083 XHDORXPVZSVCDX-DYESRHJHSA-N 447.492 -0.676 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839155228 ORSWAOOTMIXBKC-ZWKOTPCHSA-N 448.303 -0.396 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839963605 QDQCLFNMHLEWFB-QAPCUYQASA-N 448.358 -0.052 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840088159 OMIANGFKDUNGFL-PJIJBLCYSA-N 449.932 -0.044 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)c2cccs2)CC1 735117970 KTBCNIYDBDDTNL-UHFFFAOYSA-N 438.535 -0.048 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@H]3SC(=N)NC3=O)cc2)CC1 748622201 AMTSXCKAVSFIKN-CYBMUJFWSA-N 426.524 -0.378 50 20 IBGD Cn1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 761020716 QYIKXXTZZXTKJO-UHFFFAOYSA-N 436.494 -0.372 50 20 IBGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763839661 KICVSHYBHCBQNZ-UHFFFAOYSA-N 446.391 -0.107 50 20 IBGD COC(=O)c1cn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)nn1 766639714 BHYYXWQRHXQENT-UHFFFAOYSA-N 429.481 -0.662 50 20 IBGD COC(=O)N(C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 804125562 HDLXYPGJZAWMRE-NSHDSACASA-N 430.439 -0.900 50 20 IBGD COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 808088384 FTDZHQKEYNTCOO-SSDOTTSWSA-N 442.903 -0.446 50 20 IBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 1320274884 LTKSMRUYUCNQAT-UHFFFAOYSA-N 439.519 -0.109 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780765341 LLIOHMOPWUFAAF-YMYKSDKLSA-N 449.508 -0.357 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781058901 DYXFSYKTJHKNAG-DRSNIGMVSA-N 449.552 -0.410 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210519 XRHZFBCAWHTQEU-CSODHUTKSA-N 439.557 -0.212 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784803967 ZVVDEWDAXDZSRZ-SIKLNZKXSA-N 429.326 -0.317 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)nc1 1792362478 IEAPLADWMDGIBV-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795439155 CEKFSKNJZZTSBW-GWGBFROSSA-N 446.508 -0.958 50 20 IBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796393499 VZEFWUCIAHVJKY-ZQNQSHIBSA-N 449.932 -0.285 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1F)C2 1797748264 NXPYJVXDHSSJBJ-CULMDFNYSA-N 446.414 -0.125 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N1C[C@H]2C[C@H]2C1 1797751526 CRFPAPWSJCURQX-VMKZXYDASA-N 442.520 -0.772 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994494 MPACQFNQEAKTDX-FAQVEIGNSA-N 443.504 -0.100 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808217958 OAMKVVKZCBQGHS-AYOQOUSVSA-N 435.488 -0.072 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833651670 RUSVPXJIQLCZKV-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1835933941 KEUZZHHIQWXDBD-HTAPYJJXSA-N 441.293 -0.501 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836629349 IGZSCKVPCRSZHD-LPYMAVHISA-N 435.481 -0.570 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839215510 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LDFZCMUZIOLGJS-UHFFFAOYSA-N 445.457 -0.060 50 20 IBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763824459 KNQYUTLRIXBZIT-UHFFFAOYSA-N 447.473 -0.866 50 20 IBGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 764229717 BVHMHHPETLULIL-SSDOTTSWSA-N 437.272 -0.988 50 20 IBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3CCS(=O)(=O)CC3)n[nH]2)cc1OC 768276836 MGWVSJBUWLOQTL-UHFFFAOYSA-N 437.478 -0.415 50 20 IBGD COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 778645038 GOGXGKCYHLQNBX-HUUCEWRRSA-N 442.494 -0.165 50 20 IBGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 799262335 SYZYURWCAFHWEJ-UHFFFAOYSA-N 431.430 -0.381 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)CCCCC3=O)n(C)c1=O 810593254 VZECXIYRFBYSMM-UHFFFAOYSA-N 438.444 -0.196 50 20 IBGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 919883530 DMKBIVYQQKFISV-CYBMUJFWSA-N 432.524 -0.153 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778585685 RQWVNIMHQRTMFY-QFIPXVFZSA-N 434.261 0.000 50 20 IBGD CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)COC1 1788609795 KWHLTZXOAJBVQM-JQFCIGGWSA-N 431.493 -0.295 50 20 IBGD O=C(COc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795197314 XJRJKTKIMNHCHJ-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753974 MYHWUVMDOPPZJO-NJBDSQKTSA-N 440.298 -0.328 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797871541 ZOFXTOAOERYLBU-JAAXMTQOSA-N 439.900 -0.562 50 20 IBGD Cn1nc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cc1O 1807369097 AJPKEAXFHDNWEU-OXQOHEQNSA-N 449.276 -0.166 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1810303722 VHWHISNRGDLTFR-BBRMVZONSA-N 435.448 -0.168 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830038066 BKQGPVGZBAVPLP-CXAGYDPISA-N 449.346 -0.255 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1830631851 IPSHMLFMSUSCQG-XLIONFOSSA-N 428.530 -0.777 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831645814 GKXUGDHVHVNDKE-PXNSSMCTSA-N 438.717 -0.156 50 20 IBGD Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834065649 MFOVKSBFWHJCHY-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836468973 YWSOUYIHGZVMFF-KUHUBIRLSA-N 441.868 -0.478 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201078 QZWIRXXJBOVKKJ-WBMJQRKESA-N 438.294 -0.095 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839961813 JQWQVXVHJRGLPD-GUYCJALGSA-N 449.346 -0.113 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107648 VHECAZGHHCWLEW-BEFAXECRSA-N 431.917 -0.291 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 764229621 BISHMXFWWODMAI-QWHCGFSZSA-N 441.510 -0.897 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Br 764231901 QXGDMGYSVBHKNT-SSDOTTSWSA-N 437.272 -0.519 50 20 IBGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764424217 GOZHWSAIIDBKLW-HNNXBMFYSA-N 436.490 -0.315 50 20 IBGD O=S(=O)(CBr)N1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 767851745 UCMBJVSOPQTFCC-LLVKDONJSA-N 443.345 -0.167 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c(NS(=O)(=O)C(F)F)c1 769633013 GJPOTNCGAYTSHX-SNVBAGLBSA-N 445.422 -0.616 50 20 IBGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(F)(F)F 805769214 MIZSENPYRMMPFU-VXGBXAGGSA-N 440.400 -0.021 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807952058 CZEQJHPZZXSFCZ-UHFFFAOYSA-N 435.510 -0.485 50 20 IBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cn3nc(C)cc3C)n[nH]c2n1 917391648 CICTXMXLYYEZTK-UHFFFAOYSA-N 447.529 -0.442 50 20 IBGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919884576 HCSWFCIVKWUPHO-CYBMUJFWSA-N 448.523 -0.267 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)CC1 1318289465 GBARIOOUTTWWIF-CQSZACIVSA-N 430.552 -0.109 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1778795310 CIYLHKLCTUGEIN-UWJYYQICSA-N 447.492 -0.284 50 20 IBGD Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)c(=O)nc1O 1783112660 VGPQWKIQJQCCRJ-IQUTYRLHSA-N 442.900 -0.629 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783876097 RRXCSMSJAAQKDK-SJCJKPOMSA-N 446.913 -0.465 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1783967899 ZFSBFGDRUIYLES-MDLJMBGESA-N 448.358 -0.352 50 20 IBGD Cc1nccn1CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784404745 LPXQBIMJYBOALY-JOCHJYFZSA-N 440.309 -0.205 50 20 IBGD CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984522 PWUGUOMOVWACIG-WDSOQIARSA-N 442.325 -0.758 50 20 IBGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)cc2C1 1790522409 CQYSWYRCJIZTCQ-IKICRFKJSA-N 439.944 -0.088 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2c1OCC2 1796793738 VZNLKHNHXBJDHB-XEMDLRDOSA-N 436.273 -0.182 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)[C@H]1SC(=N)NC1=O 1796874844 LHPONLKJPUNBDR-YDVLKRNPSA-N 444.322 -0.579 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1796890623 BGRXYTLSXIZNCL-BQELMUNXSA-N 443.464 -0.690 50 20 IBGD O=C1NCCn2nc(C(=O)N3CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]3c3cccnc3)cc21 1803141184 LYAXNNIUHRVRNA-KBRIMQKVSA-N 446.895 -0.059 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cnnn2C)[C@@H]1c1cccnc1 1813070037 DKLSEYVRAZMHBN-HNAYVOBHSA-N 428.497 -0.097 50 20 IBGD O=C(CN1CCOCC1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339781 ONJPMBZVQKOJBW-OAHLLOKOSA-N 444.322 -0.619 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833875259 FRYLASMONNDBKA-WBMJQRKESA-N 430.303 -0.084 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CC3(O)CCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834800592 QBUFOJRAUKBGOR-UHFFFAOYSA-N 443.353 -0.143 50 20 IBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccco1 1836124722 NMOPQIMNGBXVGP-UGSOOPFHSA-N 429.857 -0.935 50 20 IBGD CC(C)(C)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457946 XVIXFFQZEDXMOF-NRFANRHFSA-N 448.524 -0.857 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839412893 RFKIWNKJSRQCNU-YJBOKZPZSA-N 443.840 -0.030 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185337 OOOHUBMKZCIPLS-CXAGYDPISA-N 449.346 -0.401 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732472561 DJXSEYDVBDSDKL-ZDUSSCGKSA-N 430.483 -0.410 50 20 IBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)CN(C)C 733361342 ZGDUQIGMVPXJGQ-KRWDZBQOSA-N 428.511 -0.140 50 20 IBGD O=C(O)c1cc(Br)cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 762462621 LHXUEVSJFYOHLR-SSDOTTSWSA-N 441.281 -0.109 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3n[nH]c4c3CCC4)CC2)cc1 765726460 CCCDZKJUNMUJAJ-UHFFFAOYSA-N 446.533 -0.026 50 20 IBGD Cc1cc(S(=O)(=O)NCCNC(=O)NNC(=O)CNC(=O)c2ccco2)c(C)s1 771976777 IHAIELZSCNHBEW-UHFFFAOYSA-N 443.507 -0.003 50 20 IBGD CCc1c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 772210502 BJKFXKOULUUVCO-NSHDSACASA-N 433.465 -0.067 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815268613 MAROOLKGRMZZNS-JTQLQIEISA-N 448.885 -0.432 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 906442210 WILXHZONSRAWQZ-UHFFFAOYSA-N 437.463 -0.806 50 20 IBGD CCCn1nc(C(=O)NNS(=O)(=O)c2n[nH]cc2C(=O)OC)c2ccccc2c1=O 912521102 HNPKDVXUOQJZDR-UHFFFAOYSA-N 434.434 -0.061 50 20 IBGD O=C(CCc1nc(-c2nc[nH]n2)no1)N1CCN(S(=O)(=O)CBr)CC1 1320140799 ZEDMLLXMDMCKII-UHFFFAOYSA-N 434.276 -0.386 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777932340 VDHJTQMCAAUWQJ-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1779034070 LJTWDGKWYXXGAL-OAQYLSRUSA-N 444.492 -0.859 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034878 WFPNHEJKXSAAJA-NRFANRHFSA-N 440.460 -0.650 50 20 IBGD Cn1nccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371012 GMVFYFZFNBHGPU-DYESRHJHSA-N 441.492 -0.140 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1781226922 CVBIZKKOJGAZHC-ZIAGYGMSSA-N 432.241 -0.223 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1781231523 AVWDEFAERIJINC-DLBZAZTESA-N 426.341 -0.661 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331871 RJKKRSLTBBJSKT-IAQYHMDHSA-N 430.234 -0.291 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1782210795 MJHWKOWGVAFUFL-IIBYNOLFSA-N 437.541 -0.504 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783341669 DFGSIMDKBWZMET-BDJLRTHQSA-N 431.287 -0.458 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788119637 LEYNFFMBSTZCAK-XLGDDXSJSA-N 431.493 -0.129 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc(Cl)c1 1794755196 DEJMCESNAIABHF-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1 1794820800 ZRUVPWKYVWBYMG-HXQQXZKVSA-N 425.449 -0.186 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1F)C2)c1cccc(B(O)O)c1 1795736873 MFHKQZXAZRXBHS-FVCICTRLSA-N 431.204 -0.443 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(Cl)n1)C2)c1cccc(B(O)O)c1 1795737223 GZLBFIYJOSBMHT-YVWYUNDQSA-N 443.696 -0.139 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccccn2n1 1796832192 PCACSXMTRXSRQJ-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)[C@H]1SC(=N)NC1=O 1796875132 NSQBIQFPIDJBKP-LMXXTMHSSA-N 444.322 -0.579 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@](C)(Cl)CCl)C3)CC1 1797305989 FLIOQJKWSVOYTL-HIRMHNASSA-N 449.379 -0.024 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797551341 YPSXAUJPXWMFGF-CWPLJXCYSA-N 443.504 -0.494 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978641 GBAQYUMTMIHGMQ-INIZCTEOSA-N 444.341 -0.081 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)[nH]n1 1819401927 XKNXQEHFNPLDHS-KBPBESRZSA-N 442.436 -0.178 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737251 CKDSUFLJGAXOTJ-OXQOHEQNSA-N 437.880 -0.007 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938319 RVIUZYJMGJBUKE-PGRDOPGGSA-N 446.309 -0.991 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1835940214 ZHIPIGYJEAJDNO-TWFHAPMSSA-N 444.318 -0.689 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535969 FZIPVOOJQXMAJI-KXBFYZLASA-N 427.885 -0.291 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 728312464 QJZGOLNAMZZIIY-UHFFFAOYSA-N 439.519 -0.061 50 20 IBGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 733347403 XBHYQLBFBUQURN-AWEZNQCLSA-N 425.515 -0.553 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 749354791 XKLPGVYNCJLJTD-UHFFFAOYSA-N 429.499 -0.775 50 20 IBGD O=C(COC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 751669114 FITRAJPJLVTXHZ-ABAIWWIYSA-N 429.389 -0.707 50 20 IBGD CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755064477 QYMIKHHXVXTTMS-RDBSUJKOSA-N 446.570 -0.206 50 20 IBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)c1 758032148 ZVUUDTPWZILAGH-MNOVXSKESA-N 428.467 -0.858 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(S(=O)(=O)CBr)CC1 758512031 GPBOIVWYJPWZOA-CDGCEXEKSA-N 446.323 -0.380 50 20 IBGD CC(C)(NC(=O)C(F)(F)F)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 759128407 FZKLMRFUWYEJKY-LLVKDONJSA-N 433.339 -0.026 50 20 IBGD COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 760897127 DOIGQNLVHNMGTK-UHFFFAOYSA-N 442.475 -0.346 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 763648354 CITFOHOPIUBMGL-UHFFFAOYSA-N 437.478 -0.291 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 764225583 APWCHJXCXGUETP-RISCZKNCSA-N 428.467 -0.732 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F 764226450 ISMGUTXWNVUFHG-ZCFIWIBFSA-N 428.801 -0.035 50 20 IBGD Cc1ccccc1-n1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 765727538 KLUCXXQHNYWYTJ-UHFFFAOYSA-N 436.432 -0.611 50 20 IBGD CC(C)COc1ccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765728332 NWILUJUTNVIGSA-UHFFFAOYSA-N 442.476 -0.141 50 20 IBGD CCCCCCn1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(O)nc1=O 769625217 RGHFRUWNANVVAB-UHFFFAOYSA-N 441.466 -0.138 50 20 IBGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 771615612 GCQFGQIKGPOMMU-LJQANCHMSA-N 427.421 -0.197 50 20 IBGD Cn1cnn(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1=O 778529913 JKNGLSNQGMDOKG-UHFFFAOYSA-N 433.428 -0.199 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)CCN1 784003510 HRBPFNHYISQMEW-UHFFFAOYSA-N 444.473 -0.800 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 799857220 RCKWTVBBLKJXMB-NEPJUHHUSA-N 446.555 -0.358 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 912979313 GKVHVWOSOFUKGN-UHFFFAOYSA-N 443.507 -0.937 50 20 IBGD COc1ccc([C@H](CNC(=O)NNC(=O)C(=O)NC2CC2)N2CCOCC2)cc1OC 915895343 LALSLSXZAZAONL-HNNXBMFYSA-N 435.481 -0.314 50 20 IBGD CCOC(=O)CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916523667 ODGZLNFSWSKNBL-UHFFFAOYSA-N 428.515 -0.013 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 920423827 GSIVTAYWXSMAPO-CHWSQXEVSA-N 425.463 -0.743 50 20 IBGD Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c2c1CCC2 1777960060 IOAMKOQPBOQZLK-QFIPXVFZSA-N 438.293 -0.654 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1779032455 KOBHXSSHJYFEBJ-LJQANCHMSA-N 443.420 -0.321 50 20 IBGD Cc1nccn1CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036882 IAIZCECNSNKJAC-FQEVSTJZSA-N 427.465 -0.666 50 20 IBGD O=C(OCCO)c1ccccc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780154230 CMOYFKUURPRZAX-UZLBHIALSA-N 440.880 -0.121 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983980 ISZLOOMSFSXEBR-CBVHJVASSA-N 445.325 -0.736 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787450203 WREKZEOBHYEOME-HVQZGBDUSA-N 429.880 -0.029 50 20 IBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)o1 1788610207 JXSUJGWSBMAYQO-RCBQFDQVSA-N 443.464 -0.787 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1ccc(B(O)O)cc1 1795735297 XASMNAOYEVPAML-FVCICTRLSA-N 428.210 -0.880 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800640405 WJBAJXSVOMYBNO-MIJXAVMKSA-N 431.287 -0.699 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812653331 CWDJCCPIJADIBD-CFLQYTFWSA-N 432.525 -0.015 50 20 IBGD O=C(Cc1cnc2ccccn12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830655831 ZNFMJJYACVFDGO-OXJNMPFZSA-N 436.896 -0.067 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C3CC3)CCO2)C1 1830790794 PPTMFBBRBQVAIP-SHTLVRLNSA-N 429.477 -0.279 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccs1)CCO2 1834432817 WCCNQNYLZCHGDW-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835257991 ZCFKGOHMFZMRQJ-CABCVRRESA-N 431.338 -0.276 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1835938501 WULPJSBQBSWYQY-HXUWFJFHSA-N 448.668 -0.003 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837460300 ADRGXHGYVHIPBF-NRFANRHFSA-N 445.476 -0.551 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1840369688 LLCFAWFRWVWRAL-FQEVSTJZSA-N 437.497 -0.645 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 18227430 DXOQFETVAQSSDN-UHFFFAOYSA-N 430.421 -0.698 50 20 IBGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 728384765 LIERFQAWNDEGIT-FMTVUPSXSA-N 428.511 -0.295 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 729277155 SVSGLKRWIHCOCU-NXEZZACHSA-N 447.311 -0.113 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 730825167 LFDLDHUIQHYIFH-UHFFFAOYSA-N 429.437 -0.161 50 20 IBGD CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 732408832 QLOWPHNBBKKMGV-LXXRFIIISA-N 440.412 -0.015 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)s2)c1 745477421 XPEJSPSIBJBTGB-UHFFFAOYSA-N 432.505 -0.279 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c2)C[C@H](C)O1 748247062 TWODVKOGEKVDDL-KBPBESRZSA-N 438.506 -0.132 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 758042900 BVKVSLOHNPOELR-UKRRQHHQSA-N 446.551 -0.687 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1=O 763807115 KRNVOVWOZBNJOV-UHFFFAOYSA-N 441.400 -0.552 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 763825603 SBRRMQQRXXUFRS-UHFFFAOYSA-N 431.474 -0.039 50 20 IBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 768568815 HYLYQDNJSGAMOW-UHFFFAOYSA-N 439.538 -0.312 50 20 IBGD O=C(COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cccs1 786992889 JIAIRJUPFDDNAU-AWEZNQCLSA-N 438.506 -0.234 50 20 IBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(C)c1 797072436 WYJZHSGTBVWULS-UHFFFAOYSA-N 447.473 -0.303 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 798309479 GFPBJTQMEFDXSJ-BTAUDXDXSA-N 428.445 -0.060 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 806787066 AEDYPUXCUVNFLB-JQWIXIFHSA-N 432.503 -0.587 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 807372055 XEPILJBDHNSMBI-UHFFFAOYSA-N 432.499 -0.404 50 20 IBGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 917727526 JQBUEENGJLMYOU-UHFFFAOYSA-N 429.462 -0.036 50 20 IBGD O=C(CNC(=O)c1ccc(Br)s1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212680 UCVUTZGGQZFJMC-ZETCQYMHSA-N 439.313 -0.242 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21 1788607746 DJYASNFOWIOTHM-WBAXXEDZSA-N 430.509 -0.626 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764661 QUGDUVZEECGXDE-YXWQFLTLSA-N 431.562 -0.118 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112782 DGUXVTUAKMAOIL-NRWUCQMLSA-N 440.360 -0.311 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc1 1795738951 MAALWQPCGVRXTE-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1796446250 QDCOXPRBJWTVHK-UGHHZANQSA-N 442.480 -0.437 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753134 UXGPOCPVAXIHSV-HBCWATKFSA-N 441.492 -0.529 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)c1cc(=O)n2[nH]nnc2n1 1800158917 GTFIXJAKMAVOMX-FBSDJGSXSA-N 428.222 -0.245 50 20 IBGD CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1801042059 RMHKQADGOANDGK-BOLBYERCSA-N 447.536 -0.043 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccnn1 1802939533 GTSLQVFWJIJITN-BTTYYORXSA-N 425.449 -0.194 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1831657018 KQALLMIIJONIJS-LPHOPBHVSA-N 435.949 -0.863 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834532630 OQXNOKCCXDBRFB-FZKQIMNGSA-N 428.873 -0.191 50 20 IBGD O=C(CC(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835331095 CQFWKFNACBESCO-KRWDZBQOSA-N 430.188 -0.611 50 20 IBGD O=C1CCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835411822 NVKUBBHGKNCVHV-ZBFHGGJFSA-N 436.278 -0.244 50 20 IBGD O=C(CCc1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927135 IIBIYDWFBLJPOT-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1835929147 CEPMGSZOLFKLSR-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933693 AKNRGVKVQWGHFB-PXNSSMCTSA-N 438.717 -0.156 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835999252 GGIMNKRFIFZDLU-KXBFYZLASA-N 427.885 -0.442 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199936 AGQQVNGMSRPMHY-KFNAQCHYSA-N 436.278 -0.176 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839963468 LEZIOOONZMAPFZ-DYVFJYSZSA-N 446.346 -0.544 50 20 IBGD CC(=O)NCC(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1845991186 IHYBCYZKLUQFAN-UHFFFAOYSA-N 430.509 -0.328 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512472 CBTDPFIUGARAKT-SOUVJXGZSA-N 441.529 -0.553 50 20 IBGD COCCCNC(=S)N(C)NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 726075219 AACJINNVLRBLMG-UHFFFAOYSA-N 431.540 -0.203 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746387914 ZHCPCESGFFWWDU-MRXNPFEDSA-N 434.493 -0.208 50 20 IBGD COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 758374241 PMSXSLZLIJXPQG-NSHDSACASA-N 435.462 -0.338 50 20 IBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 758513735 TYHFTMGSWPHAHK-GFCCVEGCSA-N 446.389 -0.126 50 20 IBGD CNC(=O)c1cccc(OCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 758833173 XYOBGUAYLIIXMJ-QGZVFWFLSA-N 443.412 -0.044 50 20 IBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)C(=O)Nc1ccccn1 759098951 MTQYDFQTTPCERM-UHFFFAOYSA-N 449.445 -0.693 50 20 IBGD COCCCOc1cccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764813028 UHUOIUMZONSMJE-UHFFFAOYSA-N 428.449 -0.001 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 778440899 LUQUPKNJMHAOLL-CQSZACIVSA-N 427.502 -0.628 50 20 IBGD COCCNC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 915879328 VHPFKDBWSSEUEP-AWEZNQCLSA-N 444.510 -0.071 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594410 ZXJMPWROKVWVTQ-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)c1 1779371233 VLYZZMPKIDYZFE-DYESRHJHSA-N 441.492 -0.140 50 20 IBGD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)CCCN1 1780673138 RMMPTVLMSCRCIE-ZPMCFJSWSA-N 444.536 -0.045 50 20 IBGD COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791133048 LDOVESUWKSGSQO-NXOAAHMSSA-N 436.933 -0.365 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807355986 RDIGITMJPWDVGW-JGGQBBKZSA-N 445.867 -0.268 50 20 IBGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807364243 STLKNCIPYUQSTO-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD C[C@H](CC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815292898 HZDREYVCRMYARB-MLGOLLRUSA-N 427.270 -0.093 50 20 IBGD O=C(CN1CCOC1=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335662 JGLIYBFISDITCD-ZDUSSCGKSA-N 444.278 -0.499 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833864521 JLBPWXIEZGJBGT-KBXCAEBGSA-N 430.889 -0.248 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937897 AJDBWINCKPWZLV-NRFANRHFSA-N 442.281 -0.910 50 20 IBGD N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837457451 CMDHSVOSUKZSNA-HXUWFJFHSA-N 428.449 -0.941 50 20 IBGD O=C(c1cc(O)nc(O)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199529 PKKAOKLWWBYLHJ-IAQYHMDHSA-N 449.233 -0.352 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NNC(=O)CO)c1 755393171 TUYLMKCACBFTAZ-UHFFFAOYSA-N 429.499 -0.301 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)c1 780155243 YTPACPINRYLNPK-UHFFFAOYSA-N 425.511 -0.748 50 20 IBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)[C@H](C(=O)OC)C1 780350660 QKBMDGSTZJIBLZ-KBPBESRZSA-N 437.449 -0.109 50 20 IBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2C1 792736947 SVJJSTVVSXMXJC-ZDUSSCGKSA-N 447.521 -0.051 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 810572462 SFHMJWKEURBDBG-UHFFFAOYSA-N 427.389 -0.785 50 20 IBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 815827361 WJYNIYDTAOMAMQ-INIZCTEOSA-N 436.534 -0.193 50 20 IBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)NS(=O)(=O)c1cccnc1Cl 816873562 JZAGSQBISLRSKD-GHMZBOCLSA-N 441.901 -0.207 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc3c(c2)CCO3)n(C)c1=O 1319795458 WOVOXERVTFHOPF-UHFFFAOYSA-N 426.433 -0.851 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782043579 XVYKHGBMSGIEJB-NRFANRHFSA-N 426.234 -0.465 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785378744 NMISKTIBPRLIEN-QHCPKHFHSA-N 449.272 -0.239 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786893079 WBDRCJXWILDTTM-HPCHECBXSA-N 433.347 -0.268 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982089 LULGMOWDDAFFJD-HSCHXYMDSA-N 440.309 -0.274 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n(C)n1 1791291021 HOIOQPYESXTMJW-ZVZYQTTQSA-N 434.541 -0.051 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806853718 XUVVWTAYXPHHLA-CQSZACIVSA-N 436.513 -0.811 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1ccnn1 1807368159 ZLSMKDYSKURKRG-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1813028324 OQGNKYMLFLHAON-KEYYUXOJSA-N 437.884 -0.107 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1813070474 GZRPDXQYWHUDMW-XMSQKQJNSA-N 446.552 -0.207 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077743 QEPLKVWNKACRCY-HNNXBMFYSA-N 444.916 -0.209 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1837459494 RWKOOEQJOFRKRF-HXUWFJFHSA-N 428.449 -0.603 50 20 IBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1ccccn1 17329490 QLENSQYXWYORNZ-OAHLLOKOSA-N 440.503 -0.376 50 20 IBGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)N[C@H]1CCS(=O)(=O)C1 730533473 HFZXCVCTSKLFOP-AAEUAGOBSA-N 438.462 -0.672 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCc4c[nH]nc4C3)nc2)CC1 758905818 LBHSIHVZIDHSQH-CQSZACIVSA-N 434.526 -0.076 50 20 IBGD O=C(CCn1nnc2ccccc2c1=O)NNC(=O)c1csc(N2CCOCC2)n1 761386948 RGVADKZXDALBNI-UHFFFAOYSA-N 429.462 -0.064 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNc2ccc(OC)cc2)c1 764320140 KKZLDUDKDIDCJT-UHFFFAOYSA-N 425.467 -0.179 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)nc2ccccc12 765725925 VTMSSFJRWTXUTA-UHFFFAOYSA-N 437.416 -0.543 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC1COC1)c(=O)n2Cc1ccccc1 769679464 LYCHQGJVLAISHQ-UHFFFAOYSA-N 440.460 -0.388 50 20 IBGD CCNc1ccc(Cl)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 792400245 MWQRGZKDWOBYQO-UHFFFAOYSA-N 433.856 -0.020 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N[C@@H]1CCS(=O)(=O)C1 919886213 RFMPTUZPZLRWIA-VXGBXAGGSA-N 438.462 -0.672 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784954407 SYAPFDLCGHXSOU-BJDJZHNGSA-N 431.287 -0.699 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCOCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979508 RBSOEVBWWPCFFP-IHPCNDPISA-N 430.310 -0.224 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)no1 1788610767 TXLOEBIGXNRWRK-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2)[C@H](O)CCl 1792975223 MNHZASAWOUSYCW-BHUQQCALSA-N 427.929 -0.033 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc(Cl)cn1 1794540526 LTHCXFYOGXWNOR-QHBPRCKVSA-N 445.867 -0.355 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795734249 LCBSXPZPPKKSDQ-WOUAJJJCSA-N 448.350 -0.171 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)[C@@H]1SC(=N)NC1=O 1796874842 LHPONLKJPUNBDR-URXAQBOPSA-N 444.322 -0.579 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1796892354 XFAXJWLJUIYJSM-GPLRMVCLSA-N 431.497 -0.649 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nccn2c1 1797081574 UBQLYOMBGKRFJX-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CN)c1ccccc1)C2 1801013416 UJACPIDQQXJZFZ-NYUBLWNDSA-N 431.537 -0.309 50 20 IBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1803478727 CPJFUMVDIHQWMF-IFXJQAMLSA-N 439.476 -0.464 50 20 IBGD C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803671867 NQFMNOAIXXAZHT-AKCHCHLHSA-N 432.525 -0.028 50 20 IBGD COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367974 PALZTONSLDNZLR-LPHOPBHVSA-N 440.265 -0.563 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cccc(=O)n3O)CC2)C1 1809975008 NFJFMFMUBCYIFC-UHFFFAOYSA-N 439.277 -0.076 50 20 IBGD C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)n1cnnn1 1822854528 YCQJNCWMJSFFGX-LRDDRELGSA-N 438.257 -0.357 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832803196 IWEJNUSZYAHKGK-RHSMWYFYSA-N 445.860 -0.499 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CC3(O)CCC3)CC2)CC1)c1cccc(B(O)O)c1 1834801568 YITHCSROTIZXCA-UHFFFAOYSA-N 443.353 -0.143 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938114 MBVOIFPPEQDKNS-KKSFZXQISA-N 434.298 -0.750 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1cccc1C=O 1835951749 HFOCPCKQLAKEGG-ALKREAHSSA-N 427.885 -0.082 50 20 IBGD C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460551 HDGBXHBNICMKIG-VFNWGFHPSA-N 431.493 -0.033 50 20 IBGD CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840309712 FWJZCESDNQWDCU-BFSLETRISA-N 433.465 -0.695 50 20 IBGD O=C(c1cc(=O)nc2sccn12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011753 PABZLXXZROUBLP-UHFFFAOYSA-N 438.274 -0.433 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)n(C)c1=O 1843362534 ZWAKTGMIQMZYAD-GFCCVEGCSA-N 426.836 -0.829 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 744388088 JXRFZEPFEJSFFV-UHFFFAOYSA-N 442.501 -0.211 50 20 IBGD CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 753935456 LEMFEANLCCRIIZ-AWEZNQCLSA-N 448.432 -0.372 50 20 IBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNS(=O)(=O)N1CCOCC1 765118400 CKPLKDTUHZKBAB-UHFFFAOYSA-N 431.946 -0.345 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc(-n2ccnc2)nn1 766646873 DZRSSHMEBVWLEI-UHFFFAOYSA-N 434.460 -0.119 50 20 IBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)CBr)CC1 777833124 SCDRLXBVSNYFAH-SNVBAGLBSA-N 435.387 -0.267 50 20 IBGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 792851536 XSMOLLJWSJNBHN-CYBMUJFWSA-N 434.496 -0.245 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 798337769 ZDFWAQKNRHIYGE-UHFFFAOYSA-N 430.483 -0.415 50 20 IBGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814330024 IPEHHSCMRYUPIT-KGLIPLIRSA-N 435.510 -0.072 50 20 IBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814590778 SSUNOXUMHSWQLO-ZDUSSCGKSA-N 429.437 -0.475 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782045902 GDRVWACSVADUIH-NRFANRHFSA-N 441.444 -0.146 50 20 IBGD O=C(Cn1cnc2ccccc21)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783749232 IRUXIXZHGSXHGK-HSZRJFAPSA-N 448.288 -0.140 50 20 IBGD Cn1ncnc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805274816 DZEFIYRBBPAKLW-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1813265357 QYURORYJEVFSDU-VQIMIIECSA-N 440.265 -0.563 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831121223 CXPLHMZZNNYBHF-OAQYLSRUSA-N 432.282 -0.948 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837413171 QLCLWGNGRPRBMS-UWJYYQICSA-N 445.476 -0.552 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999813 ZWFQYGZMWGRTDH-UHFFFAOYSA-N 431.497 -0.793 50 20 IBGD COc1cc(C(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc(OC)c1OC 728176536 HEKFAVOZYSBAIC-CYBMUJFWSA-N 429.495 -0.066 50 20 IBGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 729276761 LMJFWCKBIAYQST-CYBMUJFWSA-N 446.551 -0.194 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 729277040 RXJVFFZGVYKZGM-CQSZACIVSA-N 440.522 -0.221 50 20 IBGD O=C(NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)N1CCCC1 746185144 HSVPOKRZSXXDHS-OAHLLOKOSA-N 428.449 -0.694 50 20 IBGD NS(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 747337932 WZXJLMLGBWLXKA-UHFFFAOYSA-N 427.464 -0.593 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 758035226 KHCWKGTZUULWKT-NSHDSACASA-N 447.477 -0.461 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)Cn3ccc4ccccc43)cnc2n(C)c1=O 764239062 CMJNHIWJFIIQIW-UHFFFAOYSA-N 449.427 -0.627 50 20 IBGD CCNC(=O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 780854635 DCBWPPKVQDKLOY-UHFFFAOYSA-N 426.495 -0.686 50 20 IBGD Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 782284969 HQMLJPUKODEZMC-MRXNPFEDSA-N 431.401 -0.217 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 914458414 SSPZERLADLNMHM-UHFFFAOYSA-N 446.485 -0.044 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1783934265 BTPDJYFYYRAWOT-JOCHJYFZSA-N 443.504 -0.002 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1783934933 MUBGKSOEPFZTHT-FQEVSTJZSA-N 432.481 -0.777 50 20 IBGD O=C([C@H](O)CCl)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784912391 LUCNCXWYEZLSLN-QEYWKRMJSA-N 434.770 -0.079 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787520939 YNHLWJFQIKFCAZ-IWCQGFGOSA-N 425.530 -0.794 50 20 IBGD CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791306548 MQGHCNYSGZSNDG-DKIMLUQUSA-N 436.339 -0.926 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cnc[nH]3)[C@H]2C1 1791504285 MKUAUMBGVXQGBI-DQCADHONSA-N 439.476 -0.285 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1 1792695332 MQOAALSDYRNQPL-XRGAULLZSA-N 430.910 -0.107 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1 1792975323 QOLYAQQPDWJTCS-XRGAULLZSA-N 430.910 -0.107 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@](C)(Cl)CCl)C3)CC1 1797305992 FLIOQJKWSVOYTL-LORHWOILSA-N 449.379 -0.024 50 20 IBGD O=C(CS[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797791645 OGLWFNPSZHLRMJ-WOUAJJJCSA-N 448.350 -0.171 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799344226 COGPYOPPIZHQGC-ZIQFBCGOSA-N 444.323 -0.406 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373342 CDFIMXHQCXQGBT-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1813073258 OEAWMJWNQJJSIF-UZLBHIALSA-N 428.497 -0.248 50 20 IBGD CC[C@@H](C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797759 CGTYWSYUWIUMJX-IERDGZPVSA-N 445.369 -0.041 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1)c1ccc(B(O)O)cc1 1834797781 FJLNUMJRDLHGON-UHFFFAOYSA-N 429.326 -0.678 50 20 IBGD O=C(Cc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935718 NRMLACZWROTJLL-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839215512 WOMXGVLDAKXYTC-NORZTCDRSA-N 436.278 -0.246 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839623141 OWLQDAKDOLDTLC-FZKQIMNGSA-N 441.847 -0.462 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16232949 HTVNXGQJVYADRQ-UHFFFAOYSA-N 430.421 -0.941 50 20 IBGD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NNC(=O)CNC(=O)c2ccco2)C1 728952412 XEQCGTYKELFYLV-CYBMUJFWSA-N 437.453 -0.516 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 730822176 VYIPPVPQBPGNPZ-UHFFFAOYSA-N 429.275 -0.198 50 20 IBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 732475186 XEMLDXMSMQEVKT-MRXNPFEDSA-N 438.554 -0.339 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 746292070 KQBGZVKVKFZMEL-UHFFFAOYSA-N 447.539 -0.885 50 20 IBGD CCOCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 757775419 HAZQKKFCYOFYKA-UHFFFAOYSA-N 429.499 -0.037 50 20 IBGD O=C(NCCCN1CCN(c2ccncc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758737358 LVHMUXHJBKUSHD-UHFFFAOYSA-N 426.481 -0.042 50 20 IBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530829 IKNPLAXRPSLNIP-UHFFFAOYSA-N 440.504 -0.008 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)[C@H](C)O)cc1 779547519 WAVODSTZRTUGSP-SWLSCSKDSA-N 444.510 -0.305 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 825549450 OQMAKYMKBOJJGM-UHFFFAOYSA-N 429.437 -0.908 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779034030 JDLARTIEBXXAIX-YCRPNKLZSA-N 441.492 -0.105 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779104328 ITHSJVFJTDPUBJ-UZWDYZERSA-N 445.281 -0.661 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371190 PIAWXXSRXRWMSG-FOIQADDNSA-N 442.480 -0.745 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092635 OKKQFJWCBRRUCG-QXKUPLGCSA-N 434.873 -0.939 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1791293989 VXRQNNWUUCQIMK-XIRDDKMYSA-N 448.524 -0.368 50 20 IBGD Cc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732969 SYTOCFBBVOHBDW-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(C)(C)C 1795733026 YPTJBPMFBAPKAJ-NBMJBFSESA-N 445.325 -0.880 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2)c1ccc(B(O)O)cc1 1795734271 AFBPAHAKJSPSQA-ZSBFGKGUSA-N 435.249 -0.845 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cccnc3n1)C2)c1cccc(B(O)O)c1 1795738890 JLBGBGOUFVWPKV-XEMDLRDOSA-N 446.272 -0.173 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800640145 WJCWKFNTDKHFRM-XRGAULLZSA-N 439.115 -0.257 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800644491 WFIBCAIEERMKJG-AZKPJATDSA-N 428.283 -0.326 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829717533 USTLJRBPKWQPEW-CRAIPNDOSA-N 435.974 -0.255 50 20 IBGD O=C(CN1CCOC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831020225 QURYCXZVRMTXTO-WFASDCNBSA-N 438.250 -0.415 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc(O)no1 1835975222 CEHUJWLGOCTFAF-UHFFFAOYSA-N 442.281 -0.441 50 20 IBGD Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cnn2c1 1836945053 YSUDWFWIOMAZLJ-HNAYVOBHSA-N 437.884 -0.293 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837384888 KYVNAGFDUZTFHH-BZNIZROVSA-N 425.313 -0.046 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670456 JCXDQXOHQIHCGO-FZKQIMNGSA-N 444.872 -0.729 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839967476 NOHZARVRXJEOJM-LRDDRELGSA-N 436.303 -0.028 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840035430 RGSIPSHOQQLFST-SUMWQHHRSA-N 443.298 -0.517 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840151035 VHBVVNWDJSIMSI-KUHUBIRLSA-N 427.885 -0.291 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1)NC(=O)NCc1ccccc1 1843189716 MXKVSIMZCWJWFG-UHFFFAOYSA-N 426.481 -0.032 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)ccc1OC 732260268 BXWCHXUBUHTBGC-CHWSQXEVSA-N 428.511 -0.136 50 20 IBGD CN(C)C(=O)NNC(=O)C[C@]1(C(=O)NNC(=O)N(C)C)CCN(C(=O)OC(C)(C)C)C1 746184611 LADVURPFKWLDJJ-GOSISDBHSA-N 443.505 -0.392 50 20 IBGD O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)NNC(=O)[C@H]1COc2ccccc2O1 748486946 UHWMZDUHKZGPRF-OAHLLOKOSA-N 432.345 -0.713 50 20 IBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 763570204 DAWSHLYLLIEBJP-MRXNPFEDSA-N 448.457 -0.123 50 20 IBGD COc1ccccc1OCCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765726087 XSKLQRUAVNLCNS-UHFFFAOYSA-N 430.421 -0.941 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 800623103 GHSMHYQOPJSTBZ-ZETCQYMHSA-N 444.363 -0.210 50 20 IBGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 811678452 AWMCKAVFHUWEQM-LLVKDONJSA-N 429.476 -0.942 50 20 IBGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814538045 XWGMRONMQLOMBE-CYBMUJFWSA-N 429.437 -0.014 50 20 IBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 815778855 IIPCCSHFLIJGRZ-GFCCVEGCSA-N 442.270 -0.054 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029255 PVKOTLVCDHYQQU-OAQYLSRUSA-N 446.508 -0.709 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1779031548 AZKACYQHEJOSKW-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979547 WTBHXPIQOOZOAU-ZVZYQTTQSA-N 425.250 -0.626 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787265666 DBQAQQSNLYAQJQ-JYJNAYRXSA-N 443.508 -0.304 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788006257 JQYSAVCBOPMKNR-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745413 PONYLIFDSVHZBC-FVCICTRLSA-N 428.210 -0.880 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801363266 MURMVPUWKJCUGM-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366251 XYQVMMJAIQJALX-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814561653 RTRMWNWIHNJAKD-OAHLLOKOSA-N 444.322 -0.619 50 20 IBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824182770 JTAQGAFHWFNVLH-ZIAGYGMSSA-N 437.888 -0.354 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833679262 SEVTWXXFEHKUTC-OAHLLOKOSA-N 443.932 -0.636 50 20 IBGD Cc1nscc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935282 MKQFXILQKNSKOV-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD O=C(/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)NC1CC1 1837254444 BWQYBINQYHSKGO-OEQZANGBSA-N 448.289 -0.032 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840150363 KAGZFUOXPRENLD-GRDNDAEWSA-N 440.946 -0.623 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 745991582 ZRDAULDRHQVEPN-LLVKDONJSA-N 431.492 -0.628 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)N2CCOCC2)c1 746520035 QLPXHHVRXKEJTR-UHFFFAOYSA-N 441.510 -0.480 50 20 IBGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 750277003 RLJOPUYXSFRKQN-CQSZACIVSA-N 425.515 -0.553 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nnc(C(F)F)s2)n(C)c1=O 756219676 KBCNXYJOGRLJGI-UHFFFAOYSA-N 429.369 -0.924 50 20 IBGD COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764213236 UYMOQEUHVHMMAD-HNNXBMFYSA-N 433.465 -0.498 50 20 IBGD COC[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)OC 781395157 VKVKBOARUWTUDC-CQSZACIVSA-N 430.483 -0.687 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783428761 XGNYISMCUGKCRF-QGZVFWFLSA-N 446.551 -0.146 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCC(=O)N3C)CC2)cc1 807092768 WJPWFBLCGBIHSX-MRXNPFEDSA-N 437.522 -0.930 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)o1 917901188 UKYZJQKGUZXBEX-UHFFFAOYSA-N 442.475 -0.214 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1779371246 WUCBFFJAPUACBA-WHSLLNHNSA-N 444.492 -0.909 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782572461 XDHMMNJDGRLOSY-HXUWFJFHSA-N 447.471 -0.315 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc[nH]1)c1cccc(B(O)O)c1 1794306539 OIJHKCRHJVPJIT-BCDXTJNWSA-N 438.293 -0.234 50 20 IBGD Cn1cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)ccc2n1 1795740579 ISLQQHUQQADZLY-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1800979427 GNTBDAXIMMPMIH-ZWUHOBOKSA-N 442.856 -0.400 50 20 IBGD O=C(CCn1ccnn1)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826872105 ZURJBLKFUQXYBL-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736221 RVUUKEMDYFQYJV-KSSFIOAISA-N 428.873 -0.829 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836767475 LTMZMDAMOPFTKC-FXAWDEMLSA-N 444.960 -0.376 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277195 FXAMASLDSDITKQ-MEDUHNTESA-N 445.318 -0.441 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184096 RJYVXEZYNJRSHY-ZAAXVRCTSA-N 427.546 -0.811 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 728179784 KMMOEGCBLJYIAE-AWEZNQCLSA-N 432.524 -0.584 50 20 IBGD CCSc1ccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 752128041 WUKIPCDWYTYRPL-UHFFFAOYSA-N 430.490 -0.064 50 20 IBGD C[C@@]1(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC(=O)N1 753378966 MSFGYHHVEQTJSQ-IBGZPJMESA-N 438.506 -0.083 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2OC)c2ccccc2O1 763647823 QVOTZASUZYJCQQ-KRWDZBQOSA-N 442.428 -0.238 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 764344757 IVTWXDFQSMWTAO-UHFFFAOYSA-N 427.465 -0.082 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=S)NCCNS(C)(=O)=O)CC2)cc1 764519678 WBYQSLGANIAEAN-UHFFFAOYSA-N 442.611 -0.843 50 20 IBGD COc1nn(C)cc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 789585762 DKCBSSFFZSRKMX-UHFFFAOYSA-N 438.466 -0.856 50 20 IBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1OC 790045805 SJMBRKGLWVJWGQ-MRVPVSSYSA-N 440.883 -0.121 50 20 IBGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)n1 793219959 IOOUSHWHSWTVMS-GASCZTMLSA-N 440.526 -0.284 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817054872 BVIYNPQKEAMLEC-LLVKDONJSA-N 430.512 -0.520 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 914110057 ZUYYVALCLMGRBC-UHFFFAOYSA-N 427.417 -0.129 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247467 CEBYVQJJUUJULW-XSLAGTTESA-N 444.960 -0.616 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1791058165 SASKMAUPVOSDOE-RHYQMDGZSA-N 442.247 -0.526 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)c1cccc(B(O)O)c1 1795736718 COFONIKWUSYYDZ-FVCICTRLSA-N 429.194 -0.615 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)c1)C2)c1cccc(B(O)O)c1 1795737492 NNMSHFPWMJFPAS-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(Br)CC1)C2)c1cccc(B(O)O)c1 1795739752 JHMZZVUCBPDRBO-AGGWBTHJSA-N 437.099 -0.503 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cncn2c1 1797529348 RDBJDVDAMOLNFD-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048741 GARHNSXZPRINNY-DYVFJYSZSA-N 449.346 -0.113 50 20 IBGD O=C(Cc1cccs1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836086215 BTIYZPIBRDUMEQ-NRFANRHFSA-N 444.318 -0.259 50 20 IBGD O=C(c1cc2n(n1)CCCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836974195 PUPXDZHGAWLVMU-QFBILLFUSA-N 426.901 -0.111 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1837718161 YODFTVVSHYOLBR-SFHVURJKSA-N 425.562 -0.024 50 20 IBGD CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840149615 VTRIEWHQPVEVCO-BDJLRTHQSA-N 433.918 -0.096 50 20 IBGD COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CCC1 1840618424 GQXXJPILQIGDPE-NRFANRHFSA-N 440.541 -0.225 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843325391 VYXVWYRGWKJITM-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1[N+](=O)[O-] 16786236 CCDKWYCEDIPLEM-LLVKDONJSA-N 435.418 -0.355 50 20 IBGD CC(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 726098262 ZFGBGXQDTMMWGP-UHFFFAOYSA-N 440.522 -0.039 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CN(C)CCN2C)c1 732475170 WQZKFVCSVCBEQP-INIZCTEOSA-N 440.570 -0.093 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)CC1 748848459 JRSPXZYACMEWHM-AWEZNQCLSA-N 447.521 -0.158 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 764203920 MJDUHGPRFCKGOA-UHFFFAOYSA-N 425.511 -0.101 50 20 IBGD CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765727126 JNOCYIUUBHEHAH-MJBXVCDLSA-N 434.497 -0.045 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1C 794583973 HOPVGFILWJFQQU-UHFFFAOYSA-N 446.532 -0.296 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816887380 YIYGDTMUWVURRN-ZIAGYGMSSA-N 449.512 -0.106 50 20 IBGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc2)[nH]1 1117679603 XEIGWUOBASXSMM-INIZCTEOSA-N 436.490 -0.013 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778555714 DLTDZZPHXVJWSZ-FQEVSTJZSA-N 434.497 -0.518 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111069 DPTBEEBRAHFJCA-QFBILLFUSA-N 428.961 -0.150 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325276 AWMYUIFYKFMWPT-HOCLYGCPSA-N 432.246 -0.178 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784084155 MGNZJPDYPWNNDA-YTFOTSKYSA-N 449.932 -0.549 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982196 QUSIEXRXERIQDI-FFGOWVMKSA-N 445.325 -0.736 50 20 IBGD O=C(Cc1ccccc1O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790900435 LEXNIVNZZXTVPW-CUWPLCDZSA-N 438.289 -0.092 50 20 IBGD O=C(CCN1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795292531 VGWAQJDJZTXRPF-RMFSNUHRSA-N 429.326 -0.554 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1813072128 ANUPXRGCMZCELS-FOIQADDNSA-N 441.492 -0.143 50 20 IBGD CC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799358 AZVWBGYDNFFNLO-JTQLQIEISA-N 431.478 -0.497 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1830046717 IELVZEJVLUQQOV-IAGOWNOFSA-N 439.340 -0.050 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830539481 HKTVGSCWDUUVKI-BZNIZROVSA-N 431.287 -0.650 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839047221 DZGYMXLGLNXTII-HNAYVOBHSA-N 437.884 -0.672 50 20 IBGD CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840183910 HRKPYAYLZQTXCK-FQEVSTJZSA-N 427.546 -0.796 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1843585567 ZDTPPDQNJRHWTR-UHFFFAOYSA-N 440.221 -0.191 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 731761650 XESAEVZKLRCQOP-UHFFFAOYSA-N 428.511 -0.087 50 20 IBGD C[C@@H]1CCC2=S=C(C(=O)NNC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)C=C2C1 741144330 QKFCFDNXWAFPFW-SECBINFHSA-N 440.503 -0.358 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)c1ccnc(C(=O)NNC(=O)Cc2ccncc2)c1 747428746 VDZUUQWJNMLBAP-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)=NN1c1ccc(F)cc1 764343684 QGHJXSPJNNJIIA-OAHLLOKOSA-N 427.396 -0.782 50 20 IBGD Cc1oc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1S(N)(=O)=O 765737104 WEPMUWMBTZRVLS-UHFFFAOYSA-N 449.489 -0.546 50 20 IBGD Cc1nc(C)c(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(O)n1 766635889 IISKOWAWGNUUJI-UHFFFAOYSA-N 426.477 -0.053 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(-c2cccs2)[nH]n1 768262641 LAMYTWCOIGCWDP-MNOVXSKESA-N 437.503 -0.065 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1 799983486 GFENDLUTYZGCSF-LSDHHAIUSA-N 441.510 -0.039 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 873768344 ZWZDVFQBIZQFFA-IYVPYFHTSA-N 446.485 -0.495 50 20 IBGD Cn1nc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2c1=O 933190136 JAAQFLDNVKTBPY-INIZCTEOSA-N 433.428 -0.185 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cnc[nH]2)C1 1777992969 HNFNEISFZSNUPY-DYESRHJHSA-N 441.492 -0.222 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783355066 IKYXJXGLMYITSE-YVEFUNNKSA-N 428.283 -0.085 50 20 IBGD COC(=O)CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784046201 ZCFAMMOTKLMGNT-QFIPXVFZSA-N 446.309 -0.067 50 20 IBGD O=C1CN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)C(=O)N1 1789922357 KWNLTGQYCUKORY-YVNDNENWSA-N 435.250 -0.792 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1793571942 WIXAEBPOXWCOPV-HGKCTWBKSA-N 425.250 -0.713 50 20 IBGD C[C@@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1795611319 NZWFZEYGGJREQD-IHSNIMORSA-N 432.525 -0.155 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2)c1ccc(B(O)O)cc1 1795734651 XHAUJYQIYAFOKE-NPDDRXJXSA-N 449.316 -0.716 50 20 IBGD COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796685158 DDBSZQCNXAUIBS-ZSBFGKGUSA-N 429.238 -0.982 50 20 IBGD CN(C)c1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)o1 1797749755 OAAODBOZUVXUAG-DRXBFXEBSA-N 443.464 -0.744 50 20 IBGD Cc1nc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798315038 DOJNGRZGYTUUFG-CCWDJLKJSA-N 427.241 -0.274 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1798525850 MVGJFVWMIWTLIB-DPIQGUFMSA-N 449.420 -0.608 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799416890 SYBAJWRLCHERQO-CWPLJXCYSA-N 426.282 -0.848 50 20 IBGD CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354474 DQODDCKKFHIIQU-LBPRGKRZSA-N 437.308 -0.907 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826822995 VMSATNPUNFJJNH-DLBZAZTESA-N 438.573 -0.428 50 20 IBGD C[C@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1827054379 BCLLMKRXTCMSKI-BEFAXECRSA-N 440.313 -0.153 50 20 IBGD COC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060559 QDLIJSJDEJLXGG-GOSISDBHSA-N 431.298 -0.044 50 20 IBGD C[C@]1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CCCN1 1834798438 VVFZXYSKCJRDQS-HSZRJFAPSA-N 442.369 -0.306 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834798619 RLCMLWWWNZLCCY-UHFFFAOYSA-N 439.325 -0.483 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258769 WQGUTPLDHZFDEM-SWLSCSKDSA-N 441.344 -0.339 50 20 IBGD CC(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836750968 ZMPIDBDFJLJSEZ-FQEVSTJZSA-N 432.326 -0.005 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1837919177 NANQWRBNPUWIJH-UHFFFAOYSA-N 442.281 -0.279 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840185852 UBUQSOXZDHALPT-IBGZPJMESA-N 444.605 -0.333 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)no1 1843011161 XOJCAOCVXZTBBZ-UHFFFAOYSA-N 426.238 -0.491 50 20 IBGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 726241063 ABRDPZVPENHSHQ-NSHDSACASA-N 433.425 -0.071 50 20 IBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=S)NCCNS(C)(=O)=O)CC1 734767252 VZWBAEKXQJRYIY-UHFFFAOYSA-N 438.576 -0.387 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 755051994 JYHQQGPEOQQZRX-LLVKDONJSA-N 425.467 -0.045 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1 764226234 GRBYOPDWBFEGBN-CYBMUJFWSA-N 449.489 -0.273 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)c1=O 784003444 FYJBDGOSFMJNMF-UHFFFAOYSA-N 443.445 -0.852 50 20 IBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 816886050 NXUJGEDNUDTTJX-ZDUSSCGKSA-N 436.494 -0.465 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779076787 QAWGGTFBBJMAKG-MPGHIAIKSA-N 434.873 -0.435 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnsn1)C2 1779370999 DUMCWBQRWDEIAT-DNVCBOLYSA-N 445.505 -0.022 50 20 IBGD Cn1nncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371057 LRBASSLUJFNJMS-OXQOHEQNSA-N 442.480 -0.745 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781343356 YEPKJYXSAOHEMH-QGZVFWFLSA-N 437.099 -0.263 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnn1)C2 1782214477 RMLFLPZEMUBWNO-IIBYNOLFSA-N 448.524 -0.258 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(C)C 1786984257 VVFKMGCPQBVLOR-FRYIKTPZSA-N 446.309 -0.453 50 20 IBGD NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799348516 JJGCACLAEKXHGQ-JXVAYASWSA-N 430.234 -0.531 50 20 IBGD O=C(Cn1ccnc1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339740 NSNDPZODZMBTDW-CQSZACIVSA-N 425.279 -0.055 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCC(=O)N2)n[nH]1 1816967788 PZOPTHHFGJNBJD-DZGCQCFKSA-N 440.464 -0.007 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821474540 QISAIRKXBSPAFX-SNVBAGLBSA-N 433.494 -0.175 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1831646499 MCSZAVCUITUQFH-CJNGLKHVSA-N 441.849 -0.425 50 20 IBGD CC[C@@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833498341 XIQHAIWPOATXGM-IERDGZPVSA-N 445.369 -0.041 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404657 JWWKXSSNAFRNPR-XLIONFOSSA-N 446.976 -0.666 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841826618 QNEHPAPUAMTGGK-UHFFFAOYSA-N 432.135 -0.461 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2)NC(=O)NCc1ccccc1 1845038826 XXOFJJLOYOOYGC-UHFFFAOYSA-N 430.513 -0.981 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CCCS3(=O)=O)cc2)CC1 728216162 UAZOWPPNDAECGD-UHFFFAOYSA-N 431.540 -0.899 50 20 IBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)ccc21 735686960 IZFVTFHGRBHCKX-GASCZTMLSA-N 445.520 -0.028 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 737064003 AXNZFEJTKFSQFH-UHFFFAOYSA-N 429.481 -0.473 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 755515287 LOYKBUVSHYTDFK-JTQLQIEISA-N 435.528 -0.146 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)c(O)c1 761070500 ANNVIZUXOMBGRS-ZCFIWIBFSA-N 427.220 -0.305 50 20 IBGD Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)C(=O)N1CCCC1 762176685 AVSOXFCBNHPINT-UHFFFAOYSA-N 439.538 -0.392 50 20 IBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2O1 763570905 GWLRLCKBJMUTSM-DLBZAZTESA-N 441.396 -0.059 50 20 IBGD CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CO 764422097 PVTXHERAXHRELB-UHFFFAOYSA-N 427.483 -0.995 50 20 IBGD C[C@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730353 JRVNNPUCUATTEJ-LLVKDONJSA-N 444.423 -0.371 50 20 IBGD Cc1nn(C)c2sc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 765730770 NRWWRDWVAFLRHT-UHFFFAOYSA-N 430.450 -0.848 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Cc3ccc(F)cc3)CC2)n(C)c1=O 783676214 PWWWTHDDMKAPBV-UHFFFAOYSA-N 428.424 -0.257 50 20 IBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)NC(=O)N1 816830530 JWIDZHNGPORCOS-NSHDSACASA-N 437.459 -0.092 50 20 IBGD O=C(NCCCn1ccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915880603 RBKOXRYWYPRLLC-UHFFFAOYSA-N 436.494 -0.062 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C(=O)C1=O 916099938 YNVSUXNWRASXHK-UHFFFAOYSA-N 430.509 -0.963 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 1780097079 PBVNOKJJDPQLGO-HNAYVOBHSA-N 435.437 -0.750 50 20 IBGD O=C(C[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784959349 RJRQNTJRKWKPQD-RNQOJCNYSA-N 430.310 -0.081 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccn2nccc2c1 1788444500 FXHQEKGHESSMCI-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccncc1O 1788823090 ACBZHMICGNBVMQ-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2C=CS[C@@H]21 1800250045 DCYPBNAITUGKFA-XTLZNBHUSA-N 429.502 -0.237 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366238 XYQVMMJAIQJALX-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369235 CORYJINBLXFJEW-NQIIRXRSSA-N 433.277 -0.022 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CS(C)(=O)=O)n[nH]1 1817059705 UISGPIRHNZUWJO-CYBMUJFWSA-N 428.515 -0.181 50 20 IBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1822895029 YULOPQASROHRJY-UWVGGRQHSA-N 431.478 -0.498 50 20 IBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1834824151 SZSXNNQLSDHMPI-MRXNPFEDSA-N 429.271 -0.375 50 20 IBGD CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1 1838829660 JOPHLSDDYZMZIM-KBXCAEBGSA-N 428.873 -0.455 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840031541 TYOURAKSDNDEAU-BDJLRTHQSA-N 431.287 -0.021 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840185164 MCGWIPWQIYNQQB-OAQYLSRUSA-N 433.509 -0.547 50 20 IBGD Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185544 OWVNZZBEZNAOIX-FQEVSTJZSA-N 434.497 -0.772 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)C1 1844196802 MCXCSSFHCYCEJP-OAQYLSRUSA-N 435.245 -0.082 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)nc1 731762033 XKWMXILTYTVSPU-UHFFFAOYSA-N 441.558 -0.053 50 20 IBGD CCCCn1nc(C(=O)NNC(=O)NCCN2C(=O)CNC2=O)c2ccccc2c1=O 733658393 WHXDDXPBKKVSNO-UHFFFAOYSA-N 429.437 -0.308 50 20 IBGD COc1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 747613453 KCEMWZTVBPGMNB-SSDOTTSWSA-N 430.302 -0.295 50 20 IBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)cc(OC)c1OC 748241269 RPNXVBVHANYLFW-LBPRGKRZSA-N 434.449 -0.165 50 20 IBGD O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)NNC(=O)[C@@H]1COc2ccccc2O1 748486944 UHWMZDUHKZGPRF-HNNXBMFYSA-N 432.345 -0.713 50 20 IBGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 749403815 OYNYCEIRSPFLDS-UHFFFAOYSA-N 441.491 -0.533 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cc2)CCN1 764366342 ADOKNGRWPFYXAY-UHFFFAOYSA-N 425.445 -0.075 50 20 IBGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764431193 ADJCDVAECJKVDC-HNNXBMFYSA-N 442.494 -0.488 50 20 IBGD Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)n1 784003801 BAYZRKWTZMWNRX-UHFFFAOYSA-N 425.405 -0.007 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC 787609838 AWLMVFDKCYHVMK-UHFFFAOYSA-N 437.430 -0.031 50 20 IBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 792028937 RGSAOXLILILEJD-XPTSAGLGSA-N 425.385 -0.800 50 20 IBGD Cc1cccc(C(=O)NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)n1 797370199 HZEZCWJWDFVLFC-UHFFFAOYSA-N 431.474 -0.009 50 20 IBGD CO[C@H](C)CS(=O)(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 800838978 QKIBZCBWGHCOQV-OAHLLOKOSA-N 448.567 -0.713 50 20 IBGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCC3 1337771212 VPQRBTMISDLQSI-VIFPVBQESA-N 425.492 -0.156 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1781270743 UXPZSAXVAXVJBQ-OAQYLSRUSA-N 445.476 -0.362 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788573593 ZUHYNOKLOPMXMT-DSLXNQLJSA-N 430.310 -0.467 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nn1C 1789066469 HOBKIXUZGQSMGJ-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1790718864 XPUMFWIKQPRBLM-SZMVWBNQSA-N 444.293 -0.697 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1SC(=N)NC1=O 1796189277 SHEVSFIOTJPSEX-YDVLKRNPSA-N 444.322 -0.579 50 20 IBGD CCc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798174950 KPQVMXZQDDYLAP-CCWDJLKJSA-N 427.266 -0.258 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800640082 UIRRRYIBIBTSPE-XRGAULLZSA-N 439.115 -0.257 50 20 IBGD COCCOCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366211 XQZNTUFQRNMCSW-WIYYLYMNSA-N 441.293 -0.256 50 20 IBGD Cc1nnc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)o1 1815488121 XPPOOPJWHOGSPZ-ZDUSSCGKSA-N 441.278 -0.017 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815777896 KBSYGXJXTSNOKR-SNVBAGLBSA-N 441.477 -0.341 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470048 GXGSYHBMEIMLHI-MRXNPFEDSA-N 442.285 -0.333 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824676643 ATEWZMHBSMXTTR-DTWKUNHWSA-N 432.886 -0.148 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829717536 USTLJRBPKWQPEW-YJBOKZPZSA-N 435.974 -0.255 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1835926718 ZXTYSLHDLOEUCI-WOIUINJBSA-N 428.294 -0.518 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840154331 SUKMHUUMIVRBIZ-HLIPFELVSA-N 446.976 -0.668 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187044 TVPJXQDBSCOWKJ-QGZVFWFLSA-N 434.276 -0.438 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cnc2c1 1843786889 LHBMVFQHJYQNED-UHFFFAOYSA-N 446.272 -0.186 50 20 IBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 729258479 XZWFONQJZRNRNO-MRXNPFEDSA-N 447.459 -0.017 50 20 IBGD Cn1nc(C(=O)NNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)c2ccccc2c1=O 756762483 UDERHOXJNSIPJA-UHFFFAOYSA-N 433.450 -0.359 50 20 IBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 764230447 IJRJRNBTDNCKQN-VIFPVBQESA-N 436.874 -0.611 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(F)c1I 764434908 SLDHXUWJSGCFMS-VIFPVBQESA-N 437.165 -0.068 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCn3ccnc3)CC2)cc1 766637138 YITUOLTYVKNMOA-UHFFFAOYSA-N 434.522 -0.264 50 20 IBGD CN(NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(N)=O 770532150 FYFLESBMDUAHQT-UHFFFAOYSA-N 431.902 -0.005 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 785662439 XXVSBLVVOLPYPQ-QGZVFWFLSA-N 432.477 -0.520 50 20 IBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc(C3CC3)nc21 917940878 HFEGDCJTEGLBHT-JTQLQIEISA-N 435.462 -0.410 50 20 IBGD Cn1c(=O)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2ccccc21 1777886376 BMRWWRVBFCLPQL-MGPUTAFESA-N 434.880 -0.023 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034883 WFPNHEJKXSAAJA-OAQYLSRUSA-N 440.460 -0.650 50 20 IBGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)Br)CCO3)c(=O)nc1O 1785352859 FFWGLWWBFPHRDZ-SJCJKPOMSA-N 443.298 -0.129 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)no1 1788986505 KQKDGDDFYHRYCB-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(O)cn3)[C@H]2C1 1791710490 ZVAZQLBHSSEDML-WBAXXEDZSA-N 433.509 -0.318 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792871243 RYAYDVKMQXBBEF-MQFWEAQZSA-N 434.331 -0.242 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N 1795537980 IEZBIHABDJHRJJ-XSDCOXNMSA-N 432.431 -0.056 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799275083 MTSUENMWTUHXPL-ZFHGCVPZSA-N 429.109 -0.194 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799937362 AMTDPRQDKISQFD-ZSBFGKGUSA-N 434.497 -0.758 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1807371059 OYUCZQRKGQHQDI-POAQFYNOSA-N 436.277 -0.640 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815667048 ORYQPBDSNLRFQB-CYBMUJFWSA-N 448.484 -0.673 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826935534 BRMUSKMSERJSAB-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830046614 FPRBXRHUAGUSRQ-IUODEOHRSA-N 439.282 -0.596 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)CCO2 1830495036 HVAVLNVAHGKEOR-KNKQGSTJSA-N 428.294 -0.518 50 20 IBGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1 1830732033 PKUSKFZUAQTVJT-KSSFIOAISA-N 428.873 -0.455 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccon1 1834300963 LLNJMMBNUQBNNP-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD Cn1cc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834797292 BTKIXPYJYFEQSH-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937073 NOEZIPXKILTWTF-OAQYLSRUSA-N 445.256 -0.772 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837525725 OODKWUSIKMEDON-FZTBZWDOSA-N 433.889 -0.429 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839866500 CQUPTOHDNVONBK-PBFPGSCMSA-N 432.315 -0.390 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840263570 JRDVTLKMMRIEOJ-HOCLYGCPSA-N 448.245 -0.942 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840577283 PUPBHCNCXLETSL-OXJNMPFZSA-N 449.533 -0.349 50 20 IBGD COCCN(C)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727033205 NRHFTVFUNJZKSN-UHFFFAOYSA-N 427.527 -0.007 50 20 IBGD Cc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C 737765244 CIKQNDRWNVAAJK-UHFFFAOYSA-N 449.427 -0.738 50 20 IBGD Cn1c(CC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc2ccccc21 742474760 VGYNTFWFSUMOAQ-TWKYDXJASA-N 425.445 -0.184 50 20 IBGD CC(C)N1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1=O 750645351 MCXLCEGLXGGSPX-CQSZACIVSA-N 439.542 -0.347 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 755291983 LKFLTRQEWRZZBG-LLVKDONJSA-N 442.523 -0.329 50 20 IBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 761489430 WWZFUODVIMXPDJ-AWEZNQCLSA-N 441.510 -0.807 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 764401461 WXFFXAPOQJPLCR-CYBMUJFWSA-N 442.494 -0.392 50 20 IBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 772968877 IFJUWLPLGGMYLA-SECBINFHSA-N 444.853 -0.075 50 20 IBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 781957214 HOIVBCKLCBWVHW-OCCSQVGLSA-N 444.897 -0.766 50 20 IBGD CCc1nc(C(C)C)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 815827184 PDYPGUZKRAWQCZ-UHFFFAOYSA-N 427.465 -0.024 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1C 817053976 OCDXCAKTKOKFMK-UHFFFAOYSA-N 444.539 -0.209 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033644 AQPDKUWZHNLBER-SPLOXXLWSA-N 441.492 -0.105 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1782179247 ISTWYOVVJKDWCK-VEVIJQCQSA-N 433.889 -0.703 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986656 VSRJLLNQUUAKPH-HSCHXYMDSA-N 440.309 -0.274 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCC3)[C@H]2C1 1792311661 GSKWUSSITQKBAH-SNRMKQJTSA-N 444.536 -0.236 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734386 GBJOMEFFYOKAPR-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1798523077 QUIJAQYHQZETRT-DBWKPXFBSA-N 448.432 -0.011 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)N1CCN(C)CC1 1799182101 FMWAFJHFPJJLBN-PNBKFKSVSA-N 431.375 -0.003 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC(C)(C)C 1800674921 SEUMBADRJRBYOL-ZSBFGKGUSA-N 441.529 -0.526 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800759550 UZHLYFYATUZUGU-WNBCSMFUSA-N 449.298 -0.146 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H](O)CCl 1803138537 KKFNTUMJVDTYLF-SZMVWBNQSA-N 431.685 -0.319 50 20 IBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813267975 DZWHNNKYIKZTLP-BEFAXECRSA-N 434.497 -0.184 50 20 IBGD O=C1C[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCN1 1815348169 GWFBIZGGKSCWLS-TZMCWYRMSA-N 442.306 -0.425 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831516983 ANJKSVOOHAIRIF-QKYXUNIQSA-N 428.530 -0.777 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310696 YRUCZZKZMNLMTH-CZUORRHYSA-N 431.965 -0.135 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249762 BNCZCDULABLEPW-SWLSCSKDSA-N 441.344 -0.482 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1835929563 WGUQKPWSVXXOPA-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838394768 VFARSRAWVUAYDG-UHFFFAOYSA-N 449.508 -0.694 50 20 IBGD Cc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182798 VHGLLSBBTVPTHC-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840292483 SXTUEVQBWIFPLH-QFIPXVFZSA-N 428.294 -0.370 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840358915 DWMILQRRFKXOSS-CRFBAAHOSA-N 426.901 -0.429 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1843416990 LOPXJTBJEJRJEM-PCXKXAPESA-N 435.506 -0.099 50 20 IBGD 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IBGD Cc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749666 JFCXBRDNVQXGMB-FVCICTRLSA-N 428.449 -0.193 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799394460 HJVNZLKNWYLUIK-VWPFQQQWSA-N 432.481 -0.311 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C=CS[C@@H]12 1800250042 DCYPBNAITUGKFA-VDHDSHHXSA-N 429.502 -0.237 50 20 IBGD Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801442900 MWHMAUYWZHUDJN-FVCICTRLSA-N 440.460 -0.890 50 20 IBGD Cn1nncc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355037 LZMYLSAVUHONMZ-LBPRGKRZSA-N 426.267 -0.509 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CN1 1817476977 JKFVJWTZDSMWIN-XJKSGUPXSA-N 425.254 -0.469 50 20 IBGD CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CCC1=O 1833688478 QTGMPAULIJKSFJ-MRXNPFEDSA-N 427.933 -0.234 50 20 IBGD O=C(Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929318 KOGYXTBSTNQVMO-QHCPKHFHSA-N 438.289 -0.321 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535964 FZIPVOOJQXMAJI-BEFAXECRSA-N 427.885 -0.291 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839151969 JPWWWQTVMLSLKV-GJZGRUSLSA-N 431.338 -0.276 50 20 IBGD C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(F)(F)F 1839892597 WADCECGWDISKFI-SFHVURJKSA-N 442.199 -0.445 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840185543 RWMQYVHXYVSYAM-PZTGFMGMSA-N 438.525 -0.617 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2)cc1 731667010 MKYIWNCGZFAYAF-LSDHHAIUSA-N 443.547 -0.022 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C(=O)N1CCCC1 748247408 ZYFYZPJTFVOPSP-ZDUSSCGKSA-N 446.526 -0.005 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)co1 756002919 LNCPUTAQLGQFDC-UHFFFAOYSA-N 449.489 -0.593 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(Cl)cc3)cn2)CCN1 763684801 NQUDYEACQAGVNM-UHFFFAOYSA-N 446.851 -0.164 50 20 IBGD CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)cc21 763893451 VOZWPCVPPWQZGG-UHFFFAOYSA-N 425.449 -0.013 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c(F)cccc1Br 764225641 BOKQHVQIAVFHBZ-ZCFIWIBFSA-N 425.236 -0.388 50 20 IBGD CC[S@@](=O)c1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640580 UXJSJZMFPJXASL-SSEXGKCCSA-N 432.462 -0.978 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)C(C)(C)O)CC2=O)cc1 768256453 PYEMLVNUOFJEFE-CYBMUJFWSA-N 440.522 -0.012 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 771857388 WYKDJYSFBJQPCN-NEPJUHHUSA-N 430.483 -0.723 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 815751988 XHMTVINWVKHEJL-UHFFFAOYSA-N 430.450 -0.006 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1OC 917103302 GKVOJBTZHQCKEF-UHFFFAOYSA-N 442.476 -0.219 50 20 IBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1337715839 HUJKAULYTJGYEK-MUDIAHQHSA-N 432.524 -0.582 50 20 IBGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978812 YTDZWAAOMVFIGZ-QEJZJMRPSA-N 445.310 -0.833 50 20 IBGD Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1F 1786984683 YDYOEABTXHFSSA-XIRDDKMYSA-N 444.272 -0.545 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21)[C@@H](F)Br 1789925466 QHNCXPIPVDCIJT-USXUVBGUSA-N 432.246 -0.418 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1Cc2ccccc2N1 1790682115 QNZCJTDRDWIECV-UDDWMFPDSA-N 449.316 -0.004 50 20 IBGD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O)C2 1793286250 DJSLWMJFPNDJBA-DBWKPXFBSA-N 448.432 -0.141 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1noc2c1CCCC2 1796151239 JKPOYCRFZPMNTR-CCWDJLKJSA-N 439.277 -0.250 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n(C(F)F)n1 1798679891 COIHGFSUAOJFKD-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368172 ZNTLBHIZPWNUDI-WNYOCNMUSA-N 438.293 -0.394 50 20 IBGD CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339577 HWTOHGKVHSIPTP-GFCCVEGCSA-N 437.308 -0.907 50 20 IBGD O=C(CN1CCOCC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817147787 WASMNNAXGLILAD-SFHVURJKSA-N 441.297 -0.272 50 20 IBGD COC(OC)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833389053 YSINBGDKDCKPJK-UHFFFAOYSA-N 433.314 -0.830 50 20 IBGD C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930234 DHAYVGPQGZPIQV-ZWDAVXSWSA-N 430.310 -0.127 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1835935187 FTSATGZXWWINDO-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837595725 WCZUBUJTYMWNBS-IIBYNOLFSA-N 434.298 -0.750 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)ccn1 1837937879 WHLWDERPSXURLM-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840033739 OMTLNGWJVWEULK-BDJLRTHQSA-N 445.318 -0.441 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840149094 DPXNRCIXLXAIAV-FDVMBTMHSA-N 429.901 -0.445 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)[C@H](C)O)cc1 728178669 BHWZCHQHAAKSMW-LZWOXQAQSA-N 433.552 -0.485 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNC(=O)c1ccc(Br)cc1 729276898 NUEBGWHUGRKABZ-SECBINFHSA-N 435.300 -0.346 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 729511522 KVNRFMPQCMFVIZ-UHFFFAOYSA-N 430.442 -0.040 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(Cn2cc(Br)cn2)on1 751563338 RILZVTRTHCVXJU-MRVPVSSYSA-N 432.256 -0.122 50 20 IBGD CCn1nccc1C=NNC(=O)C[C@@H](C(=O)NN=Cc1ccnn1CC)N1CCOCC1 753709640 OJIGHXDVXNDODM-SFHVURJKSA-N 443.512 -0.189 50 20 IBGD COc1nn(C)c2nc(C)c(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c12 758041181 WXRBWCTWHAOGFA-NSHDSACASA-N 426.499 -0.389 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 764232155 RUDVOCFGSUMZOX-SNVBAGLBSA-N 447.901 -0.800 50 20 IBGD COC(=O)[C@H](C)Oc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764812369 JPSQWOGOJLVAOY-LBPRGKRZSA-N 442.432 -0.476 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cc(C)[nH]n3)c2)CC1 765586148 NCIYPHGSBGUWLF-UHFFFAOYSA-N 434.478 -0.354 50 20 IBGD Cc1occc1-c1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1 786217227 JLXRVQNPDXQYKK-UHFFFAOYSA-N 442.392 -0.157 50 20 IBGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 799240582 KDZBPNHPGXQSNO-BXUZGUMPSA-N 427.483 -0.305 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 800054839 JOOBAVDNMHFBPP-TZMCWYRMSA-N 432.524 -0.248 50 20 IBGD Cc1nsc(NC2CC2)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 815827348 VWKMNWDSKYQYAI-UHFFFAOYSA-N 432.466 -0.766 50 20 IBGD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 917727895 RIBGKGJAQYKMMW-UHFFFAOYSA-N 436.475 -0.002 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1318120348 FBNORDRUVYRQCP-HNNXBMFYSA-N 429.520 -0.887 50 20 IBGD Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779029336 VYCYMIFRFWWEGY-FQEVSTJZSA-N 425.449 -0.459 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)O)C2 1782214422 QKNDDCMXTVKYSR-AUUYWEPGSA-N 444.554 -0.309 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1783933416 YGKSIWNAKAUJNA-IBGZPJMESA-N 427.571 -0.762 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n[nH]1 1786979737 CIJRBTSIUKEUBW-FNHZYXHNSA-N 426.282 -0.441 50 20 IBGD C/C(=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C(=O)O 1788611349 VVZYKMXQFVSUJU-BKEQYABYSA-N 431.449 -0.691 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736905 NUCUJXHMBRQHGG-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797811102 HRDARVXQGPKSOA-NKFKEYGXSA-N 445.281 -0.901 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)n1 1797911282 QRMRJJAOLZSDAG-FQLMCAECSA-N 426.901 -0.524 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814226525 QUHOTFRBVNXBRR-SUMWQHHRSA-N 440.464 -0.932 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CCN1 1817475228 LRPXVICVFGCJBX-RHSMWYFYSA-N 439.281 -0.078 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831486954 HUEBSDZSUUUXHB-XLIONFOSSA-N 436.339 -0.609 50 20 IBGD O=C(C1=COCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933507 AWNOMLAQKXJEED-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD O=C(c1ccnc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934003 KABQMNHTPNXUFG-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837468066 YIRXRYDOEOGCNY-OAHLLOKOSA-N 427.354 -0.270 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033084 SMTKSUMBLLDOCH-MKBNYLNASA-N 435.319 -0.327 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840037278 XLCPHWQQFLDHHX-YWPYICTPSA-N 431.291 -0.526 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840153432 OJWNWDYLKBESOB-LIRRHRJNSA-N 442.900 -0.011 50 20 IBGD CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840184779 BGXXMLGTDKCTSP-UTKZUKDTSA-N 439.557 -0.842 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840184838 GBRYLUWQIZNIAZ-NRFANRHFSA-N 448.524 -0.761 50 20 IBGD CCCCn1c(N)c(N(CC)CC(=O)NNC(=O)Cc2nc(C)cs2)c(=O)[nH]c1=O 24956249 OGLIOBLFOPASOT-UHFFFAOYSA-N 437.526 -0.100 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 756834700 ITYMJGSTMCESOA-UHFFFAOYSA-N 432.437 -0.018 50 20 IBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763531895 SUWCACPBXSEZAR-UHFFFAOYSA-N 440.508 -0.159 50 20 IBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)CN1CCCS1(=O)=O 765756074 WKGZFKDMVLGSTM-UHFFFAOYSA-N 443.957 -0.360 50 20 IBGD COCCOCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636371 OBHMPIJWCRAPSS-UHFFFAOYSA-N 442.538 -0.498 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)[C@@H](C)C(=O)NNC(=O)Cn2nc(C)cc2C)n1 790121624 VVJPQYPGQRCZIO-HZPDHXFCSA-N 446.512 -0.420 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978467 CJVZDUCBTHQCRI-ZBFHGGJFSA-N 437.456 -0.193 50 20 IBGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 815569594 ZMRJLSDGRSHKHP-SNVBAGLBSA-N 444.466 -0.967 50 20 IBGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212321 BBCKZXPZJVPBBM-SMJHDNPOSA-N 430.508 -0.516 50 20 IBGD COCCCNC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 920862732 ZYLWJNULEVMKQM-ZDUSSCGKSA-N 440.478 -0.009 50 20 IBGD Cn1c(CC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc2ccccc21 1337326653 ADDGRQSULQRRQO-STQMWFEESA-N 433.490 -0.701 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029165 MEFIPCYNHUBODP-OXQOHEQNSA-N 432.481 -0.957 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1 1780356341 UKYXFRLGECYIEY-NRFANRHFSA-N 441.297 -0.530 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783355065 IKYXJXGLMYITSE-SJKOYZFVSA-N 428.283 -0.085 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783874571 IZDHHGOVPAOVJO-VQIMIIECSA-N 430.933 -0.766 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1783934349 FFKMKUTUXNVULM-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406133 KHPXHJOJHQVVSM-XQLPTFJDSA-N 434.331 -0.098 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786840350 BASDTHDCMCQFCM-RFGFWPKPSA-N 430.347 -0.163 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)n1 1788729796 VICXIZCLKHZXOQ-VGWMRTNUSA-N 440.928 -0.134 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(=O)nc2cccnn12 1789197999 UQKREBPTWOSUAI-VIRABCJISA-N 435.868 -0.718 50 20 IBGD O=C1CSc2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cc2N1 1792983705 MFZPSDSJGZRBLM-NDPMZMCLSA-N 440.909 -0.071 50 20 IBGD CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CC1 1795446644 JRIHEIWKQITBHA-OCVGTWLNSA-N 435.338 -0.096 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1F)C2 1797750951 WNWHLGAPOIMPIK-DPIQGUFMSA-N 428.424 -0.264 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798485590 KVKNKNIRKDYPDR-OPURECRCSA-N 446.508 -0.591 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1800640292 PIADEBXATWWVOV-UGCHFJIKSA-N 431.287 -0.652 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1801289418 UXXQDRVUTAYTSI-GWCDLVAZSA-N 441.916 -0.700 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1821956513 DYIYLYOSQWCVPO-CZUORRHYSA-N 425.254 -0.469 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834683648 DDOXRKQVGHZQLL-HRAATJIYSA-N 444.385 -0.075 50 20 IBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1838007877 VLWCRHPCGBXOOD-HXUWFJFHSA-N 437.497 -0.266 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840150068 FDTXLXHOPYWXAY-PBHICJAKSA-N 445.860 -0.499 50 20 IBGD CSCC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 15639475 NWAHVVSHAQGCHH-BXUZGUMPSA-N 439.515 -0.014 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 743291248 OSIJEBHQDWOYJQ-YRGRVCCFSA-N 444.558 -0.650 50 20 IBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 749335557 UJJJGAPWUAISFV-UHFFFAOYSA-N 449.489 -0.472 50 20 IBGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)c1 758032146 ZVUUDTPWZILAGH-GHMZBOCLSA-N 428.467 -0.858 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc(Cl)nc1 763023372 OGMDZGSUPSERTJ-VIFPVBQESA-N 425.854 -0.038 50 20 IBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 763919725 STWLPMGBLPKKEU-UHFFFAOYSA-N 444.419 -0.014 50 20 IBGD CO[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCOC1 764806009 ZKQXPZHFFAZBGK-GOSISDBHSA-N 442.494 -0.543 50 20 IBGD COc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C1CC1 768070900 JOBBPXHVTNPVAP-UHFFFAOYSA-N 426.433 -0.219 50 20 IBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 770208876 PIJJZCJDKBIFGJ-UHFFFAOYSA-N 440.507 -0.300 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc2c(c1)NC(=O)CO2 770788904 ZLJBEXSUNZHVCK-UHFFFAOYSA-N 438.444 -0.369 50 20 IBGD NC(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 898808321 LMWKTJFOQJXPGN-MRXNPFEDSA-N 428.401 -0.001 50 20 IBGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)n[nH]1 1780131985 ZSDYKVJPXFNYFX-WIYYLYMNSA-N 426.282 -0.161 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547340 XZTVPOHSUWAUCX-BZNIZROVSA-N 435.955 -0.070 50 20 IBGD CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2 1795460741 JBCUVZZIUBPJTF-CRWXNKLISA-N 446.932 -0.204 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796430508 YNAUQWURKWEZHE-DIURFFJMSA-N 432.930 -0.368 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797587224 FZTNNCBHKQTYHR-YXZBHFDYSA-N 426.239 -0.669 50 20 IBGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)n1 1807369883 XOFIYGWBEOTLCO-FUHWJXTLSA-N 434.265 -0.477 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)COCCO)[C@H]1c1cccnc1 1808616301 ZMSOOSPQBZRGNK-HNAYVOBHSA-N 442.476 -0.591 50 20 IBGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(F)c1 1830726065 SZNZZJSFZQMZFH-RDTXWAMCSA-N 431.848 -0.101 50 20 IBGD COCC1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834797777 DZWMNFBYYGUFNC-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840189928 UFDCKVDXLQPYLS-IAQYHMDHSA-N 429.322 -0.176 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840358916 DWMILQRRFKXOSS-NRXGSXMXSA-N 426.901 -0.429 50 20 IBGD NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1 728337956 CBCLBGJSBKCTDR-NSHDSACASA-N 441.443 -0.460 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 729276179 YNAVTNHUOCWEFV-GFCCVEGCSA-N 446.551 -0.681 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 742055227 MFEBWUIGVXVWKT-VHSXEESVSA-N 442.523 -0.421 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(N)cc2-n2nnnc2C)n1 745104756 NKRKBKQFKSNPCV-UHFFFAOYSA-N 430.450 -0.135 50 20 IBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)COc2ccc(Br)cc2)c1 748552710 JQKHUUHZFRGIEG-UHFFFAOYSA-N 432.256 -0.481 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@@](C)(O)C3CC3)CC2)cc1 756003738 UNGBIXNJQMUGSB-HXUWFJFHSA-N 438.550 0.000 50 20 IBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 763432780 JNVYQEZWXWZWQS-UHFFFAOYSA-N 437.519 -0.069 50 20 IBGD Cc1c(Cl)cccc1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765727801 NBPGYLDAOYREII-UHFFFAOYSA-N 434.840 -0.378 50 20 IBGD Cn1cc(-c2nn(C)cc2C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 781303482 NFSFEQDVHNTOIE-MRXNPFEDSA-N 440.416 -0.035 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1I 782967695 VQFCCRHRONIDER-UHFFFAOYSA-N 430.202 -0.036 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNc2nccn(C)c2=O)cc1OCC 810469519 MEYARUDEESXCDE-UHFFFAOYSA-N 425.467 -0.001 50 20 IBGD O=C(NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 814211005 YFLLYBDDKVATJA-LBPRGKRZSA-N 443.503 -0.552 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778857403 JEBOWASJCQCFMZ-YDGKCNFYSA-N 427.310 -0.850 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1779032477 LFAKLSXVRICBNL-OAQYLSRUSA-N 441.492 -0.262 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519414 AGTLUPYXFWSLCH-BPUTZDHNSA-N 446.508 -0.853 50 20 IBGD CN1CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1792606952 PHRUYGCESVEHDV-CWPLJXCYSA-N 444.536 -0.380 50 20 IBGD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800751222 LDCBHDZAEMOZST-RMRDIRSESA-N 433.509 -0.697 50 20 IBGD CN(C)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299850 UPSCDQQKVHHGOS-KXBFYZLASA-N 425.493 -0.039 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814226522 QUHOTFRBVNXBRR-DYVFJYSZSA-N 440.464 -0.932 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016222 CXLZIMQTJXGUPW-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1835116435 NTZMTAJMMDBYQG-YDZHTSKRSA-N 434.497 -0.997 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837486061 VSFJQABTDQNWMW-VCBZYWHSSA-N 441.916 -0.013 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837717870 PXGKBVRTGSKXRE-OALUTQOASA-N 446.573 -0.090 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1839917566 NXCUIIYLMYRMKW-VQIMIIECSA-N 435.949 -0.863 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840447317 BBTWGCKJAZGHEM-SFHVURJKSA-N 425.562 -0.024 50 20 IBGD Cc1cc2nnc(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)c(C)n2n1 1844264221 VFKUQGOFWSQQOO-UHFFFAOYSA-N 449.475 -0.130 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729274915 HETKNDISUKYWPI-ZDUSSCGKSA-N 448.567 -0.265 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)CN2CCOCC2)cc1 739048432 JOOWNRNDKKJQCT-MRXNPFEDSA-N 441.554 -0.086 50 20 IBGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cccc1C(=O)N1CCOCC1 756184396 DDBYKWKGYIRRNN-GFCCVEGCSA-N 427.483 -0.442 50 20 IBGD C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757981928 ZXXWXXTWBQRVEI-JTQLQIEISA-N 434.840 -0.298 50 20 IBGD Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 763875763 AMGCLNRSXGMKBB-QWRGUYRKSA-N 434.902 -0.335 50 20 IBGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764151970 BDFQCCYXDUOXTC-MRXNPFEDSA-N 448.457 -0.042 50 20 IBGD CCCNC(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765731924 SZGGLHBTJAWFHQ-UHFFFAOYSA-N 441.448 -0.965 50 20 IBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 767823170 REDLBURAJPEHTB-KFWWJZLASA-N 437.522 -0.128 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806979034 PZSAGKVISWBHGB-JKSUJKDBSA-N 437.456 -0.193 50 20 IBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2S1(=O)=O 807379671 AURUVLHKLRYTKD-UHFFFAOYSA-N 425.467 -0.921 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)C[C@H](C)O1 912918879 FYNXKDKNXNBUDM-RYUDHWBXSA-N 434.465 -0.110 50 20 IBGD Cc1nn(C)c2nc(Cl)c(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)cc12 920369919 BQAMAYKLCIZITK-UHFFFAOYSA-N 436.885 -0.035 50 20 IBGD Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c2ccccc21 1778162800 XNYHWMDREWGTBW-UZLBHIALSA-N 436.896 -0.230 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778358985 QMIMHUHFEQQGSM-QFBILLFUSA-N 430.933 -0.766 50 20 IBGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c(O)n1 1780272558 HKTLNKOAWMBCAJ-NRFANRHFSA-N 440.460 -0.149 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780771506 JAWYWZFCCXPIHK-RLSLPTNOSA-N 437.310 -0.216 50 20 IBGD CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784936943 ITNAVKBXDSFFDR-ULQDDVLXSA-N 425.530 -0.793 50 20 IBGD O=C(CCc1ccccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785431962 OYMQPGNORQJSJQ-YYWHXJBOSA-N 437.305 -0.013 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791624 OQJUMGFRJWDPPV-IHRRRGAJSA-N 437.506 -0.458 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609719 CRVPAICNORAHDF-DDWPSWQVSA-N 439.900 -0.468 50 20 IBGD Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)nc2s1 1793660515 POBYKDDFIAJYOD-NDPMZMCLSA-N 427.914 -0.169 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc2n(n1)CCNC2=O 1794972602 IMOVBJWNYXFVEB-OTMMVIPVSA-N 444.261 -0.480 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2)c1cccc(B(O)O)c1 1795738763 DFWYKIPQXSUJST-NPDDRXJXSA-N 449.316 -0.716 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cn2ccccc2n1 1796825819 DUWXSLNTBARBTM-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOC1=O 1797745481 LCZFONKPQOPLKX-BTTYYORXSA-N 430.465 -0.221 50 20 IBGD NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1798357205 HYJXJCGMMWZKLL-NHRVJRKFSA-N 430.234 -0.531 50 20 IBGD O=C(CN1CCCC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814594579 YOAFPBBJBBLEQW-CQSZACIVSA-N 442.306 -0.329 50 20 IBGD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1817323535 OQECPBAMIFUSRG-CQSZACIVSA-N 444.322 -0.179 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829773125 BQPFWRZWSXQSIG-WIXIHDJSSA-N 429.901 -0.445 50 20 IBGD CN(C)c1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830725524 PDMVQHRRWYZNRQ-QFBILLFUSA-N 426.901 -0.183 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833508716 RYECAAVUTGAQLE-FZKQIMNGSA-N 428.873 -0.191 50 20 IBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1833768133 KPPHQFQTSOESMV-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839670376 FNMACSJBNRRDSZ-MRXNPFEDSA-N 435.264 -0.179 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448861 OIARAGWKVHJGBB-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1844263709 LPBUYPBCIQVVPR-UHFFFAOYSA-N 439.476 -0.350 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 729619806 UOWSEUFLHJLOFN-JKSUJKDBSA-N 439.538 -0.191 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 764003779 JEJNLVMJQXCVOG-QGZVFWFLSA-N 440.412 -0.241 50 20 IBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 772883997 GVPVIGYRKAVIIY-CQSZACIVSA-N 437.865 -0.166 50 20 IBGD Cc1cc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)ncn1 783945572 MVJKWHNWJNTUJK-MRXNPFEDSA-N 426.433 -0.119 50 20 IBGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779014 OADKGMVVUQWWAW-SMDDNHRTSA-N 428.467 -0.735 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C=O)c[nH]3)CC2)cc1 815826945 GMOGTWNYYQIGGW-UHFFFAOYSA-N 433.490 -0.097 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)S(=O)(=O)C1CCOCC1 1319178905 BYHYEXXDNGZOFW-LBPRGKRZSA-N 447.535 -0.320 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778103520 VGKQTAJOQZZKPG-YIFZBPKDSA-N 445.325 -0.639 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787392452 DXIOTWAIYKGGQP-YTFOTSKYSA-N 449.932 -0.549 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2nn[nH]c2c1 1790535650 SEZAAXBGFRCMLL-KNBMTAEXSA-N 449.276 -0.455 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975313 QKKIFVJKCKDPCJ-AICCOOGYSA-N 449.932 -0.549 50 20 IBGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cs1 1794078402 RJNVPBUAYCXCPH-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1796440592 TUAKVOJERULLJZ-MLYANYNQSA-N 446.508 -0.518 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754141 MOYYIHCHLYAMNA-FRQROOTJSA-N 441.492 -0.346 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798385423 JGOJHMNIPWGHCO-FQUUOJAGSA-N 431.497 -0.356 50 20 IBGD Cc1ccn(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798742006 OUHHJAFZWQKKQW-XOIINTDNSA-N 426.477 -0.151 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1801289171 KWZVRALVOBRROG-ZMJPVWNMSA-N 432.308 -0.150 50 20 IBGD C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832452176 SCNDJRWTPKTEHA-FQEVSTJZSA-N 434.323 -0.644 50 20 IBGD CNCCCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834711408 VKWIKBPKJQDXSX-UHFFFAOYSA-N 430.358 -0.449 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnccn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797337 DOWXJDJYZJZHNT-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)o1 1835934206 PNGZLPLMZOBMHY-QFIPXVFZSA-N 442.277 -0.419 50 20 IBGD CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CC1 1836717579 YOMVDNIDIZOQSI-GOSISDBHSA-N 430.977 -0.168 50 20 IBGD O=C(Cn1cncn1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837919284 BSEMEBDNEGOCDR-UHFFFAOYSA-N 441.297 -0.730 50 20 IBGD Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C1)CCC2 1839581078 CPXQSSQYYHZJOM-KXBFYZLASA-N 426.901 -0.422 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1840184730 CJLQXQCJVIIDMD-XWIAVFTESA-N 434.896 -0.260 50 20 IBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 16594159 KCSLBEHGGSUSDJ-UHFFFAOYSA-N 446.551 -0.240 50 20 IBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1 729275513 OYIMRYQAVFNMOP-ZDUSSCGKSA-N 446.551 -0.132 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)C[C@@H](C)O1 732261269 BWYJVDGYPFFPDW-HUUCEWRRSA-N 430.513 -0.013 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNc2nccn(C)c2=O)o1 747942342 SCSRXHNHPQFFNV-LLVKDONJSA-N 439.450 -0.154 50 20 IBGD CCOc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OC 755966566 XSIGXPJCUHOFEU-UHFFFAOYSA-N 445.436 -0.306 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)co1 757626403 AHANXJFYKUFDQE-UHFFFAOYSA-N 442.475 -0.214 50 20 IBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)O1 760203312 KMZPXGXNZAAIRU-UKRRQHHQSA-N 439.494 -0.552 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 767462591 PSCUJRSYKLSTQO-MNOVXSKESA-N 439.487 -0.512 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cnn(C)c3C)CC2)cc1 794391353 AWMREFYNOYZWNP-UHFFFAOYSA-N 448.549 -0.267 50 20 IBGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814534302 QUIKNQUMFOQYHJ-AWEZNQCLSA-N 442.480 -0.036 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c2ccccc2c1=O 816805607 CFTKOUYZUCMUOW-LBPRGKRZSA-N 436.494 -0.346 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1777903909 TWZSYAOQLKETQC-NRFANRHFSA-N 443.508 -0.146 50 20 IBGD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)ccn1 1779561332 XPPSEJHAYNPASO-NRFANRHFSA-N 440.460 -0.154 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782705363 TVXIEFAUQRCJEV-XOBRGWDASA-N 434.254 -0.629 50 20 IBGD CC1=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CCO1 1787162286 IJANXBDONCINTP-KKXDTOCCSA-N 429.477 -0.027 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1790958501 RQRRTIJRXRUBOG-CYDGBPFRSA-N 445.314 -0.309 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)n1 1792978100 BZBSQZLVZICGLI-QPPBUOOMSA-N 428.829 -0.199 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc13)C2)c1cccc(B(O)O)c1 1795738723 BALBRWBORVSZQU-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nn1C(F)F 1795740187 BILSTKKQZPOWKS-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1800592152 VCAGFMSYHISJLI-DFGXFYAUSA-N 447.297 -0.539 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778048 VWQBDEKKYYXZFL-DBWKPXFBSA-N 445.384 -0.189 50 20 IBGD Cn1nc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)cc1O 1807483945 GLDHTNPBBGWZPP-UHFFFAOYSA-N 426.282 -0.036 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966557 DGLCZKUICUBHAR-QGZVFWFLSA-N 430.314 -0.342 50 20 IBGD CCS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815168899 MSWDWLKNMGGCDW-INIZCTEOSA-N 448.310 -0.170 50 20 IBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824182768 JTAQGAFHWFNVLH-KGLIPLIRSA-N 437.888 -0.354 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CN1 1825199535 VYQQEFRQBDUZRC-DGCLKSJQSA-N 428.279 -0.815 50 20 IBGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)C(=O)OC(C)(C)C 1830723910 UJGDJMQFJDEHTR-KUHUBIRLSA-N 449.932 -0.091 50 20 IBGD CC[C@@H](C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833496637 DYFQZNSJWUQRAT-IERDGZPVSA-N 445.369 -0.041 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1838130140 XDMFHPDIFAVKJF-HXUWFJFHSA-N 437.497 -0.320 50 20 IBGD O=C(c1cnc(O)nc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198980 HBSQTFCYLDROAF-MEBBXXQBSA-N 449.233 -0.352 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@@H]1CN(Cc2ccccc2)CCO1 735612962 SZWPXHLYFHNCRT-INIZCTEOSA-N 446.533 -0.036 50 20 IBGD Cc1cc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C 737766590 SHROGZGRSCAMHT-UHFFFAOYSA-N 435.400 -0.336 50 20 IBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C(=O)N1c1cnn(C)c1 745918363 NXPABBOEWVDCFA-ABAIWWIYSA-N 438.448 -0.195 50 20 IBGD Cc1c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cnc2c1c(=O)n(C)c(=O)n2C 747727735 ORJHYCCXGYHDHP-UHFFFAOYSA-N 449.427 -0.738 50 20 IBGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)COc2ccccc2C#N)c1=O 757780019 DQPLVMHHNPAANH-UHFFFAOYSA-N 433.446 -0.004 50 20 IBGD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H](C)O1 764226409 IIZNYWPMUHSNIG-FRRDWIJNSA-N 441.510 -0.676 50 20 IBGD Cc1nc(-c2ccccc2)ncc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725435 RXWLEKQZZKIHCQ-UHFFFAOYSA-N 448.443 -0.340 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CN(C)C(C)C)CC2)cc1 766636107 JOBJUDNJKRTMFD-UHFFFAOYSA-N 425.555 -0.211 50 20 IBGD O=C(NC[C@H]1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 767173497 XGLSQQWCJKNSLI-OAHLLOKOSA-N 444.535 -0.008 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccnc(C(F)(F)F)c2)n(C)c1=O 808408308 NPQLQDNTAVFAAH-UHFFFAOYSA-N 425.327 -0.691 50 20 IBGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2CC1 1117055322 DCAIVFHDCOBXJO-HNNXBMFYSA-N 429.520 -0.622 50 20 IBGD O=C(CSCc1cc(=O)n2ccsc2n1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317977224 BSDBKWNOOFSJHH-VIFPVBQESA-N 431.521 -0.493 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781342351 DZCDONXVCYFGFG-KRWDZBQOSA-N 437.099 -0.263 50 20 IBGD O=C(CCN1CCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1783318207 QHJCYTJLAYRUEG-NFBKMPQASA-N 443.353 -0.020 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1783933957 PBXUHPYAEFJAOT-IBGZPJMESA-N 436.538 -0.228 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1[C@H]2SC=C[C@H]21 1790625695 ZJSOVAHGXFNHLN-ZKFKSPHGSA-N 428.319 -0.165 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cn1)C2)c1cccc(B(O)O)c1 1795738737 BSNGSAIVYYHBCU-YVWYUNDQSA-N 427.241 -0.654 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ncnn2C)[C@@H]1c1cccnc1 1805282896 MZYWFJQVZDCQCP-QAPCUYQASA-N 428.497 -0.097 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)O1 1807361782 XROBGEDLQZTFMC-NJAFHUGGSA-N 438.249 -0.811 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322808 RLKVNWSHPKMEIL-NSHDSACASA-N 448.505 -0.647 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1C1CC1)CCO2 1830495291 IOTSVWNLPOEQOP-IPJJNNNSSA-N 428.294 -0.518 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1830543737 BEEHMCZWABXIEV-IIYDPXPESA-N 432.315 -0.390 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1831794619 JKTZTUIKJAKUNZ-NRFANRHFSA-N 443.460 -0.030 50 20 IBGD O=C(O)c1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)ncn1 1833308250 MGXHEPYMOYDGRE-INIZCTEOSA-N 439.900 -0.040 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)O1 1835930546 MMYPAKWMSRADTK-FPDPHYFHSA-N 432.282 -0.996 50 20 IBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933599 CZAMPCKZHYGVSN-VGSWGCGISA-N 446.309 -0.747 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1C 1835937379 SIFGNMIAJCUBQV-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839079538 CMMIUUWOKSGAGS-WSMBLCCSSA-N 434.331 -0.661 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748245988 BRLCXHWTUFIDCQ-UHFFFAOYSA-N 425.467 -0.965 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)Nc1ccn(CC(=O)N2CCOCC2)n1 756654481 KYMHDTDQLNPITP-HNNXBMFYSA-N 430.421 -0.265 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(C(N)=O)CCC3)CC2)cc1 766636534 PJQNQAWYEULJHA-UHFFFAOYSA-N 437.522 -0.896 50 20 IBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1F 773885809 QFTRDLXWGLQZBP-UHFFFAOYSA-N 428.380 -0.521 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787889374 MEMIKALCMDNHGD-UHFFFAOYSA-N 428.287 -0.067 50 20 IBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1 816831365 PPNMQZRIGFETEB-UHFFFAOYSA-N 441.473 -0.030 50 20 IBGD CN(C)C(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916624152 UXPGAQGJHMFGEQ-UHFFFAOYSA-N 427.483 -0.870 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919885580 MFJHOOMAFSGXNS-HIFRSBDPSA-N 444.535 -0.334 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)CC1 1778359383 USMIWEILSBYWDD-KDOFPFPSSA-N 445.358 -0.236 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1779029258 PZIVCHOHUZEWCV-JXFKEZNVSA-N 429.433 -0.545 50 20 IBGD CN1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779032556 MJLAJWZKYAYXOP-BTYIYWSLSA-N 430.509 -0.530 50 20 IBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1ccccc1=O 1779264845 KZUSSTOOBNUBHY-AOMKIAJQSA-N 439.277 -0.767 50 20 IBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210029 AWBOWAMHBRGVRK-IIBYNOLFSA-N 439.557 -0.212 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1791286881 NHHOCOCBFOQPFV-ULQDDVLXSA-N 441.598 -0.612 50 20 IBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nn1C 1793130266 RQPGKLLSOPEESS-HBCWATKFSA-N 441.492 -0.827 50 20 IBGD Cc1ccncc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794102454 VZDBISVGBKTINV-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C)s1 1795737288 PIALAKYDGRVCHB-CWPLJXCYSA-N 443.334 -0.114 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(F)(F)F)CC1)C2)c1cccc(B(O)O)c1 1795739163 QCHFEQNNOIPTAV-AGGWBTHJSA-N 426.200 -0.088 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832381111 UACQKJHOGXNKPO-PXAZEXFGSA-N 445.314 -0.166 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832684585 GLVRTGRMRVRRLM-KPZWWZAWSA-N 430.889 -0.694 50 20 IBGD CN(C)CCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834615184 UCRYEQSQIOMRBB-UHFFFAOYSA-N 430.358 -0.497 50 20 IBGD Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1C 1835927859 YXOPSKRDUMKZJV-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD O=C(Cc1cccs1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836086359 ISRYIXZIPIZBLF-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD Cc1cc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1837558688 WYBPMZXPMLRQQT-LWQICCLCSA-N 449.508 -0.174 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1837717384 DYFIICDRXQEANG-BEFAXECRSA-N 427.574 -0.180 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC(C(=O)NCCN(C)C)CC2)cc1OC 728925061 AMPHGZYGVVSRAO-UHFFFAOYSA-N 435.525 -0.145 50 20 IBGD CN(CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ncnc2[nH]cnc12 744619014 FNEIOCHZLZYPRT-UHFFFAOYSA-N 446.493 -0.047 50 20 IBGD CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 747848836 RKWNKZDDIUKKIY-UHFFFAOYSA-N 437.522 -0.308 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 755352964 CKTXLHDGKPVJBY-GFCCVEGCSA-N 446.507 -0.705 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1=O 763810750 ASTHIQJPGRJZBQ-UHFFFAOYSA-N 430.417 -0.115 50 20 IBGD COc1cccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1OC 765730573 LYNQBSYUSUNPJR-UHFFFAOYSA-N 444.448 -0.769 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 777939484 QDMOTPJQZHLCSU-UHFFFAOYSA-N 448.523 -0.039 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)O 782253007 ZEEKPGQEFGAGIA-GFCCVEGCSA-N 433.508 -0.081 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC3OCCCO3)CC2)cc1 793676367 RDGNVYKIKURSEV-UHFFFAOYSA-N 440.522 -0.398 50 20 IBGD Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1=O 806979964 HFEDXXHECAHOQC-MRXNPFEDSA-N 432.408 -0.155 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 808257309 CKSJWUGYROKVAL-GFCCVEGCSA-N 427.483 -0.456 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1S(=O)(=O)NC1CC1 815779590 MRUAMIRTOCYUEY-CYBMUJFWSA-N 426.451 -0.599 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777822384 OZSMPURMABWECX-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779393481 ZBZPGUHRMWOQMT-HXUWFJFHSA-N 427.465 -0.218 50 20 IBGD Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C1)CCC2 1782437388 VFQJGUOWUDCBOO-QFIPXVFZSA-N 438.293 -0.654 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccco3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980150 OLMPPLZHLHOYOY-ZVZYQTTQSA-N 426.234 -0.564 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507766 RAUCHDVYNKRCPP-CMTYFZFOSA-N 446.508 -0.375 50 20 IBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(O)n1 1795740227 GWBZVCRAGIUGKV-JLVBRIDZSA-N 425.250 -0.708 50 20 IBGD Cc1cc(NC(=O)CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)no1 1796189268 RPUKJSFVJRAKRC-BJWYYQGGSA-N 440.265 -0.057 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccn3cn1)C2 1797750538 FZSWPBQAUSUBQA-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nc1 1798639856 BHBNGHYRNFMAHB-FVCICTRLSA-N 426.433 -0.697 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803140019 BBJBAJOCUULHIU-DVOMOZLQSA-N 432.868 -0.110 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ccnnc1O 1811225981 VFYWGJZDPBKWLA-LPHOPBHVSA-N 447.260 -0.110 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474823 HGCQYDROYNDRAO-HNNXBMFYSA-N 429.242 -0.249 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831488000 UQZKLKRYQKQXDE-FXAWDEMLSA-N 436.339 -0.609 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cccc(B(O)O)c1 1834800559 MHZANORSUHCELC-SFHVURJKSA-N 437.733 -0.849 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCOC3)CC2)CC1)c1cccc(B(O)O)c1 1834801443 JUEXVVULZZUQET-SFHVURJKSA-N 443.353 -0.022 50 20 IBGD N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939550 SMFOZWPBQYAUEQ-HSZRJFAPSA-N 449.272 -0.378 50 20 IBGD O=C(c1ccnnc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838375533 CUZUBGKQIOZVIH-ABAIWWIYSA-N 433.234 -0.057 50 20 IBGD Cc1cc(NC(=O)CN2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 11076311 OSQAWONUGBVMSV-UHFFFAOYSA-N 445.436 -0.091 50 20 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436.513 -0.727 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)n1 746909258 BTYXHDGFSXPXKW-UHFFFAOYSA-N 432.418 -0.654 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 751302339 HZVBYLVYAGLUAG-KGLIPLIRSA-N 433.490 -0.003 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763818885 PJOJYMFOXMZNPS-UHFFFAOYSA-N 447.473 -0.470 50 20 IBGD CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2C1 783524100 MSFPFAVCTAEVQH-SNVBAGLBSA-N 427.483 -0.101 50 20 IBGD COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OC 913154182 ZZILMALTTPBZCR-UHFFFAOYSA-N 425.405 -0.130 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](B(O)O)C3)CC2)o1 1118915009 FFCIXSWNPHHHEQ-CYBMUJFWSA-N 428.272 -0.068 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1778801806 KFQQRGYLBNVANV-UYAOXDASSA-N 426.514 -0.223 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1779028781 OVGPRMKTRGOKOV-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21)[C@@H](O)CCl 1784090046 OWNKHWQBALWHTN-NUZBWSBOSA-N 446.913 -0.969 50 20 IBGD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(F)(F)F 1784872998 GMQOGEBMLKJWHB-OWCBBSPXSA-N 444.215 -0.727 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786260259 OUFLEPPOAFENQH-JFILPPLUSA-N 439.900 -0.526 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791329 VMICMTPTFATKHG-ASHKBJFXSA-N 446.268 -0.073 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985207 QSBQYVJFHHCHTO-GIUOSPMZSA-N 445.369 -0.062 50 20 IBGD COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290880 CRBFQELCBYBKPV-BPUTZDHNSA-N 437.497 -0.213 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2)[C@@H](O)CCl 1792978138 FWEAAZDWTCDMFH-KPEUIFRASA-N 438.912 -0.279 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1796441321 YKJPTACXYPMALA-ZPLRYINRSA-N 443.464 -0.537 50 20 IBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1799275150 OVEQCUUAWNGBFW-YFESCLGYSA-N 444.279 -0.748 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801399175 WPFVTEPXVKGNEP-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)C1 1809974092 ORTFXFPATHKBFA-SFHVURJKSA-N 448.350 -0.212 50 20 IBGD O=C(Cn1cccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1815710675 PAYHWMXJLAGDHU-AWEZNQCLSA-N 425.279 -0.055 50 20 IBGD O=C(Cc1cnc2ccccn12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719959 PMCWYIAYAATABY-UZLBHIALSA-N 436.896 -0.067 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831433325 HNHPMEPFAJVGLH-UZLBHIALSA-N 426.514 -0.593 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306151 KOZCIHLLSOLBNF-CZUORRHYSA-N 437.990 -0.162 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833508718 RYECAAVUTGAQLE-UGSOOPFHSA-N 428.873 -0.191 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335425 HWYJPNMEEJTBTK-KRWDZBQOSA-N 445.398 -0.293 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 104669284 ORYYRIXFGCWTFM-CQSZACIVSA-N 436.490 -0.005 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2)CC1 728852808 ZAODSARGHOZQMZ-UHFFFAOYSA-N 445.501 -0.062 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732474661 SGSHQRLCTAASJI-INIZCTEOSA-N 444.510 -0.107 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc12 742036776 PQHARSCCGXXAKM-NXEZZACHSA-N 427.508 -0.356 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)n(C)c2n(C)c1=O 744847808 ANWIKGUZVGNLEP-UHFFFAOYSA-N 438.400 -0.935 50 20 IBGD O=C(Cn1nnc2ccccc2c1=O)N1CCN(S(=O)(=O)CBr)CC1 758523282 NRGYOGRQVQCRHH-UHFFFAOYSA-N 430.284 -0.382 50 20 IBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765729343 OWVNKMBQZPUKOX-OAHLLOKOSA-N 440.522 -0.352 50 20 IBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733671 PEVVVNMKQFHQMH-UHFFFAOYSA-N 429.437 -0.295 50 20 IBGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 772885090 VFBPOZHOMFASJR-WMESBKTJSA-N 448.863 -0.346 50 20 IBGD COc1ccc(CCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 919832830 KQGUSGJWIQTYBT-AWEZNQCLSA-N 436.490 -0.059 50 20 IBGD CC(=O)Nc1cccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 1248583288 OSAUEFRVYGTEAQ-UHFFFAOYSA-N 437.507 -0.453 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1783967357 GIHBWLJVZMIHJZ-HTOAHKCRSA-N 433.347 -0.410 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800759549 UZHLYFYATUZUGU-SWMGHYKJSA-N 449.298 -0.146 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372501 FROUFRCSIRCODW-WIYYLYMNSA-N 438.293 -0.393 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1)n1cnnn1 1817479110 HDSXZLLFHNWOLH-BLLLJJGKSA-N 438.257 -0.357 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)CC2 1826080913 HCNCDGPFOVALOG-VXGBXAGGSA-N 436.538 -0.046 50 20 IBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cnnn1 1826092259 WRIPKWHNMVFXQA-WDEREUQCSA-N 435.514 -0.324 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832937576 UIYHDJKSYZAHMY-INIZCTEOSA-N 431.497 -0.413 50 20 IBGD NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834736890 MCONFOUKMKIUJB-OAHLLOKOSA-N 446.390 -0.064 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1835935304 NNRHXKFWPBYDMC-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837478065 WPXIXOANINYJIE-SUNYJGFJSA-N 427.889 -0.667 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840150557 NGJKWJGKLHDICK-HNAYVOBHSA-N 427.885 -0.291 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnccn1)CCO2 1840458863 DHJOJYCLCIMKLY-OAQYLSRUSA-N 448.524 -0.761 50 20 IBGD C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039216 RVFCVMQBHBQYQZ-MRXNPFEDSA-N 430.509 -0.330 50 20 IBGD COCCN(C)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 727033326 QPJASVOUVDEMPL-UHFFFAOYSA-N 429.547 -0.778 50 20 IBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 731760508 NEQCQPZTZOIDBC-UHFFFAOYSA-N 449.555 -0.400 50 20 IBGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2=O)n(C)n1 743510076 PGOWZCNNSQRYET-LBPRGKRZSA-N 448.509 -0.229 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 755621792 CSVPXWGEAVCIGR-LBPRGKRZSA-N 426.499 -0.835 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3C[C@@]34CCOC4)CC2)cc1 763765228 ZNFWHWLMUXMIGA-FXAWDEMLSA-N 436.534 -0.125 50 20 IBGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 763997336 JVPPWCNIXOWPDD-GFCCVEGCSA-N 441.462 -0.219 50 20 IBGD COC(=O)c1cncc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 774300669 ATHLQRNWNXOVMC-UHFFFAOYSA-N 434.478 -0.044 50 20 IBGD C[C@@]1(NNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCS(=O)(=O)C1 783427386 SFTZIGWVRYNZJJ-MRXNPFEDSA-N 428.423 -0.107 50 20 IBGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc21 784001930 GHWRZQXZKNWEGQ-UHFFFAOYSA-N 442.432 -0.113 50 20 IBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)NCC(F)(F)F)n[nH]c2n1 798314438 LSUPCXDHPRWRRY-UHFFFAOYSA-N 436.424 -0.210 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 879410197 NYVIUCHUCBMPGZ-UHFFFAOYSA-N 446.445 -0.641 50 20 IBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)C[C@@H](C)O1 914789271 ZBKOJBKVBLOZDC-IYBDPMFKSA-N 439.538 -0.581 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 919888319 CBKKSYFSJZXTMZ-ZFWWWQNUSA-N 444.535 -0.253 50 20 IBGD CN1CCC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371503 WBZUCHIXAMZKDG-NJNPRVFISA-N 444.536 -0.093 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)no1 1784090825 DCHVPTXLJRIUIY-JURCDPSOSA-N 428.873 -0.708 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784108911 DIGFJIMZQKWSQS-SJCJKPOMSA-N 428.283 -0.228 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc(Cl)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984413 FHLXFJJFENJUQJ-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788565737 NRHBHJKVQIZWCJ-UGUYLWEFSA-N 440.545 -0.953 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1791293321 VCRYXRQUAOYNCT-IHRRRGAJSA-N 439.542 -0.751 50 20 IBGD C/C(=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C(=O)O 1792168158 SIXNVJVNDNKEGJ-BKEQYABYSA-N 431.449 -0.691 50 20 IBGD C[C@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736255 RWKVTKUPMHUDLO-KBMWQNTOSA-N 437.305 -0.157 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1ccnc1 1797748737 ZCEATUXLIGCIGB-VWPFQQQWSA-N 427.465 -0.654 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1800641530 DMJGBBXGTIYEFG-XLWJZTARSA-N 434.331 -0.099 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1)[C@H](O)CCl 1814870535 VWDLZKDWRKAKOT-WDEREUQCSA-N 435.832 -0.559 50 20 IBGD O=C(Cn1cncn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815662951 QXONCUUXGZPZCE-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C(CSc1ncccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722663 GSHGVUZQGFQBEV-GUYCJALGSA-N 430.914 -0.375 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1 1830732880 XSGYEPSVGRDYAU-KBXCAEBGSA-N 429.905 -0.297 50 20 IBGD N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838905994 KQQCEYKCHSLIKS-HSZRJFAPSA-N 449.272 -0.378 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839963360 INOOWTVSMMVXAK-IGCXYCKISA-N 432.315 -0.105 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840132120 AHISFGHHIMIMFV-MGPUTAFESA-N 426.514 -0.569 50 20 IBGD CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840184775 BGXXMLGTDKCTSP-DYESRHJHSA-N 439.557 -0.842 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1840185522 ONAZQNMXSZPLHQ-JOCHJYFZSA-N 447.536 -0.054 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1840187304 RRSGTOBSLCZASR-UZLBHIALSA-N 442.582 -0.041 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359655 PSQJSSBDDDPXFX-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1840569964 JGMQMEPSATYVRZ-CPOKCXMASA-N 446.508 -0.862 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2c(O)cc(O)cc2O)C1 1845421277 BHTSLVAKDPNFDM-UHFFFAOYSA-N 427.417 -0.067 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC(=O)NC(C)(C)C)nc2)CC1 728130962 AXGAPVVMFKTVFZ-UHFFFAOYSA-N 441.558 -0.051 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)o1 746393046 VZQVQSXRUWBHQZ-KGLIPLIRSA-N 440.522 -0.082 50 20 IBGD CN(C)C1CCN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 759587239 ISITZGLEAYLENS-UHFFFAOYSA-N 440.570 -0.093 50 20 IBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 761954071 ZCSJVEZTFPPWQN-UHFFFAOYSA-N 439.538 -0.689 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(=O)Nc2cccc(C(F)F)c2)n(C)c1=O 764379303 VNZKGWMQIFBMET-UHFFFAOYSA-N 449.374 -0.843 50 20 IBGD Cc1ccn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)c1 770813897 MUMOGNGGBYDUDJ-UHFFFAOYSA-N 434.474 -0.361 50 20 IBGD COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 778645040 GOGXGKCYHLQNBX-LSDHHAIUSA-N 442.494 -0.165 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cccc(C(F)F)c2)n(C)c1=O 780399122 YNOFSPGHCPAADH-UHFFFAOYSA-N 442.404 -0.619 50 20 IBGD O=C(Cc1ccccn1)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806978465 CJVZDUCBTHQCRI-GOEBONIOSA-N 437.456 -0.193 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1csc(N2CCOCC2)n1 912852503 XGMYKMUAZZWLIF-GVARAGBVSA-N 431.474 -0.452 50 20 IBGD CSC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 919886239 RQDFECLZTKQZKB-MROQNXINSA-N 446.551 -0.589 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786983546 RSQFQYJISZTGTN-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788630593 WBTGUZKGGSXCBM-QZWWFDLISA-N 447.540 -0.370 50 20 IBGD Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792976382 GECGHRCVRSRMBF-KPEUIFRASA-N 444.937 -0.042 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1796439610 QWDCUEPLZCCLMP-OHLKMNRISA-N 432.481 -0.779 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797381237 JNIYHAQDPBKXAB-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801028965 KXKBEHFTRPMOCP-VZAMPYOESA-N 437.522 -0.998 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806642020 ZFJHBTPELQIMRK-TWOQFEAHSA-N 430.509 -0.261 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367882 OJAFAKHNEDQFBU-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812648494 NPIRKQLDTXZHBX-HEFCMCLBSA-N 438.293 -0.394 50 20 IBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cnnn1 1815347545 COJRLVRXADCNAV-GXFFZTMASA-N 441.282 -0.704 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1830046311 GUPUJXFLQFUTBX-GOSISDBHSA-N 430.578 -0.435 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352294 KSEILDWSTDBKNK-FZKQIMNGSA-N 428.873 -0.191 50 20 IBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202945 USRRIZZGXZUFMZ-RISCZKNCSA-N 426.239 -0.511 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840037276 XLCPHWQQFLDHHX-SLEUVZQESA-N 431.291 -0.526 50 20 IBGD O=C([C@H]1CC[C@@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012011 UZLREBBUCARAER-FUHWJXTLSA-N 425.294 -0.416 50 20 IBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765736435 SBZDFNARAASZFD-UHFFFAOYSA-N 431.493 -0.769 50 20 IBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 772963985 MXHHNYARNRMCCF-SNVBAGLBSA-N 434.840 -0.298 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCOc3ccc([N+](=O)[O-])cc32)n(C)c1=O 788433396 ABGPGWYXERKEQT-UHFFFAOYSA-N 427.377 -0.355 50 20 IBGD COC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCCO1 789332510 PUWQXMWWJPUCKB-HOTGVXAUSA-N 442.542 -0.162 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3csc(O)n3)CC2)cc1 792238051 QJPLHLXLMNLLOS-UHFFFAOYSA-N 439.519 -0.075 50 20 IBGD NC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)nn1 810510934 FJRBVTMGKSXNFS-UHFFFAOYSA-N 429.256 -0.240 50 20 IBGD Cn1nc(C(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c2ccccc2c1=O 917387480 UKHTWUSOUGQORV-UHFFFAOYSA-N 446.423 -0.034 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccncc3F)CCO2)C1 1779029893 BBGNXHIWKHHILG-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1792867776 KUVWNWBOJXZZCF-HNCHTBHHSA-N 442.247 -0.668 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2)[C@H](O)CCl 1792980177 FHUQFIQXIWTCAK-IQOUGMIPSA-N 426.882 -0.441 50 20 IBGD Cc1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1793912901 AWWMSNVUTVPLHM-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794206372 LBKFXULZOVOAEW-VYCZESIESA-N 426.282 -0.898 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccn1 1794815631 FXELQBKNGWWOBZ-CDKNRDMASA-N 425.449 -0.186 50 20 IBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)c(=O)nc1O 1797959437 SXBWZFBMHGILPS-XOIINTDNSA-N 438.557 -0.302 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806912045 IXTCVDPTTOXZGG-GCJKJVERSA-N 446.552 -0.207 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1810558478 FEAFLHOBMRJANC-LUKYLMHMSA-N 426.901 -0.162 50 20 IBGD Cn1ncnc1C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354965 JKCPONAREVYING-GFCCVEGCSA-N 426.267 -0.509 50 20 IBGD C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1829669260 UMTMOMDQDSWFDU-NRFANRHFSA-N 429.477 -0.279 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837457023 STBRFJPHDWFMIP-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199877 XOAMHYKFXFLZNC-ZIBATOQPSA-N 439.282 -0.420 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840032099 NUJLUMCBUZOKNL-GUYCJALGSA-N 432.315 -0.151 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264200 NLXDBNFXNJYVCB-SJCJKPOMSA-N 444.282 -0.849 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479627 CVMUFMOLXZIVBR-DVOMOZLQSA-N 445.318 -0.136 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 23080798 KDPWVJJHCYYRIO-ABAIWWIYSA-N 436.446 -0.861 50 20 IBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727268782 RWJYVAKLUUOZKU-UHFFFAOYSA-N 443.551 -0.659 50 20 IBGD CS(=O)(=O)C1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCCC1 728341173 TXSPDFDVKPWTOX-CQSZACIVSA-N 426.447 -0.126 50 20 IBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C)N1CCOCC1 729624596 YJNWNTAMNRHJSF-UONOGXRCSA-N 427.527 -0.010 50 20 IBGD COc1ncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 733909321 JIYXGQUPADTGHG-UHFFFAOYSA-N 449.489 -0.100 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 742062494 PRDIOVADJYWHOH-SNVBAGLBSA-N 442.523 -0.657 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742535487 UJHAZTRSKSZDNJ-VDERGJSUSA-N 435.458 -0.596 50 20 IBGD NS(=O)(=O)Cc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 758522812 KJSGCBAYDYTGNO-UHFFFAOYSA-N 440.341 -0.085 50 20 IBGD CCN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 762220680 DIMHVQIEWUFAQU-LBPRGKRZSA-N 430.914 -0.274 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 764233390 WNRMTDKDUNZSRE-CENRPKNCSA-N 444.413 -0.662 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 764399595 KQKVHCTUWPTKIT-JTQLQIEISA-N 435.416 -0.184 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1cccc(S(C)(=O)=O)c1 776535904 GFCRZIVQGODWCJ-LLVKDONJSA-N 440.503 -0.001 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Br)c1F 787542450 KHJBMJQIBVTSMH-RXMQYKEDSA-N 443.226 -0.249 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1S(=O)(=O)N1CCOCC1 790384871 DIGXADCHKINRDL-UHFFFAOYSA-N 442.519 -0.022 50 20 IBGD O=C(NNC(=O)c1cc(Cl)ccc1O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 802586011 SLFFZMURICWYEW-JTQLQIEISA-N 428.854 -0.028 50 20 IBGD N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 916144936 ZPNBWDOIBJBXDL-UHFFFAOYSA-N 425.430 -0.090 50 20 IBGD O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779137572 VORXCAHGGFLUQL-IIHIVLJSSA-N 425.250 -0.478 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1783934101 YBXKWJBRFTYTEH-DYESRHJHSA-N 432.525 -0.326 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1783936389 VGOSUDGQPPIFJM-HXUWFJFHSA-N 434.497 -0.518 50 20 IBGD Cc1cc(C)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1785343572 XPRNATIXAUXEIP-BZSNNMDCSA-N 434.541 -0.147 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)c1ccc(B(O)O)cc1 1786979569 ZQACNXSIJCDTMR-BPUTZDHNSA-N 439.115 -0.255 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C[C@@H]21 1787508997 PAZZCUOCZVCKHV-DVBSWERSSA-N 442.480 -0.160 50 20 IBGD Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)n1 1788504622 BXRWIHQHBYKMLW-AVWBDOJWSA-N 433.282 -0.010 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607800 JFDNHDBBHOFBKR-JQFCIGGWSA-N 431.493 -0.106 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789801827 YMDIBAFUWXNLKY-FPSMNIFISA-N 430.977 -0.144 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791058174 SSIWXKRQENZYRE-MZGVZZPPSA-N 439.115 -0.257 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nc1 1796728748 IWWKVONXQXEHFQ-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2 1797753918 BMGFDDHUDNKSEX-HBCWATKFSA-N 439.476 -0.689 50 20 IBGD COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807374147 ITUKBMACNZGLIS-QFBILLFUSA-N 440.265 -0.563 50 20 IBGD CN[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1826940852 LICJWBWFBNNGPI-MOPGFXCFSA-N 445.325 -0.338 50 20 IBGD Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834069707 HXCZLRYUHNJJGU-HXUWFJFHSA-N 437.497 -0.266 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798143 WRFXSILOOPPSER-UHFFFAOYSA-N 442.369 -0.353 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404654 JWWKXSSNAFRNPR-PXNSSMCTSA-N 446.976 -0.666 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682618 MXCNDMUTRNCZGO-KXBFYZLASA-N 430.933 -0.022 50 20 IBGD CC1(C)CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835934181 OUKQTIJFLVJQFE-QFIPXVFZSA-N 430.310 -0.127 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1835937979 DEOLYOZKOHAWLS-GHTZIAJQSA-N 430.266 -0.871 50 20 IBGD CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837812580 IGIIVDPJBUAUNY-UHFFFAOYSA-N 446.508 -0.615 50 20 IBGD COCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846248395 WIVDNGIQWJCFPW-UHFFFAOYSA-N 434.298 -0.747 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2)C[C@H](C)O1 726716713 GATSLANFAQWTCW-KBPBESRZSA-N 438.506 -0.132 50 20 IBGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729274716 BBCUODICRVLTCG-SECBINFHSA-N 428.496 -0.673 50 20 IBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748247176 LXSIIOASVUHYMU-UHFFFAOYSA-N 438.506 -0.134 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 762963244 BGSCSHZUGXAUOY-BZNIZROVSA-N 448.457 -0.560 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 764228593 YXMTXFBENCWCEG-FZMZJTMJSA-N 428.467 -0.732 50 20 IBGD COC(=O)c1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765732751 WZJRPNMVJZZQBS-UHFFFAOYSA-N 442.432 -1.000 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3cc(C)cn3)CC2)cc1 766637121 XVGSMHZSZXCWOF-UHFFFAOYSA-N 434.522 -0.346 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)cc3nc(S)[nH]c23)n(C)c1=O 766638897 KTQIHIDHBFVUFQ-UHFFFAOYSA-N 446.424 -0.801 50 20 IBGD CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCS1(=O)=O 773184005 IYJOOTVTHMAZNS-OAHLLOKOSA-N 442.450 -0.041 50 20 IBGD COC(=O)COc1ccccc1C(C)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 783820712 ICELWXBWHROIAR-UHFFFAOYSA-N 435.462 -0.337 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1779310372 DTNUBHGGCQQJOA-IFIJOSMWSA-N 434.331 -0.002 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979822 RWFUYXHNLRKETA-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979908 ZJFMLNICHNWKIO-DTUAVKEFSA-N 442.325 -0.569 50 20 IBGD O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788678174 OOXYLLHXAXZALH-ZXUJOAJASA-N 439.277 -0.328 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n[nH]1 1788691810 PMXOFPMPHGQCAM-KKXDTOCCSA-N 441.492 -0.447 50 20 IBGD COCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190116 KXTHEGLYAMGHRJ-ACDBMABISA-N 448.325 -0.312 50 20 IBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1798260993 GJURKDVSJFOOTA-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ccnn12 1799903761 HIBMDTNWBJUDPO-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD CN1CC(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)C1 1810308657 LOKLFHAKICEIOB-KXBFYZLASA-N 437.504 -0.039 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)ncn1)CC2)c1ccc(B(O)O)cc1 1815337346 RVMMMHVZAHXMSI-GFCCVEGCSA-N 439.262 -0.142 50 20 IBGD CN[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1)C(=O)O 1822414297 RKJHAMHTXVRSNM-UONOGXRCSA-N 437.501 -0.163 50 20 IBGD CN[C@@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C(=O)O 1826085247 LDNJVYLZCVQACB-PWSUYJOCSA-N 440.526 -0.509 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cscn1)CCO2 1834255556 PTIFBGMVFASSAI-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835735783 KYLWVBRIJDGFQT-XNJGSVPQSA-N 449.346 -0.933 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835929288 JLLSRCHLYUEBBY-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459312 CFDIITKTPNYCCD-KXBFYZLASA-N 439.900 -0.228 50 20 IBGD N=C(N)SCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837826119 DUIIIXCFLZFBIO-UHFFFAOYSA-N 448.354 -0.395 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840150469 LMEMBNUHOGEOLX-CXAGYDPISA-N 438.930 -0.397 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840185155 LSCSFFYBZAFHIX-NRFANRHFSA-N 449.508 -0.841 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551273 SVFVNRBTIPRDSF-CZUORRHYSA-N 426.919 -0.869 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1840832415 VVYRXRVIHRTFQC-VSIOZEBNSA-N 445.476 -0.444 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C[C@@H](C)O1 732264622 VVVHYYGNJCGXQW-XNJGSVPQSA-N 434.472 -0.108 50 20 IBGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 733335825 DLTJWUXOVXIHDY-LLVKDONJSA-N 432.528 -0.652 50 20 IBGD Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 738860800 PIJLAMKANAUSPF-UHFFFAOYSA-N 425.401 -0.441 50 20 IBGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 749353938 CWVMBRCLOOFCGV-XJKSGUPXSA-N 439.469 -0.128 50 20 IBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 751204677 LXIVYMHSXYLWAN-LJQANCHMSA-N 431.380 -0.237 50 20 IBGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)Nc1ccccn1 758835363 ZCTBYQVJIKASPA-CYBMUJFWSA-N 425.401 -0.008 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CC 763441212 IRMNERCJMDZBAW-UHFFFAOYSA-N 428.467 -0.398 50 20 IBGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 764233338 UYBWASQJNJOAMB-SNVBAGLBSA-N 428.496 -0.675 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)Oc2ccc(F)cc2)n(C)c1=O 766636002 LAFGGPIKUKXEFO-UHFFFAOYSA-N 432.412 -0.422 50 20 IBGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CN(C)CCO1 770436935 DIIVPRJEXXHVDT-GDBMZVCRSA-N 441.558 -0.637 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2COCCN2CC(F)F)cc1OC 786963252 YSSOPCHJJIRDOB-GFCCVEGCSA-N 431.392 -0.026 50 20 IBGD O=C1CN(c2ccnc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)c2)CCN1 787237001 YENAERNGGGVQNW-UHFFFAOYSA-N 446.327 -0.542 50 20 IBGD C[C@@]1(CCCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)NC(=O)NC1=O 801432597 QKKMHWDCPNBJNX-DJJJIMSYSA-N 434.405 -0.715 50 20 IBGD Cn1ncc(I)c1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1324189941 SYMDVGFLMIHZEI-LURJTMIESA-N 427.224 -0.844 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779204586 GDZHBZRHDWJIJN-FQEVSTJZSA-N 432.481 -0.777 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779349128 QQGOCKZBBVIZFC-OAQYLSRUSA-N 448.524 -0.259 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779417848 NZVBVTUVRPIEMM-OSGQAZFXSA-N 433.933 -0.595 50 20 IBGD CCOC(CC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)OCC 1784166946 PLFBILMXMKWRIF-HXUWFJFHSA-N 428.530 -0.022 50 20 IBGD Cc1nocc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610712 QOWMOQNMNAMJFV-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD O=C(NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)c1cccnc1 1794224984 OTYFRLFSROXEMY-REPLKXPHSA-N 436.277 -0.557 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1801012679 VOZNETNLFUTEFS-YYYYNJOWSA-N 449.552 -0.650 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CCN1 1822479063 NVEAGTYICJSYHE-WMLDXEAASA-N 439.281 -0.078 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1830733579 PVCFCLOGPJNBRB-MFCZKXCZSA-N 443.928 -0.557 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831893736 OMZYGJLMTCZNBW-KXBFYZLASA-N 427.885 -0.291 50 20 IBGD CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)no1 1832784003 SZIKGNBZMZMGAQ-SCLBCKFNSA-N 430.889 -0.208 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cc(O)n[nH]1 1834769502 LCRURCXSMOTVKH-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835592576 QLUDAHDNCLARAC-LFRPXUGBSA-N 448.524 -0.872 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934328 VRTMLDAKZFFODT-OAQYLSRUSA-N 432.282 -0.948 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1837701840 XOBLNIPWPKCVTI-KFNAQCHYSA-N 436.278 -0.176 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)C(=O)O 1839152335 WOZGZFSQAGETIA-OAUYIBNBSA-N 440.324 -0.258 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839516380 OMICLMYOINLMPJ-KBXCAEBGSA-N 428.873 -0.665 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840184839 GBRYLUWQIZNIAZ-OAQYLSRUSA-N 448.524 -0.761 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1)NC(=O)NCc1ccccc1 1842354794 NUVCLWRJCFIMGC-UHFFFAOYSA-N 440.508 -0.022 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1C 736308087 IKXCSZTVXUBCNP-UHFFFAOYSA-N 437.566 -0.144 50 20 IBGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756819809 CPSDVTUETLTOCK-CYBMUJFWSA-N 442.542 -0.073 50 20 IBGD COC(=O)c1cn([C@@H]2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)nn1 760655844 JTVMHCXAWSGOOD-CYBMUJFWSA-N 426.397 -0.658 50 20 IBGD COc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1OC 764432013 HZFHIOOTRAKHST-CQSZACIVSA-N 433.421 -0.550 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1=O 771276332 WNTXUAYKZKWXFM-DJJJIMSYSA-N 438.506 -0.046 50 20 IBGD COc1ccc(-n2cnnc2SCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 818950174 PWEFPDBMIWVJBO-NSHDSACASA-N 425.492 -0.050 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 917106988 RDRKSLQHHIVRMS-GFCCVEGCSA-N 446.913 -0.655 50 20 IBGD CCOCCO[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918141371 PPWVKDKONIITHN-AWEZNQCLSA-N 429.495 -0.090 50 20 IBGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884397 FNBNXLXPCHMROO-KBPBESRZSA-N 425.446 -0.578 50 20 IBGD Cn1ncc(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1Cl 1779861842 MZUUKRANURHYEL-LJQANCHMSA-N 447.883 -0.171 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781633815 AJTICYPLFDHNDD-NRFANRHFSA-N 428.225 -0.032 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782170814 ZHWMRODWKQFFPB-SQGPQFPESA-N 438.717 -0.252 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1784444828 GUCJKELDZBKNCG-HRAATJIYSA-N 426.282 -0.424 50 20 IBGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784641865 FZWSWFJRIPTXTF-WDSOQIARSA-N 445.325 -0.878 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1784813037 KORJYSIKZDVCOC-VFNWGFHPSA-N 431.493 -0.055 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nn1C 1794723049 HSSVZIXEUBJGAS-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441693 RBHMULLPEVTERP-ASFMSOSWSA-N 444.492 -0.599 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1796445460 ATZAXVKBZSPZOY-ASFMSOSWSA-N 444.492 -0.764 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc2ccccn12 1796952009 IESQYEHIDVUDGF-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc2[nH]ncc2c1 1797344897 OMXVRGCXSKKWBS-ALXJQNPVSA-N 435.249 -0.845 50 20 IBGD COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797752784 HLHNZPJRAPUCGP-ZSBFGKGUSA-N 442.476 -0.323 50 20 IBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1799274697 FZPBHVHUQGXERZ-YDXZUZSKSA-N 443.291 -0.143 50 20 IBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)c(=O)nc1O 1799349715 BWAMXIJYAKUTHJ-LYIQGSDWSA-N 447.261 -0.463 50 20 IBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)c(=O)nc1O 1800763833 MITLAZJKGWIZBA-FMSGJZPZSA-N 443.298 -0.370 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014437 RBBHIUIYVCWLPV-RCJHGTSTSA-N 425.530 -0.746 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1807373022 MBPVJOZKEHQMSE-UWVAXJGDSA-N 436.277 -0.783 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831588333 AMUGFTAVFCKTJO-CBNMVNINSA-N 447.467 -0.353 50 20 IBGD O=C(Cn1ccncc1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202687 MSIRUUZPCCYYCT-HOCLYGCPSA-N 447.261 -0.610 50 20 IBGD C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839887575 JGKTYAFTPAIEJW-LJQANCHMSA-N 438.236 -0.352 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840186008 YJTBTGVMKKDSGJ-HXUWFJFHSA-N 432.481 -0.671 50 20 IBGD O=C(C(Cl)Cl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840189930 UFDCKVDXLQPYLS-XHDPSFHLSA-N 429.322 -0.176 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1OCC(=O)O 726155707 XDZNQOGUKGRWNG-LLVKDONJSA-N 435.480 -0.554 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 728210732 NHGZPWCCYKERGE-CYBMUJFWSA-N 426.499 -0.803 50 20 IBGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(F)c1Cl 741657096 OERDLHLABBGYIQ-RXMQYKEDSA-N 448.857 -0.176 50 20 IBGD CS(=O)(=O)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 747623410 BOQAGFJKBVFWHT-UHFFFAOYSA-N 444.535 -0.151 50 20 IBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)N1CCCC1 748246825 PWUIIDLBTYGDGF-UHFFFAOYSA-N 426.470 -0.004 50 20 IBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)CN1CC(=O)NNC(=O)C(C)(C)C 750113343 FEJVDFKDKPKJGA-OKILXGFUSA-N 426.562 -0.232 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c2ccccc2c1=O 756078932 DTTJUOFMLMAUNN-UHFFFAOYSA-N 447.477 -0.550 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 758042908 BWPQRXCQUQOLIQ-KBPBESRZSA-N 426.495 -0.611 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 764325903 XBATWXZOXHHSPA-KGENOOAVSA-N 425.467 -0.378 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCOCc2ccccc2)n(C)c1=O 765729215 VLQGFHNIVNYJRX-UHFFFAOYSA-N 428.449 -0.422 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)n1 778909459 HNCJUJLODGKIOP-UHFFFAOYSA-N 443.507 -0.413 50 20 IBGD CCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)[C@H](C)C1 805772992 QIKLDGNCZAHUJR-CYBMUJFWSA-N 428.511 -0.179 50 20 IBGD C=CCNC(=S)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1317716464 IEGRENAVQSESRP-CYBMUJFWSA-N 428.536 -0.090 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1318321270 WEOMYALFWFJLIP-AWEZNQCLSA-N 439.542 -0.305 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382688 PLACCWOWQVIABB-DJJJIMSYSA-N 439.900 -0.286 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415680 NXQGDRHIASKGIW-IBGZPJMESA-N 428.210 -0.640 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784490451 WMXODJHTDDJRPS-OPAMFIHVSA-N 439.277 -0.328 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C1(O)CCC1 1786981999 LBDDUGWTDGANLM-CBVHJVASSA-N 430.310 -0.489 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787480576 VIFWXXCXUFSBBS-AVGNSLFASA-N 437.457 -0.716 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncon3)[C@H]2C1 1789085639 CWODFXIVFTXXFX-AVVUYLBOSA-N 429.437 -0.203 50 20 IBGD Cn1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1795769363 FCEHKLNTLYDDOD-CCWDJLKJSA-N 441.492 -0.745 50 20 IBGD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cn2[nH]cnc(=O)c12 1796191882 KJAGUWVQRBOYJG-BJWYYQGGSA-N 449.276 -0.424 50 20 IBGD COC(OC)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362034 YSCNMZAPCNIBIU-FUHWJXTLSA-N 427.266 -0.300 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815777894 KBSYGXJXTSNOKR-JTQLQIEISA-N 441.477 -0.341 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1830364739 SDDHAPMYWQDWCV-BEFAXECRSA-N 433.933 -0.642 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1830537052 AWSKYBJGLRUQRR-DYVFJYSZSA-N 446.346 -0.686 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccns1)CCO2 1833773334 UWDHULKTODJYTD-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cc1 1835931338 NBDJOFJYPKKYNX-QHCPKHFHSA-N 449.272 -0.378 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836013135 PNRWMMRLQHWOLS-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711521 KZSVMDGTXHRZIQ-KDOFPFPSSA-N 430.578 -0.259 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840036174 HHESHAZTQNQMGS-DYVFJYSZSA-N 449.346 -0.401 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841298845 GKWWCXVQPQGENG-MRXNPFEDSA-N 447.297 -0.931 50 20 IBGD CN1CCCn2nc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2C1 1845726467 PYBJPTUECPABRT-UHFFFAOYSA-N 437.309 -0.471 50 20 IBGD NC(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728334563 ZZRIZXJCZPNDGN-INIZCTEOSA-N 429.385 -0.305 50 20 IBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 748673872 HGWNYQREJVUJKM-UHFFFAOYSA-N 447.539 -0.266 50 20 IBGD CN1CC[C@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc21 750788679 OCJUOTABGSDCSP-ZDUSSCGKSA-N 425.449 -0.795 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1F 755967456 LXQRGCYEPTYZLV-SSDOTTSWSA-N 443.862 -0.055 50 20 IBGD Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 756823733 PDPSRNGGUOVVTJ-UHFFFAOYSA-N 449.415 -0.296 50 20 IBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)COc1ccc(Br)cc1 758152663 ZYFGYBVZQXLSKB-UHFFFAOYSA-N 438.300 -0.069 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)OC(C)(C)C 764228072 UPMIOPMFRFJUST-SNVBAGLBSA-N 428.467 -0.335 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Br)cnc1-n1cccn1 764425360 OWTUAOZZCKOMMB-NSHDSACASA-N 439.226 -0.469 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778519844 YPVOUBNCTJTYDQ-UHFFFAOYSA-N 428.467 -0.160 50 20 IBGD C[C@@H](C(=O)NNC(=O)CNC(=O)OCc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 794061507 HRWBTWWLKDYJPS-WEBKGQRMSA-N 444.444 -0.389 50 20 IBGD COc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c(OC)c1 800573351 IWYWITFKDODFOZ-UHFFFAOYSA-N 445.436 -0.388 50 20 IBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 914459705 DFUFEIUWUKUEPW-HNNXBMFYSA-N 438.506 -0.273 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccc(Cl)nc1 918597070 GFHLGMTYLQPJDQ-UHFFFAOYSA-N 425.810 -0.249 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1322948196 DXUBRTMSOOVECB-GFCCVEGCSA-N 446.555 -0.486 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779876662 BPDGOLCWWNKTGR-INIZCTEOSA-N 426.271 -0.196 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781662050 VFTWKVPJGLJEST-OAQYLSRUSA-N 428.225 -0.032 50 20 IBGD Nc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)s1 1786984435 LRONLXBHNLSTHF-QEJZJMRPSA-N 430.295 -0.688 50 20 IBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc1 1787759428 XJRXNKICCSSBNI-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)Br)CC1 1800759515 TWHAOKAQFCMFFH-FAYQHZLMSA-N 445.358 -0.477 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnnn2C)[C@H]1c1cccnc1 1804745523 AEBHCQOZWQGAFE-DNVCBOLYSA-N 428.497 -0.097 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367167 QZMCDBYYHFIVJE-PXNSSMCTSA-N 427.266 -0.910 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nn1)CC2)c1cccc(B(O)O)c1 1815354792 DVWALXMZHOUQIS-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025655 HQCJFVWTAAUGKX-LIRRHRJNSA-N 427.885 -0.225 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1)c1ccc(B(O)O)cc1 1834799009 JKRHRHZVCUGPGT-FQEVSTJZSA-N 429.326 -0.269 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199934 AGQQVNGMSRPMHY-AXAPSJFSSA-N 436.278 -0.176 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840155176 RTMOBTHTZFOTMV-DNVCBOLYSA-N 442.900 -0.011 50 20 IBGD Cc1cn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c(=O)nc1O 1840190347 SAVBUPJWMJBESA-KRWDZBQOSA-N 449.291 -0.483 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCC(=O)N2CCCC2)C1 1841874992 QSPOYOIPENLHAX-UHFFFAOYSA-N 428.493 -0.095 50 20 IBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)C[C@H](C)O1 728956914 AZJWSUWYFGBJOM-GJZGRUSLSA-N 440.526 -0.664 50 20 IBGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2O1 751537956 FFJQPKYKDRQJGO-IINYFYTJSA-N 432.476 -0.703 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccccn1 758837399 AXQYFYKZBBKVCR-LBPRGKRZSA-N 425.401 -0.008 50 20 IBGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764151968 BDFQCCYXDUOXTC-INIZCTEOSA-N 448.457 -0.042 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 764231113 MOSYXACNOFVPNJ-ZCFIWIBFSA-N 428.801 -0.035 50 20 IBGD COc1cc2c(cc1C=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)O[C@@H](C)C2 764812678 ODPPDLPWCZZPOG-NSHDSACASA-N 426.433 -0.084 50 20 IBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637117 XQDNFUXIMLEHRP-IBGZPJMESA-N 447.561 -0.454 50 20 IBGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 779696390 MDMJCUXJMDTNBN-UHFFFAOYSA-N 438.554 -0.580 50 20 IBGD CN(C)N(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 786761721 QFVMJEDODJWUEW-SMDDNHRTSA-N 430.914 -0.194 50 20 IBGD CNC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1OC 793450907 PJIUVPQXEWTFBW-SECBINFHSA-N 442.885 -0.128 50 20 IBGD CCCc1nnc(SCC(=O)N2CCN(S(=O)(=O)CBr)CC2)n1N 813509765 DRAMXQQQYDJPFU-UHFFFAOYSA-N 441.377 -0.137 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C(=O)C1=O 916124902 ICWLEXNFOPWWFV-UHFFFAOYSA-N 428.449 -0.571 50 20 IBGD C[C@@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916464712 WZSNMCUATVZJJM-AWEZNQCLSA-N 436.494 -0.063 50 20 IBGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)N[C@H]1CCS(=O)(=O)C1 1115892737 KHBVUQZUGNWVEX-ZDUSSCGKSA-N 434.478 -0.649 50 20 IBGD O=C(CC1(O)CCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782779037 RWNLVGNPMDYGBH-WIYYLYMNSA-N 430.310 -0.201 50 20 IBGD O=C(CCN1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786578004 QVUYFJWDFHBJDE-JBACZVJFSA-N 443.353 -0.164 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4nccc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979620 DUMGWASSXVNPRC-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)no1 1786981019 MLMDVKBCVATGER-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C[C@@H]21)c1cccc(B(O)O)c1 1786985169 OWLDEQGSFUHLOG-SOGVPGBCSA-N 428.319 -0.165 50 20 IBGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1790718364 GUZHLZOFCROSMR-SZMVWBNQSA-N 444.293 -0.697 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CNc2ccccc21 1795616329 GBLCAHFQOZJEFV-MNDZRTMASA-N 435.289 -0.221 50 20 IBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1796391038 VZEFWUCIAHVJKY-QKGCVVFFSA-N 449.932 -0.285 50 20 IBGD CN1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748666 QQXLLARJOBRRKU-DACLVMHWSA-N 430.509 -0.627 50 20 IBGD O=C(Cc1cn2c(nc1=O)SCC2)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799072348 JVSUFNMUTYFUFE-XFMPKHEZSA-N 442.925 -0.919 50 20 IBGD CN(C)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299843 UPSCDQQKVHHGOS-DNVCBOLYSA-N 425.493 -0.039 50 20 IBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813264486 FADRPUKVHRKNDY-VQIMIIECSA-N 440.265 -0.563 50 20 IBGD O=C(c1cncn1-c1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726102 UUBPKHUFQFQOEG-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831512771 WCIJKSGWBVMCQD-OXTHUFEASA-N 449.508 -0.838 50 20 IBGD C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832451421 BFUDNASLQOEFHN-FQEVSTJZSA-N 434.323 -0.644 50 20 IBGD COC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834436660 ZZZNONZCBJPPAP-UHFFFAOYSA-N 439.557 -0.116 50 20 IBGD O=C(CC(F)(F)F)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835331104 CQFWKFNACBESCO-QGZVFWFLSA-N 430.188 -0.611 50 20 IBGD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1835931362 OMCKGHXISSNYJF-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)no1 1837547380 BUWYNKAWFYBMIX-RHSMWYFYSA-N 432.836 -0.296 50 20 IBGD O=C(C(Cl)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839784960 BIPHRCHVQGLMJT-NHYWBVRUSA-N 429.322 -0.176 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840155556 FBVDVAWNXRBBHE-ACJLOTCBSA-N 444.872 -0.729 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840561510 NLMVJEHQIAAIDF-FQEVSTJZSA-N 431.449 -0.941 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840941070 UCJQMSXZJZUPQZ-NRFANRHFSA-N 439.557 -0.698 50 20 IBGD O=C(Cn1ccc(=O)[nH]c1=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 16178503 UEKPBJRCXZHWBU-UHFFFAOYSA-N 449.470 -0.140 50 20 IBGD NC(=O)c1ccccc1OCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 729928318 KZXNMJGJUOHNDH-INIZCTEOSA-N 429.385 -0.305 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]nc2-c2ccccc2F)n(C)c1=O 766645639 UYBHQECKASXJNH-UHFFFAOYSA-N 440.395 -0.576 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 806541624 GJUOPNWKDDVUQK-QMMMGPOBSA-N 425.464 -0.834 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1CCc2nncn2C1 816882146 YJLXADFKQGFJHG-LBPRGKRZSA-N 435.462 -0.377 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090728 MFFBUGPACPFCKX-LXFSFDBISA-N 449.932 -0.549 50 20 IBGD C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978665 ITACTECCAXBTPS-IHPCNDPISA-N 430.310 -0.058 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(F)nc1 1788839492 FMBYYHBNVYNLTD-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1793202247 XMCBUFPPGZLXRO-CWPLJXCYSA-N 444.536 -0.380 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CNc2ccccc21 1795616330 GBLCAHFQOZJEFV-NNNWTRQLSA-N 435.289 -0.221 50 20 IBGD Cc1ccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795734741 NIUJWGQAJZGKLS-OPMZPASUSA-N 438.289 -0.043 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740491 BEOYSPJCHNFTCF-DNVSUFBTSA-N 425.088 -0.647 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nn1 1797751522 CQOYIEWGNLWRLC-DPIQGUFMSA-N 441.448 -0.999 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798263891 AZRMYGLAKQTLNP-PPHIPKRZSA-N 448.480 -0.177 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nc2nccn12 1799988031 WMBWXWKFLCJNAK-HGKCTWBKSA-N 449.276 -0.765 50 20 IBGD CCOC(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)OCC 1801145972 MPJYTKAJCAVCBZ-CWPLJXCYSA-N 434.298 -0.641 50 20 IBGD O=C1C[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CCN1 1809980571 WCUAMTQRVNMXQT-QGZVFWFLSA-N 427.310 -0.263 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1826004787 QVEJRRFSYQBKSD-NEPJUHHUSA-N 434.946 -0.405 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1830705766 MNXWDIZLGLBPQX-NRTGNBEESA-N 432.901 -0.368 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731443 LMCKAFCSIRJOQT-VBDKDBDFSA-N 433.889 -0.429 50 20 IBGD Cn1cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833907909 LGIPYSVBCIYRAF-NRFANRHFSA-N 427.266 -0.911 50 20 IBGD C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940014 SQHYFMUQFZGESQ-JOCHJYFZSA-N 428.294 -0.370 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837384883 KYVNAGFDUZTFHH-BDJLRTHQSA-N 425.313 -0.046 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457158 YMMHDMUMCMCZCO-BTYIYWSLSA-N 447.492 -0.654 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182270 CGCPBDOEXAKMSC-CVAIRZPRSA-N 428.530 -0.777 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840371255 XQTXKHGGNOCWKA-RKVPGOIHSA-N 445.879 -0.552 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1844264540 GDXDRKKQFJPXIR-UHFFFAOYSA-N 448.443 -0.781 50 20 IBGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)CNC(=O)c3ccco3)cc(C3CC3)nc21 725740872 JJOAIZKHYIKFPM-UHFFFAOYSA-N 426.389 -0.305 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730456894 FTHOBZSQVHNNMB-HOTGVXAUSA-N 443.547 -0.190 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc(Cl)c1 745484652 WZFPZGKTWCRTBV-MPTQWLOMSA-N 435.820 -0.193 50 20 IBGD O=C(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)NNC(=O)c1ccccc1 753640426 OAZWVARLJLTOLL-ZDUSSCGKSA-N 436.446 -0.844 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 763618588 CPPOMZMHWDOOBW-UHFFFAOYSA-N 430.465 -0.311 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1-n1cnnn1 764006079 KPAMULXWIWUSDS-UHFFFAOYSA-N 439.388 -0.158 50 20 IBGD Cc1nc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)nn1-c1n[nH]c(C(F)(F)F)n1 778443461 SMMCNAONGQNMGG-UHFFFAOYSA-N 433.351 -0.002 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2COCCN2CC(F)F)cc1OC 786963259 YSSOPCHJJIRDOB-LBPRGKRZSA-N 431.392 -0.026 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)c1 913465070 BSPGCPYGLNMRKP-UHFFFAOYSA-N 444.466 -0.202 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCOCC2)o1 914708951 KMDXXYYMFJPZTH-HNNXBMFYSA-N 437.430 -0.099 50 20 IBGD C[C@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916464713 WZSNMCUATVZJJM-CQSZACIVSA-N 436.494 -0.063 50 20 IBGD COCCN1C(=O)/C(=C\NNC(=O)C2CCN(c3ncccn3)CC2)C(=O)NC1=S 1318257143 DBQARQOGXHKSDA-QBFSEMIESA-N 433.494 -0.913 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778047386 BSONJZCNPRMVMU-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779223797 YHRCZRRMXMZGQR-VBKZILBWSA-N 442.480 -0.944 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782441284 UKDOHBHVUBBDIT-NRFANRHFSA-N 432.525 -0.275 50 20 IBGD O=C(CCn1ccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782564076 GBWBFLQDAVVYPJ-WIYYLYMNSA-N 441.297 -0.824 50 20 IBGD Nc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)s1 1786933282 TZLMQBYMVOIFRX-QEJZJMRPSA-N 430.295 -0.688 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798574669 KMMMVYFWQZJBQF-APIJFGDWSA-N 426.481 -0.135 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801369521 UYLAFVBAXCSDHF-IHSNIMORSA-N 433.509 -0.189 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1807364247 STLKNCIPYUQSTO-SJLPKXTDSA-N 434.265 -0.477 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1813071035 MGCCKQRAGKXFQU-OXQOHEQNSA-N 444.540 -0.700 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814054533 RKCGJOLUEXGRCU-ZANVPECISA-N 443.489 -0.354 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nn1)CC2)c1cccc(B(O)O)c1 1815354791 DVWALXMZHOUQIS-GFCCVEGCSA-N 439.262 -0.142 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817107697 UNQXNQMXGZCJEQ-VIFPVBQESA-N 449.493 -0.057 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1830535824 UAUOJNDZHRUBOZ-WBMJQRKESA-N 430.303 -0.084 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831433319 HNHPMEPFAJVGLH-OXJNMPFZSA-N 426.514 -0.593 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836677184 WDDRTBMKHQTXKC-MAUKXSAKSA-N 447.374 -0.526 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839718495 XYNZCAXDJWLEHK-RHSMWYFYSA-N 446.819 -0.253 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840153792 ZPWXAQOVMNWVGE-CXAGYDPISA-N 436.962 -0.819 50 20 IBGD O=C([C@@H]1CC[C@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012010 UZLREBBUCARAER-AEFFLSMTSA-N 425.294 -0.416 50 20 IBGD O=C(CCCCCCC(=O)NNC(=O)N1CCOCC1)NNC(=O)N1CCOCC1 729842266 XJKRSEPAOLQJOO-UHFFFAOYSA-N 428.490 -0.527 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)C(=O)CCC3)n(C)c1=O 756883352 SFDBZZMXKLGQCF-UHFFFAOYSA-N 439.432 -0.194 50 20 IBGD CCCCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227355 NPAQKWCYOULBBO-NSHDSACASA-N 430.483 -0.102 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNc2ccccc2OC)c1 764319456 FJNODQWXOHLCLT-UHFFFAOYSA-N 425.467 -0.179 50 20 IBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778437074 ULITUCUWWXWHJB-UHFFFAOYSA-N 442.494 -0.166 50 20 IBGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)C(C)(C)c1ccccc1)C2 786118557 WUTFPGBVVGFWLP-UHFFFAOYSA-N 429.481 -0.333 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 789735243 NIBXHDRXWVMTLX-QMMMGPOBSA-N 444.420 -0.611 50 20 IBGD Cn1nccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1321457891 DUBYPCAKTIEMKY-UHFFFAOYSA-N 429.480 -0.936 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779103732 ADZVJXAQZYYFGM-CRESJJQNSA-N 445.281 -0.661 50 20 IBGD COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784093859 HLOZLVPYINIXTP-QAETUUGQSA-N 436.933 -0.365 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784621807 QVRAWFSVXWORPC-BTFLMBNSSA-N 437.460 -0.368 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(O)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786986600 OSMQPJBQUNJCBK-JVPBZIDWSA-N 425.250 -0.626 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1C 1787673185 HIGWTXJJEZMMHA-VDGAXYAQSA-N 425.294 -0.080 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccn2nccc12 1790398687 IUTYTNKSGZPDIT-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD O=C(CCc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791659539 HDOFEKBYLLRZPQ-VDGAXYAQSA-N 438.293 -0.618 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1796441337 ANQMPVPBYGBRHH-IGRYJHFFSA-N 429.437 -0.548 50 20 IBGD O=C(CS[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797791160 FUJQYWBWHKUMLT-WOUAJJJCSA-N 448.350 -0.171 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1801011856 LXUHRQPWYQLJIR-DDFAGTSDSA-N 447.418 -0.600 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802334910 SBHKWUGMAUJXTM-APIJFGDWSA-N 431.559 -0.675 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807196267 TVMJYNXCFQMEMB-JXXFODFXSA-N 447.540 -0.947 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1832679705 AICNLQHGQSBWDJ-NRFANRHFSA-N 449.508 -0.710 50 20 IBGD CC(C)(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833285113 FPRULXFIGNARMY-HXUWFJFHSA-N 445.369 -0.041 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834608673 VCSLTDBNULCIMA-FQEVSTJZSA-N 436.465 -0.917 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837320179 SGKSBCWUJYSVBR-NHYWBVRUSA-N 446.806 -0.198 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670458 JCXDQXOHQIHCGO-UGSOOPFHSA-N 444.872 -0.729 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1843416563 XYAUUQCSOGVDEL-BRJLIKDPSA-N 438.448 -0.474 50 20 IBGD COc1ccc(NC(=S)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 727499787 PJAOAKOMZDCXSM-UHFFFAOYSA-N 449.468 -0.011 50 20 IBGD CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 732408830 QLOWPHNBBKKMGV-DKRLNXSXSA-N 440.412 -0.015 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1 745354346 UMIBIEFIQHJMHR-JTQLQIEISA-N 443.507 -0.230 50 20 IBGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(N)=O 746093608 RKAFAQGQXPCBAC-HNNXBMFYSA-N 439.494 -0.998 50 20 IBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755535911 ZTYPNZCVUZFQEH-NSHDSACASA-N 447.539 -0.410 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 764278371 XLNRUQFHKZASEZ-UHFFFAOYSA-N 448.457 -0.002 50 20 IBGD NS(=O)(=O)c1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 807966508 MSGQIOLGSAYCMA-SECBINFHSA-N 439.313 -0.083 50 20 IBGD C=CCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 920213569 HSUXRJYIZCPMBZ-UHFFFAOYSA-N 425.536 -0.166 50 20 IBGD CN(C)C(=O)CCN1CCC(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 1322627271 YCZIBMCWGNOFLT-UHFFFAOYSA-N 429.485 -0.451 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779614587 LGYWEVLBOMENEI-IBGZPJMESA-N 434.208 -0.285 50 20 IBGD COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1784261140 YAYWKELYOQZSJN-PPRFWAEMSA-N 434.453 -0.694 50 20 IBGD N=C(N)SCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610736 RQHIBVJPJASKCT-CQDKDKBSSA-N 449.537 -0.705 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288007 MVLPEUSOYBHTTE-ULQDDVLXSA-N 439.557 -0.499 50 20 IBGD Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794120720 YAGRWLOZYXAZOJ-XEMDLRDOSA-N 426.282 -0.917 50 20 IBGD Cc1ccc(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795740653 GQJJGGCXNOCCDF-OPVJXMOQSA-N 436.273 -0.239 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1807365199 SNCAHLALAKFHNZ-IMFGXOCKSA-N 436.277 -0.640 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@H]3COC[C@H]31)CC2)c1ccc(B(O)O)cc1 1815347591 FTLMFSQULIZLLM-WVZRYYJFSA-N 427.291 -0.059 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475015 JRZSVQMAWUQRAH-MRXNPFEDSA-N 448.310 -0.170 50 20 IBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1)c1ccc(B(O)O)cc1 1821697593 MUWOGZKAFKMKOV-GFCCVEGCSA-N 442.262 -0.157 50 20 IBGD CC(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833345109 DNKWPGCLKFZBCB-FQEVSTJZSA-N 431.342 -0.432 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836150754 WWRNTPUIWCQNQY-IUODEOHRSA-N 431.291 -0.697 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)o1 1837448176 CQSJFGQHXFPJOP-ACJLOTCBSA-N 429.857 -0.092 50 20 IBGD COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456686 PHAVXLHGCVHTHS-XOBRGWDASA-N 435.481 -0.962 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838634235 FSJAFPHRXNHDNH-INIZCTEOSA-N 429.271 -0.375 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664731 FTZWYJASBTYUMU-GUYCJALGSA-N 443.298 -0.517 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839956214 IRWLVFSTXQZEQE-QKLQHJQFSA-N 426.897 -0.354 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1840186040 WWBVOLWLECTPPO-HNNXBMFYSA-N 426.848 -0.353 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn(C)c2)cc1OCC 735472897 GOSJCPPPRFEFRF-UHFFFAOYSA-N 425.467 -0.043 50 20 IBGD COc1cc(N2C[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)cc(OC)c1OC 748241268 RPNXVBVHANYLFW-GFCCVEGCSA-N 434.449 -0.165 50 20 IBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 755957286 MLJWBYRENLGDJF-UHFFFAOYSA-N 446.482 -0.034 50 20 IBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763865599 LUBALMHGZQRWSS-AWEZNQCLSA-N 448.455 -0.092 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Br)cn2)n(C)c1=O 765725912 VMOVKOZMBBBBSN-UHFFFAOYSA-N 436.226 -0.948 50 20 IBGD Cn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(=O)n(C)c1=O 765754994 BCVKGQFSFMGYEP-UHFFFAOYSA-N 448.911 -0.684 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n[nH]1 768281863 RFHAMAZTCKZCEU-UHFFFAOYSA-N 447.477 -0.133 50 20 IBGD CCOc1cc(/C=C/C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1O 780983688 NLEOLPUTOPOFBX-SOFGYWHQSA-N 442.432 -0.601 50 20 IBGD CN(C)N(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCS(=O)(=O)C1 792855888 UYLYSRRJJWOUDC-TZMCWYRMSA-N 444.535 -0.821 50 20 IBGD COc1nccnc1NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806981409 SLYZLAZIJNESNA-OLZOCXBDSA-N 426.433 -0.036 50 20 IBGD CN(C)c1c(C=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(=O)n(C)c(=O)n1C 807948999 DGOGVLBCAYIZLT-UHFFFAOYSA-N 436.494 -0.836 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 815474862 LAPDDAOTFWEYBF-OKILXGFUSA-N 430.373 -0.150 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(N)=O)C2 1778094976 PLIKRDBMBKUZDQ-BBPCXNGUSA-N 446.508 -0.100 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C1(O)CCC1 1779028267 BBOGTDNTGPQVBB-XOBRGWDASA-N 431.493 -0.320 50 20 IBGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029187 NNZXZGKCBZNHEP-HXUWFJFHSA-N 432.481 -0.957 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784351382 YMOKXPPZTHFSJI-KSFYIVLOSA-N 438.293 -0.662 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnn2cccnc12 1788291034 WZMXGPGYOLHOCO-SNRMKQJTSA-N 449.276 -0.684 50 20 IBGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1794048078 SSGAOPQUTUIDPJ-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800641872 KXLGQGZKBYXPEI-WRWGMCAJSA-N 440.298 -0.048 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370689 IUKFADSAYMWWLS-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)n3)C2)CC1 1810887713 PKKIKECNIVOAEV-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1)C(=O)O 1834740084 MYOOTNDJIKDVCC-HZPDHXFCSA-N 432.949 -0.126 50 20 IBGD CC[C@@H](NC)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834790684 OHOAETLZTOCQPF-HXUWFJFHSA-N 430.358 -0.450 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927625 VKCGHAHYNXAVBB-OAQYLSRUSA-N 432.282 -0.948 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939909 NJFSQVCBSHWVSM-YCRPNKLZSA-N 432.282 -0.948 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837411028 UGSYFLSAYANXNI-RXVVDRJESA-N 430.266 -0.871 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839700208 JFONKQGRMBNBCV-QKUWSGOFSA-N 438.550 -0.309 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840153089 COXQTLVMCCENSJ-GLJUWKHASA-N 434.921 -0.596 50 20 IBGD O=C1Nc2c(cccc2C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1=O 1844126382 NSGRMFKYFKSDOE-UHFFFAOYSA-N 433.229 -0.368 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 729276745 LFYCCUNJTUZUAQ-CABCVRRESA-N 440.522 -0.221 50 20 IBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735028818 QPZJDTANNMGNHC-UHFFFAOYSA-N 429.462 -0.420 50 20 IBGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 751281067 YPZNQROCAKMXRL-UHFFFAOYSA-N 446.532 -0.262 50 20 IBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 763563164 PTCNJNFCIOSSTM-UHFFFAOYSA-N 430.870 -0.143 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2O1 763570061 CUMHDVCNPYHRGP-IAGOWNOFSA-N 440.412 -0.486 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12 764229929 FMFTUKSTQSAXQR-MRVPVSSYSA-N 445.404 -0.140 50 20 IBGD Cc1ccc(SCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765721888 NKXRIUUENWFFTP-UHFFFAOYSA-N 430.490 -0.010 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 771446229 GGLNOVCJKAEDSL-UHFFFAOYSA-N 441.329 -0.570 50 20 IBGD CN(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 778438506 UQNFNUDCWYIDQW-UHFFFAOYSA-N 425.467 -0.261 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 779622695 PPALXONNKHKONT-AWEZNQCLSA-N 445.567 -0.732 50 20 IBGD COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1-n1cnnn1 781666588 ROWSVIWGLJHCAV-UHFFFAOYSA-N 445.461 -0.004 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2nnc(-c3ccccn3)s2)n(C)c1=O 788560198 IZQSZAFKFMRCFN-UHFFFAOYSA-N 427.450 -0.119 50 20 IBGD O=C(CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1)NNC(=O)c1cccc(Cl)c1 809988493 KAKWEMIOEBCQLQ-UHFFFAOYSA-N 426.886 -0.169 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 919345232 UZQQBBOFNRULKQ-CQSZACIVSA-N 436.490 -0.521 50 20 IBGD COCCNC(=O)CSc1ccccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317939214 HIRPRAUFIFCFLN-GFCCVEGCSA-N 429.520 -0.263 50 20 IBGD C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784504588 TUMAHUIRJBBAHP-USJZOSNVSA-N 431.493 -0.131 50 20 IBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785149721 PTZLMIMBCYNREM-VLJOUNFMSA-N 445.314 -0.405 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093913 CCQFOYYENGNARZ-RVMXOQNASA-N 425.873 -0.577 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795730152 LCUTWJUWIODIJW-YDXZUZSKSA-N 443.291 -0.143 50 20 IBGD COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1C 1795737553 URRJKJUFIVWELK-IZZQQSIFSA-N 439.277 -0.405 50 20 IBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(C)(C)C 1795737666 HOMTZDPXNLNXSQ-NBMJBFSESA-N 445.325 -0.880 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754190 NKJSBPCAETUTJS-LTCOOKNTSA-N 446.508 -0.807 50 20 IBGD CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)CC1 1818890298 ODVHUEJXAXUUHZ-JSGCOSHPSA-N 443.957 -0.181 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823047042 ZUUZPJQUTBDAAN-HIFRSBDPSA-N 442.306 -0.331 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C3CC3)on1)CCO2 1830199929 RGDKJFDVCHHQNS-NRFANRHFSA-N 449.508 -0.005 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927085 DHZDMFMDVCDZFS-FXAWDEMLSA-N 438.717 -0.156 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836677180 WDDRTBMKHQTXKC-CRAIPNDOSA-N 447.374 -0.526 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1839742260 UTWTXJAEZKUDFR-FZXOMJPYSA-N 437.399 -0.361 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1844263574 RVFLVBKSXWWVDS-UHFFFAOYSA-N 447.345 -0.143 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 726247008 DFZLOADDFWYSJQ-UHFFFAOYSA-N 438.485 -0.108 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cn1C 727012427 DGYQOBOAFZEERF-UHFFFAOYSA-N 443.869 -0.335 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 740852034 IBHPDLYERCUGSK-UHFFFAOYSA-N 425.511 -0.066 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CCCCS2(=O)=O)c1 753275553 UVZNMEABXQYLQX-CQSZACIVSA-N 432.524 -0.152 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)n(C)c1=O 756222031 KJXHPLHSUGGKIQ-UHFFFAOYSA-N 443.420 -0.206 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 760814212 YVPSFQZZXINQGC-CHWSQXEVSA-N 446.526 -0.526 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 763734249 IUIDGZRBKFOWQG-UHFFFAOYSA-N 447.477 -0.488 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 787883737 XWDSFKQAUXMKQM-VXGBXAGGSA-N 432.437 -0.022 50 20 IBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1C 914688814 ABIJDPLKLTXFJZ-UHFFFAOYSA-N 443.507 -0.742 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1779031826 ZKRGLXRCQFPZOT-AVRDEDQJSA-N 439.472 -0.138 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1cncn1 1788611043 ITALVGLSGGJNOR-PYTWLRIVSA-N 442.480 -0.869 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1791063386 HDAVNRROEOBMFN-BJDJZHNGSA-N 434.287 -0.708 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cnc2c1 1792981195 FXWNHDZLAGZHJQ-YXPYIKCWSA-N 434.880 -0.194 50 20 IBGD O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)c2N1 1800029491 VJFIWWHWZJMZIM-CWPLJXCYSA-N 449.272 -0.622 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1800973568 FUVIYDDRBGVZAK-FAXLKDOZSA-N 445.925 -0.058 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1807366854 PEPNQBSUVHVSMX-ABSDTBQOSA-N 436.277 -0.783 50 20 IBGD CN[C@@H](CC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1)C(=O)O 1809835152 DMCWDWHKTAHNHP-INIZCTEOSA-N 446.508 -0.407 50 20 IBGD CNC(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793043 IRZKGICITHUZLD-VIFPVBQESA-N 431.478 -0.497 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831645810 GKXUGDHVHVNDKE-FXAWDEMLSA-N 438.717 -0.156 50 20 IBGD CN1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833621625 FBPZCCHPVVOVTE-NRFANRHFSA-N 442.369 -0.354 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833679257 SEVTWXXFEHKUTC-HNNXBMFYSA-N 443.932 -0.636 50 20 IBGD Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1834288184 NIJWNMHJRWUHRY-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)o1 1835935563 UGGHQZLDMRCPIF-QFIPXVFZSA-N 442.277 -0.040 50 20 IBGD O=C(Cn1ccncc1=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836719600 ZYAPWASPRAPUFW-MRXNPFEDSA-N 426.901 -0.158 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1 1838755179 CTTPYKHESQBJSL-KSSFIOAISA-N 429.905 -0.297 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840154053 JKUDVMMNKSJRNQ-BEFAXECRSA-N 427.885 -0.291 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840156360 REYNTFWPBNDUGD-KKXDTOCCSA-N 436.889 -0.688 50 20 IBGD C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182282 DNOPMWQLQJGAAQ-IBGZPJMESA-N 428.555 -0.265 50 20 IBGD O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1COCCO1 746003171 OFUNIPFEIWWUFY-AWEZNQCLSA-N 443.438 -0.943 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1nnc(O)c2ccccc12 746387068 BOYBXXXTAVZSFW-CYBMUJFWSA-N 428.449 -0.723 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(F)c(F)c(F)c2)n(C)c1=O 756709793 QKYDEMNNCYTBAP-UHFFFAOYSA-N 425.327 -0.296 50 20 IBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)CSc3ccccc3O)cnc21 763408094 BSFDUXRYSYONBP-UHFFFAOYSA-N 437.459 -0.159 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 764232106 RDARCSUPZKGSHX-MNOVXSKESA-N 427.508 -0.038 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccccc2Br)n(C)c1=O 765725000 NOIZNDVSZOLTEH-UHFFFAOYSA-N 449.265 -0.414 50 20 IBGD C[C@@H](C1CC1)n1nccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 776020537 WNKFGRVRGHUQFL-JTQLQIEISA-N 429.441 -0.546 50 20 IBGD O=C(CN1CCC[C@H](N2CCCS2(=O)=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 789372841 BTMIWWWSUUODTD-HNNXBMFYSA-N 425.467 -0.144 50 20 IBGD COc1cc2c(cc1S(=O)(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)OCC(=O)N2 797429661 ZLNRYYXRYNQASG-UHFFFAOYSA-N 445.417 -0.375 50 20 IBGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)c2ccccc2c1=O 809932625 AECZSLMZTILARC-UHFFFAOYSA-N 430.446 -0.449 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCc2nc[nH]c2C1 812552999 JCJQKWPQEVJDNJ-CQSZACIVSA-N 448.505 -0.068 50 20 IBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1)[C@H]1C[C@@H]1C 815569360 QBXBAGLZWKUMAI-PGUXBMHVSA-N 439.494 -0.529 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 906369607 RDAHFDNHNPGCNL-OAHLLOKOSA-N 427.460 -0.256 50 20 IBGD O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885799 RIVDUKBZYLRDRQ-LBPRGKRZSA-N 438.487 -0.134 50 20 IBGD Cn1c(=O)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc2ccccc21 1777886380 BMRWWRVBFCLPQL-YWZLYKJASA-N 434.880 -0.023 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778552236 MCIMJSABMPYBHK-NRFANRHFSA-N 440.265 -0.897 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778685135 HFZJWODNNHRDBT-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1779032492 LOPYYMMGVSDSID-HXUWFJFHSA-N 443.464 -0.816 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779400608 OVXWIIOALRVBJJ-WFXMFSGNSA-N 448.900 -0.405 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1787506861 RCBRFMPYPRDRHY-WFLXCYLQSA-N 446.508 -0.388 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1CCC(O)CC1 1791408150 DHNCYQXJRMSFKN-ROQIKNHKSA-N 430.310 -0.489 50 20 IBGD CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792976471 IHWKHHBIWMMBGT-CXHZTBPHSA-N 444.937 -0.178 50 20 IBGD O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800207261 IVXBYLMBSOUKIL-WAYYCVMKSA-N 433.234 -0.159 50 20 IBGD O=C(COCCO)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808599942 HKBGLUBKKGGEMJ-XLIONFOSSA-N 427.266 -0.910 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980011 JYMFCZAPQTWGPM-NRFANRHFSA-N 446.309 -0.173 50 20 IBGD COC[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833525735 WFPBHJWLDBDKKX-INIZCTEOSA-N 431.342 -0.166 50 20 IBGD N=C1NCCN1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822396 LCSZNMNOWRFDJB-MRXNPFEDSA-N 432.319 -0.932 50 20 IBGD Cc1ccoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928175 HBHNCUJLDIVEAT-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3Cl)C2)C1 1835931241 JTCAZQRUVXMASB-FQEVSTJZSA-N 448.668 -0.003 50 20 IBGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)COC1 1840185489 QVHUJYLTPVPSAM-HXUWFJFHSA-N 426.514 -0.758 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@@H](C)O1 741284044 KQYWLINMZLBWQP-HUUCEWRRSA-N 441.529 -0.288 50 20 IBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 744387886 GLWJGXHTIUKMDX-UHFFFAOYSA-N 449.489 -0.546 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755143685 SUPSHNFPGQCJAS-NEPJUHHUSA-N 447.514 -0.980 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C1 758040143 OEIOHYWIXKNNTA-SMDDNHRTSA-N 425.467 -0.731 50 20 IBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)c3ccccc3)cn2)C[C@@H](C)O1 763430352 FPJFZJYCBGLXJA-ZIAGYGMSSA-N 428.449 -0.081 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2F)c2ccccc2O1 763679776 PBULQYUEWVDVEE-MRXNPFEDSA-N 430.392 -0.108 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCc2ccc(Br)cc21 764000572 YLGPREHICRLHIM-SNVBAGLBSA-N 430.280 -0.080 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn1C 765320638 SEODCFVLOJPQSR-UHFFFAOYSA-N 432.503 -0.541 50 20 IBGD Cc1cccc(OCCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765728393 PFQJEUKALKNEGN-UHFFFAOYSA-N 428.449 -0.251 50 20 IBGD NC(=O)c1ccc(NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 786276833 CRWVWEOBPPUGHX-MRXNPFEDSA-N 428.401 -0.272 50 20 IBGD O=C(NNS(=O)(=O)C[C@H]1CCCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 788139533 OFJAMBMKFYYVDA-AWEZNQCLSA-N 447.535 -0.302 50 20 IBGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)N2CCN(C)CC2)CC1 788165742 GPKBZIPJMBRPNG-UHFFFAOYSA-N 428.515 -0.320 50 20 IBGD O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)NNC(=O)c1ccccc1Cl 795464080 KZWSGPCDUPEILN-UHFFFAOYSA-N 437.884 -0.896 50 20 IBGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 914719749 PNPADYQUQWCUDR-CWTRNNRKSA-N 434.474 -0.433 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914829880 DGJZIDZMAGUOBQ-CHWSQXEVSA-N 425.463 -0.500 50 20 IBGD N=C(N)SCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373394 OQUTURUMMBFKAL-AUUYWEPGSA-N 449.537 -0.561 50 20 IBGD Cn1cccc1C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791692819 GKVHDASJXJACQL-IEZWGBDMSA-N 439.277 -0.819 50 20 IBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1O 1792730389 SPDRFWQUSLBMBJ-MFKICJERSA-N 448.520 -0.094 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cn1)C2)c1ccc(B(O)O)cc1 1795734200 IPFBDLNRUIJUSW-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738824 HGGNJDAJDRKUSA-FAYQHZLMSA-N 444.322 -0.473 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1S)C2 1797748072 GLLLYYGPXYOPPG-DRXBFXEBSA-N 442.501 -0.114 50 20 IBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cs1 1797749748 NDXMQHWFWNNWMT-DRXBFXEBSA-N 430.490 -0.033 50 20 IBGD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)n1 1815560736 OZKQPRDFBRGJBR-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820140683 MNENBRDKLDUCCA-BXUZGUMPSA-N 442.306 -0.261 50 20 IBGD CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835889163 NYABTMRPKKXGRK-HXUWFJFHSA-N 427.546 -0.796 50 20 IBGD C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(F)(F)F 1835939904 NHAQNXPYVLIUOF-GOSISDBHSA-N 442.199 -0.445 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1838064154 RLSIAEDKEYFXPH-IBGZPJMESA-N 442.520 -0.175 50 20 IBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cn2[nH]cnc(=O)c12 1838470706 CMPAOHHYDZYJPU-KDOFPFPSSA-N 441.847 -0.065 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839963941 AVVFJCJLRSZXQI-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1840150855 SFLXBONYTJKXTH-AUUYWEPGSA-N 442.900 -0.289 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840185163 MCGWIPWQIYNQQB-NRFANRHFSA-N 433.509 -0.547 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(=O)c1ccccc1 1843010341 GEFWKUVSPHAQCK-UHFFFAOYSA-N 435.289 -0.044 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)COCCO)C1)NC(=O)NCc1ccccc1 1845212695 KIMIYAQZDQKVOQ-UHFFFAOYSA-N 433.509 -0.455 50 20 IBGD Cn1nc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c2ccccc2c1=O 742473918 JZMDCSGAKQIYGE-XOUADPBQSA-N 439.428 -0.753 50 20 IBGD COc1cc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 755427708 CMHFCYWMJWNUQN-UHFFFAOYSA-N 445.436 -0.388 50 20 IBGD CCc1nc2cc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2o1 756621788 SCPIHISGCPXXJY-UHFFFAOYSA-N 440.420 -0.010 50 20 IBGD COc1ncncc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530258 GXRJHXMORGJVAF-UHFFFAOYSA-N 427.465 -0.217 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 764429874 PDMAOWNPEKITRJ-MRXNPFEDSA-N 438.396 -0.012 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(-c2cccs2)[nH]n1 768262642 LAMYTWCOIGCWDP-QWRGUYRKSA-N 437.503 -0.065 50 20 IBGD Cn1nc(SCC(=O)NN=C[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(=O)n(C)c1=O 792957184 CSNCCAHUYYAYNK-BBATYDOGSA-N 438.510 -0.070 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCC(=O)N(C)C)nc2)CC1 919923945 RXOKXGDRNRAHQP-UHFFFAOYSA-N 427.531 -0.488 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1n[nH]c2c1CCCC2 1116290590 KXIGUCHWUDKWPZ-UHFFFAOYSA-N 426.481 -0.032 50 20 IBGD O=C(Cc1cnc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1777992397 FCMRQLOSEIDDGN-WIYYLYMNSA-N 426.282 -0.540 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783872024 ZNRBQESACNLLOA-IQUTYRLHSA-N 449.932 -0.044 50 20 IBGD O=C(C[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784958655 FDMKVTCHDWZYRN-RNQOJCNYSA-N 430.310 -0.081 50 20 IBGD Cc1ncncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788970781 SBVMMONNNTZKDC-KKXDTOCCSA-N 439.476 -0.309 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1789091178 RMOABIGVWKLCMC-SRVKXCTJSA-N 440.298 -0.046 50 20 IBGD COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793116740 SDYIRUUXRPRQSV-YYIAUSFCSA-N 436.933 -0.080 50 20 IBGD CC(C)c1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)co1 1794281689 HWTPLOBHERJODS-JLVBRIDZSA-N 427.266 -0.005 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1Cl)C2)c1cccc(B(O)O)c1 1795740383 ZWOGYPTWWVQZAV-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1796439578 NEUDDVZDCRPUHB-WVNFENISSA-N 439.476 -0.257 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1796891686 FXBCOKBWXUPBRZ-NCBPZONUSA-N 446.508 -0.591 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)Cn3ccnn3)C2)CC1 1810206885 LSXXHQIDOJYIJM-UHFFFAOYSA-N 426.481 -0.178 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815669500 KHICBZIULLPNMR-ZIAGYGMSSA-N 447.945 -0.268 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccn3)CCO2)C1 1833985409 FYWOWVQCXYHDJM-NRFANRHFSA-N 440.460 -0.536 50 20 IBGD Cc1nc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1835192711 WRKRNSFVRCCPCZ-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839533789 HXOYSPFZICNCDA-NRFANRHFSA-N 448.524 -0.728 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840149835 BEXWOKDAOIFMEG-KPZWWZAWSA-N 442.856 -0.501 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1840182542 FWNQBIDOWJHKBN-OXJNMPFZSA-N 426.514 -0.615 50 20 IBGD COC(=O)NCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 730735851 ASRIJVFGNNNDDR-UHFFFAOYSA-N 428.467 -0.395 50 20 IBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1 753784077 DFLQYTZUMCARLY-QGZVFWFLSA-N 437.522 -0.308 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)c1cnn(C)c1 755409084 QNZLAFHZQMAYPX-UHFFFAOYSA-N 438.466 -0.084 50 20 IBGD Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765732913 YDUCEIPTQMOYPL-UHFFFAOYSA-N 437.416 -0.142 50 20 IBGD Cn1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(-c2ccc(C#N)cc2)n1 777887399 GDFIMNBMTZXPRS-UHFFFAOYSA-N 445.443 -0.144 50 20 IBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCCC3=O)c2)C[C@@H](C)O1 789856279 DMAOFVUIJUVJRG-ZIAGYGMSSA-N 438.506 -0.132 50 20 IBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 807456877 WWCISCDDYNJIEQ-UHFFFAOYSA-N 427.377 -0.069 50 20 IBGD CNC(=O)CN1CCC(NC(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)CC1 916516779 KRGVZADINQNLOT-UHFFFAOYSA-N 427.531 -0.395 50 20 IBGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 919886632 SXHAJHOIBGXMQO-LLVKDONJSA-N 436.487 -0.357 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCO1)C2 1779375728 SBRWRQXHMXBDFT-CSODHUTKSA-N 431.493 -0.008 50 20 IBGD C[C@@H](CN)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780970097 RSVQUZMINVUONB-HTAPYJJXSA-N 446.552 -0.243 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783536053 CUTFEFOJMSCHPF-QFYYESIMSA-N 426.271 -0.198 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1783937596 VJXPICPKRBPEQG-FQEVSTJZSA-N 441.529 -0.286 50 20 IBGD C[C@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785443914 MPKRODKJWPZCMZ-OWSLCNJRSA-N 434.541 -0.128 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979698 MAPKODWJOFNSMR-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1798722318 UUKVMGBXBXEMAF-HGKCTWBKSA-N 426.282 -0.339 50 20 IBGD O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1807024410 UFODLMQYSPQQQQ-GZBFAFLISA-N 434.817 -0.588 50 20 IBGD CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812659159 RBOHCNNUSANEPY-GHTZIAJQSA-N 438.293 -0.393 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1813070502 IBWVVPMSIOCENE-KXBFYZLASA-N 429.485 -0.853 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1)c1ccc(B(O)O)cc1 1817472049 DUVUCASYVWVWFX-MRXNPFEDSA-N 436.237 -0.208 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=O)N(C)C)CC2 1826080701 CZMRZYZVXLBLQJ-LLVKDONJSA-N 439.542 -0.301 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831020411 XXSWVIJVUODISG-GOSISDBHSA-N 429.546 -0.254 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397326 FWJLPKVHLUHQSO-QAPCUYQASA-N 448.358 -0.052 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1835938359 TWHZKMIFAIPDCZ-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201674 FNQNHZFIYLUYHY-DETPVDSQSA-N 436.278 -0.246 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840484770 IXAIRACVCGFFGK-NRFANRHFSA-N 449.508 -0.963 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)C2=O)cc1 728178911 MHHZBCWPIJTVRM-KUHUBIRLSA-N 438.506 -0.046 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742477791 TXYFRIQLUBMFHE-QZCPTFHJSA-N 425.445 -0.092 50 20 IBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 747906182 MMZGHOPQPMRODG-UHFFFAOYSA-N 425.467 -0.961 50 20 IBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 764087240 YXOCPZHFSMAGCW-CYBMUJFWSA-N 425.511 -0.245 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(Br)cc2)n(C)c1=O 765725872 UDTVJSACTKALKZ-UHFFFAOYSA-N 449.265 -0.414 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)NC3CC3)ccc2F)CC1 801140106 AQZVUIVSFXESHZ-UHFFFAOYSA-N 427.458 -0.215 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 802561384 KMGHLAFNHYATHV-UHFFFAOYSA-N 433.446 -0.190 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1783937980 QOXPEJAXBJURFH-NRFANRHFSA-N 431.493 -0.398 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ncc(Cl)cn1 1785817276 WMYOUVMUMUZDBA-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786983088 IQIKKFDVMORABZ-UHMOLFJZSA-N 440.309 -0.274 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789926423 XIUYTRMMHJOWEZ-HPCHECBXSA-N 438.294 -0.192 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793522477 KPWMTUXIPZAINI-HGKCTWBKSA-N 426.282 -0.766 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440507 MYZYHBHLAOWUJM-XQLPTFJDSA-N 426.481 -0.135 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccnnc1O 1811225985 VFYWGJZDPBKWLA-VQIMIIECSA-N 447.260 -0.110 50 20 IBGD O=C(CCn1cncn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361433 FHWLZIWGJFDTKR-AWEZNQCLSA-N 440.294 -0.270 50 20 IBGD N=C1NCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826871782 MEOPQOFCCCFHSZ-LJQANCHMSA-N 441.341 -0.560 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831424693 MGWLKQMNUMEQPF-IERDGZPVSA-N 432.282 -0.973 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801146 RLBKDIMHXQOFGG-HRAATJIYSA-N 444.385 -0.075 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835443996 WPCQVNVMSIIDEY-MOBUCQHHSA-N 429.326 -0.678 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839096975 PWPXOPSOXCEKAA-KNOLOLIISA-N 435.456 -0.065 50 20 IBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(OCC(=O)N2CCOCC2)cc1 728437543 UDEQUYRCZAOPIB-AWEZNQCLSA-N 426.495 -0.298 50 20 IBGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)n2)cc1 734993280 GQKYPUSRVSWYKM-CYBMUJFWSA-N 437.478 -0.203 50 20 IBGD O=C(COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1cccs1 767548158 AHTMSVFQXMQDLS-UHFFFAOYSA-N 446.489 -0.029 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@](C)(O)C(C)C)CC2)cc1 771416337 RZWVLVSLFKTVHM-IBGZPJMESA-N 426.539 -0.144 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776060878 AAQIFMZCVSHARB-LBPRGKRZSA-N 431.471 -0.693 50 20 IBGD O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NNC(=O)C(=O)N1CCCC1 802430653 DPSAQDGTAIFECA-UHFFFAOYSA-N 435.865 -0.290 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)c2ccccc2c1=O 809953289 LYCXKBQSZHHAKG-UHFFFAOYSA-N 444.473 -0.059 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 815568990 BOGAYSVIIWYDIA-ZETCQYMHSA-N 448.299 -0.255 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779126049 YOQNHVFDALCYBC-ACJLOTCBSA-N 428.873 -0.203 50 20 IBGD CC(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n[nH]1 1780293922 QYYAYVVVMKSBBU-OAQYLSRUSA-N 426.282 -0.030 50 20 IBGD O=C(CC1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786735595 ZTRGCIYAGKODSL-IHPCNDPISA-N 430.310 -0.224 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1791251242 BPMJGGLALWRRHL-FMSGJZPZSA-N 438.872 -0.735 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793759716 PZUOKDVMNFMDBQ-NJBDSQKTSA-N 431.287 -0.841 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834205 JHQWDTKGYKUKRX-FBKDDSFISA-N 431.287 -0.699 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796439721 YNCCBZJCVFRJKY-SPRUADBXSA-N 425.873 -0.690 50 20 IBGD Cc1ccc(C(=O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1800884402 KHCQOXMXVUVKBY-OPVJXMOQSA-N 436.273 -0.239 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cc2n(n1)CCNC2=O 1806077990 HFAFSTAFRGUIQM-IAOVAPTHSA-N 446.895 -0.059 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363146 BRTHLKXIHGLHAI-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)N1 1807365202 SNCAHLALAKFHNZ-KPFFTGBYSA-N 436.277 -0.640 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370428 DQWGUWGCFSLFAL-WIYYLYMNSA-N 433.277 -0.022 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817474832 HGCQYDROYNDRAO-OAHLLOKOSA-N 429.242 -0.249 50 20 IBGD C[C@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793694 RLSQVBSVLWJUSA-NXEZZACHSA-N 445.505 -0.121 50 20 IBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825166894 YEUWBVMDPNWSAW-JTQLQIEISA-N 431.478 -0.497 50 20 IBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)sc2C1)c1cccc(B(O)O)c1 1827381338 DUAVQAMASVHFDH-WVZRYYJFSA-N 427.291 -0.059 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728210 QNGDPSOKPGOKHA-GDZNZVCISA-N 432.930 0.000 50 20 IBGD CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835910767 ZDXGQMAYOUNTHL-NGONFYQLSA-N 448.524 -0.425 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927088 DHZDMFMDVCDZFS-YLJYHZDGSA-N 438.717 -0.156 50 20 IBGD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1840185120 GCYSTEOVTUTKIN-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409918 LEGZYRWIXMXVDY-KBXCAEBGSA-N 428.873 -0.434 50 20 IBGD CCNC(=O)COc1ccc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC 16881552 UYBZIDCDKYLXOP-MDWZMJQESA-N 441.444 -0.020 50 20 IBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 728312214 IHOMUGKTUOFZQG-UHFFFAOYSA-N 425.492 -0.369 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccccc3n1)C2)c1cccc(B(O)O)c1 1795739282 YZHLGCOXTOVJKX-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CCN1 1817475230 LRPXVICVFGCJBX-YOEHRIQHSA-N 439.281 -0.078 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830338087 FQEHFPPTCSPBJW-APWZRJJASA-N 428.869 -0.173 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1832064258 OXHQHUYVVAKFLA-SFHVURJKSA-N 431.298 -0.044 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832340922 OBAILJZHLAGHEX-UGKGYDQZSA-N 446.309 -0.604 50 20 IBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833134083 XTSICTFRDULVSP-JOCHJYFZSA-N 447.536 -0.238 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833758238 BQWOUHIFVDXJCX-OAQYLSRUSA-N 434.493 -0.165 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1835645237 AJGSHKQUAPRSSY-RDJZCZTQSA-N 448.948 -0.124 50 20 IBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1838007876 VLWCRHPCGBXOOD-FQEVSTJZSA-N 437.497 -0.266 50 20 IBGD O=C(c1cc(CO)on1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201689 FWLJEZAWHQPLGG-WFASDCNBSA-N 436.234 -0.073 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840153843 BXSJGOOOYCKCLZ-SCLBCKFNSA-N 428.873 -0.191 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840801155 MVQKTKNUQVOIDV-KUHUBIRLSA-N 449.932 -0.043 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1845179625 FTFCHMHFUFVWKW-MRXNPFEDSA-N 430.509 -0.330 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847568728 JNUGTSGSQYCMOC-CYDGBPFRSA-N 432.905 -0.443 50 20 IBGD Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 738860769 ORDMVXAFEZSCJV-UHFFFAOYSA-N 431.430 -0.380 50 20 IBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 746974071 YPBNAHBTTIVJSB-UHFFFAOYSA-N 435.528 -0.791 50 20 IBGD O=C(CN1C(=O)COc2cc(Br)ccc21)NNC(=O)C(=O)N1CCCC1 748239721 LRHUFISZVLFHSW-UHFFFAOYSA-N 425.239 -0.056 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CC[C@H](O)CC1 753724171 NQLFACXLCRAHGC-SHTZXODSSA-N 426.495 -0.045 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(F)c(Cl)c2F)n(C)c1=O 761107259 WXPICVNINZFYPZ-UHFFFAOYSA-N 426.767 -0.174 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)NC(=O)CO2 764812391 KJFONTIPYNQZGB-UHFFFAOYSA-N 425.405 -0.695 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 771964318 IZXIPIVHJPFBQM-CYBMUJFWSA-N 444.510 -0.215 50 20 IBGD Cn1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(-c2ccc(C#N)cc2)n1 777882080 MWIKCKITCMCTOR-UHFFFAOYSA-N 438.473 -0.006 50 20 IBGD CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(C)c1 794822720 FXQOZQFQHFYQOR-DGCLKSJQSA-N 429.499 -0.090 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc(O)n1 1779030259 MYRNQIZSVQGYFV-NRFANRHFSA-N 440.460 -0.149 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779559269 CEDPRQKSMSXEOC-YIOZNXECSA-N 433.933 -0.095 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783879707 ADXRYYDAIPOPLZ-APWZRJJASA-N 428.961 -0.150 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783991105 VOXSZCUSWDQOHD-LXFSFDBISA-N 449.932 -0.549 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21)[C@H](O)CCl 1784094977 XUFVOSQOGYYIBQ-WQCNXYOZSA-N 436.940 -0.037 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1791255419 QQBMXGSBKJJMRN-YXWQFLTLSA-N 442.900 -0.054 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C)C2 1796439623 SGHQJEDZMWCMSU-UNJQHOFTSA-N 430.509 -0.196 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccn(C(F)F)n1 1798162372 JTOCAKLRYDZAJQ-YWVIFJGQSA-N 434.208 -0.525 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799732039 GTZMGOZUYKMEIE-HBCWATKFSA-N 449.464 -0.123 50 20 IBGD Cc1cc(C)n(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1801249769 AKZBSZXADNKZEP-UPHUGPLXSA-N 434.541 -0.147 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359608 BFFNXJYPBBXUQE-OXJNMPFZSA-N 447.260 -0.522 50 20 IBGD NC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830737989 KWLUMDXYJWWXEP-HNAYVOBHSA-N 425.869 -0.545 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833311721 BMLGJAKTEGKLDA-CQSZACIVSA-N 438.916 -0.640 50 20 IBGD CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1833429621 CSYSPRKNDPJVKI-KDOFPFPSSA-N 428.873 -0.455 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837320178 SGKSBCWUJYSVBR-IAQYHMDHSA-N 446.806 -0.198 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920289 XHYWMOSKOOGPOB-OAHLLOKOSA-N 431.298 -0.887 50 20 IBGD O=C(c1cnc2snnc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838506509 BFOTYHUETGYXKK-GUYCJALGSA-N 441.897 -0.244 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1839655955 YZFVPZHOWHQPMR-GUYCJALGSA-N 436.962 -0.819 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1840183841 CUXJRGAAWBSLCX-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD CC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848150004 JYJRXHMMSKMVLL-AVGNSLFASA-N 436.900 -0.347 50 20 IBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Br)c2)c[nH]1 746318044 UDTOWTOVFDRRPL-UHFFFAOYSA-N 444.267 -0.384 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC3COC(C)(C)OC3)nc2)CC1 758738551 FXDCKOVIFRAPHU-UHFFFAOYSA-N 428.515 -0.205 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1S(=O)(=O)N1CCCC1 764203566 INEFBLIYTBPDEY-UHFFFAOYSA-N 427.483 -0.873 50 20 IBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 765760061 YYBZHJRSUQCLGZ-OAHLLOKOSA-N 436.900 -0.407 50 20 IBGD CN(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O 778417882 YZETZQXPOZCUAV-NSHDSACASA-N 426.904 -0.537 50 20 IBGD COC(=O)c1cncc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 788663361 DBNOGYBIMRUNHL-UHFFFAOYSA-N 442.313 -0.143 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 806787068 AEDYPUXCUVNFLB-ZYHUDNBSSA-N 432.503 -0.587 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cnc2n(C)c1=O 842755942 XQCZHWIKMOVYTL-UHFFFAOYSA-N 445.461 -1.000 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 912919902 SXHGQPBSQMVCHP-OKILXGFUSA-N 440.522 -0.186 50 20 IBGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 933433122 CCVZJBYWIAZLTD-IYVPYFHTSA-N 435.440 -0.016 50 20 IBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320455569 WOGDCLJEPANUDF-OCCSQVGLSA-N 429.499 -0.256 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3c(cnn3C)c2=O)c1 1321167161 JXIMKICEGJCQMO-UHFFFAOYSA-N 432.462 -0.403 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)c1 1324162507 MGHMAUIRXBYSMJ-UHFFFAOYSA-N 433.508 -0.708 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779814412 UXRVNFDZXVNGRE-LJQANCHMSA-N 430.657 -0.433 50 20 IBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1O 1780749392 XYHWKQJINLALDW-QFIPXVFZSA-N 440.261 -0.162 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1783934346 FFKMKUTUXNVULM-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1783937502 SNPQTPZQEKWUTG-FQEVSTJZSA-N 447.471 -0.315 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786793071 VSIBJIAOOXTPNZ-RHYQMDGZSA-N 442.247 -0.526 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1787508722 JWJUPQBRZISUKM-DVBSWERSSA-N 432.481 -0.812 50 20 IBGD CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)N(CC)CC 1795737753 PWDYLOABZGCZEN-HNJRGHQBSA-N 431.342 -0.310 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440617 TVSLVWMXVMINQC-FQUUOJAGSA-N 431.497 -0.356 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800640087 UOZPTMPBBLASOD-NOHGZBONSA-N 442.247 -0.526 50 20 IBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1801281048 MHXAHJRNSBBKHN-IVWMJMPLSA-N 428.449 -0.573 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c2c1CCC2 1830727856 IJCNQTQVGBCZHR-HNAYVOBHSA-N 426.901 -0.422 50 20 IBGD CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1833358854 YPKLCNDKSGGOMA-LPHOPBHVSA-N 426.901 -0.183 50 20 IBGD C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1(F)F 1835941472 LDMIWAYNPUEULT-RBUKOAKNSA-N 438.236 -0.518 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837754967 YLKCSRLSCBJVPX-LIRRHRJNSA-N 442.900 -0.405 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1846384978 HAWZERILZOFAMO-UHFFFAOYSA-N 442.520 -0.084 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1847090601 VBQQFGLNQBIQGC-RYUDHWBXSA-N 432.905 -0.442 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCOC(C)(C)C2)c1 726262545 HIXPLAHLVYXHFJ-UHFFFAOYSA-N 427.527 -0.008 50 20 IBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 747906714 JVLQRWYSMHAAMW-UHFFFAOYSA-N 434.540 -0.085 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 757471773 GBDQLKGUZVTGPX-QMMMGPOBSA-N 425.872 -0.194 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 758054188 NZQPIAQGAYJCOB-GFCCVEGCSA-N 432.524 -0.440 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C[C@@H](C)O1 764210688 FTNTXATYOXPIOU-BETUJISGSA-N 441.510 -0.868 50 20 IBGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764211217 KDDDVSSYNNACIQ-UHFFFAOYSA-N 443.526 -0.237 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 773182283 ZACOFYJGUWIERD-HNNXBMFYSA-N 434.412 -0.196 50 20 IBGD COc1ccccc1CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 919822245 IMVJSJINZDNRPT-UHFFFAOYSA-N 446.485 -0.181 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)n3ccnc3)CC2)cc1 1253116131 OGNMFOQSJVWRFO-INIZCTEOSA-N 434.522 -0.094 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cncn1-c1ccccc1 1318270248 GYIMTKRWVBXEOA-MRXNPFEDSA-N 426.477 -0.186 50 20 IBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780935788 SDVHZKCWZSYHLA-UGSOOPFHSA-N 442.925 -0.679 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781395977 GDCONVHYCQHLTH-VLIAUNLRSA-N 432.481 -0.071 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781430573 MHPJXQDVYSNWKS-NRFANRHFSA-N 426.282 -0.607 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782840018 YYEGKQFYGQCWQA-REWPJTCUSA-N 435.289 -0.153 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784496957 GNDGFRQXAMHGQA-HRAATJIYSA-N 426.282 -0.657 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784597105 BSAINHYXMRDFEQ-WFLXCYLQSA-N 446.508 -0.388 50 20 IBGD N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1792558111 WJKXTBAYIUSSLU-HATOLVCRSA-N 433.273 -0.316 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1792964299 SYSCBFGTJAHZMA-KMOPNRPKSA-N 444.293 -0.841 50 20 IBGD O=C(CCc1ccc(F)nc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794019199 WUCIPSJBLGSLPO-UPHUGPLXSA-N 441.268 -0.264 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1n[nH]c2ccccc12 1797412942 BXRAJIKSHXUSPJ-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373880 VEEQZWZGDZZNCN-HEFCMCLBSA-N 438.293 -0.394 50 20 IBGD COC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822621608 QEFFNHVTZSCZIK-HNNXBMFYSA-N 429.242 -0.249 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1835736988 PIINCNJAHXCESN-IBGZPJMESA-N 441.536 -0.602 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837396797 KNWMJDMNGWNBCP-GCJKJVERSA-N 446.309 -0.991 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840153527 RYGGYCHXBPRSSL-MEDUHNTESA-N 431.833 -0.358 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1840184024 NVBLYTHWIXZNIE-NRFANRHFSA-N 440.541 -0.368 50 20 IBGD CCc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)co1 1840184846 BLDFIRIJWFMLCL-FQEVSTJZSA-N 437.497 -0.320 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840263568 JRDVTLKMMRIEOJ-GDBMZVCRSA-N 448.245 -0.942 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2nnc3ccccc3c2=O)cc1 17407053 XMQIVPIYPAWGTM-UHFFFAOYSA-N 444.473 -0.432 50 20 IBGD Cc1n[nH]cc1C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 731851692 NVXGNXKRBSZKIW-UHFFFAOYSA-N 448.505 -0.208 50 20 IBGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1ccc2c(c1)OCCO2 732474606 RFYJBODPXGWNCJ-AWEZNQCLSA-N 442.494 -0.110 50 20 IBGD C[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746096194 CHAKJGCPFCGLJR-YGARTUKASA-N 439.428 -0.755 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c1 747405398 CZEHAPMFJZEIAT-UHFFFAOYSA-N 425.467 -0.628 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)cc1 763464789 YSHSBNDWEKEHDL-UHFFFAOYSA-N 445.461 -0.782 50 20 IBGD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764227725 QTXUKBWHEXXNJG-VIFPVBQESA-N 448.885 -0.071 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767353734 NXSDRUYXLVNPDA-QZCPTFHJSA-N 429.429 -0.609 50 20 IBGD CC[C@@H](C)Oc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccn1 777420509 TXOAHCUWHPPHIO-LLVKDONJSA-N 429.437 -0.533 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1-n1cnnn1 784004382 WYCGKKLTHSBZGJ-UHFFFAOYSA-N 444.433 -0.752 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780393107 PZGVMOPEHCJBSA-CCULFSDZSA-N 444.448 -0.256 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1781231532 AVWDEFAERIJINC-IRXDYDNUSA-N 426.341 -0.661 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1783874312 GOGVRFDLDKDCKT-YJYMSZOUSA-N 439.900 -0.286 50 20 IBGD O=C(Cc1cscn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787038427 BRGXXIJMSCLXDF-WBAXXEDZSA-N 429.307 -0.341 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1788471323 UMSPVOBNGPLEJM-WSMBLCCSSA-N 431.562 -0.118 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788764003 DSINKANVEFTZOL-SZMVWBNQSA-N 434.374 -0.189 50 20 IBGD N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736252 RQTZSGMTFVZIFM-CWPLJXCYSA-N 437.236 -0.106 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1796892352 XFAXJWLJUIYJSM-ARXWPJIVSA-N 431.497 -0.649 50 20 IBGD COCCOCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806757880 VZOGWMGOBJDVNL-RXVVDRJESA-N 441.293 -0.256 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362821 WRDCDOBRJBDZSI-MAUKXSAKSA-N 435.249 -0.177 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055986 QADLOQRNOGLXEO-LJQANCHMSA-N 444.341 -0.129 50 20 IBGD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830727806 GACBKFGXKSBYRE-BEFAXECRSA-N 441.868 -0.462 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730587 BPRJRWXSJAZRPW-ACJLOTCBSA-N 449.838 -0.087 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419417 GYQBIIGNRSDXTJ-SCLBCKFNSA-N 429.857 -0.183 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840155560 FBVDVAWNXRBBHE-FZKQIMNGSA-N 444.872 -0.729 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012449 PTMLQWMNVZZBLG-ZWKOTPCHSA-N 426.278 -0.061 50 20 IBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C(=O)N1c1cnn(C)c1 745917492 JHAMYETVGOVUJX-XHDPSFHLSA-N 434.478 -0.038 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(F)c(F)cc2F)n(C)c1=O 756430939 KPVQRBJXYMHACK-UHFFFAOYSA-N 425.327 -0.296 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COCc2ccccc2)c2ccccc2O1 764362698 HCFPAVBWFASRQQ-KRWDZBQOSA-N 426.429 -0.109 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 764401047 UGFOLVCWUHUSGF-LLVKDONJSA-N 441.872 -0.586 50 20 IBGD Cc1nc(-c2c[nH]c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)cs1 765727530 KIKJXTKBSQASIV-UHFFFAOYSA-N 442.461 -0.345 50 20 IBGD CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 766639361 PIZNXAIMHZYAFZ-UHFFFAOYSA-N 445.436 -0.983 50 20 IBGD Cc1cn(-c2ccccc2)nc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 771415428 JTLCJGZRRQRLBS-UHFFFAOYSA-N 436.432 -0.611 50 20 IBGD CCCCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1 789812399 AKGBWKVGWROOQT-UHFFFAOYSA-N 444.448 -0.221 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 798309473 GFPBJTQMEFDXSJ-AMMHQNNLSA-N 428.445 -0.060 50 20 IBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CN2CCCC2=O)c1 800694490 FQUJQXLYIMIKSG-UHFFFAOYSA-N 432.886 -0.352 50 20 IBGD Cn1ncc(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)c1Cl 1779861841 MZUUKRANURHYEL-IBGZPJMESA-N 447.883 -0.171 50 20 IBGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979469 LQMYYWOKJHXRKY-IEZWGBDMSA-N 439.277 -0.323 50 20 IBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)N1 1789922104 GXPGUAAFHCAGSL-VGBILLHSSA-N 435.250 -0.745 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792132353 JPBNKJOPMCLUDH-XQLPTFJDSA-N 442.900 -0.509 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnsc1C1CC1)C2)c1cccc(B(O)O)c1 1795739048 SIDQHEZRDDWXTM-MIFYACCESA-N 442.306 -0.388 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1796440196 HPEWGAGGSGETQW-MGRLTOJPSA-N 428.453 -0.998 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc2[nH]ncc2c1 1797344753 HPXBNSMDKXTNFH-ALXJQNPVSA-N 435.249 -0.845 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)CC1 1802336821 ZYOHZDMDCIIWKL-BCDXTJNWSA-N 436.557 -0.838 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cnnn2C)[C@H]1c1cccnc1 1804745526 AEBHCQOZWQGAFE-HNAYVOBHSA-N 428.497 -0.097 50 20 IBGD Cn1nc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)cc1O 1807483940 FYVMJSRVEFFVHJ-UHFFFAOYSA-N 426.282 -0.036 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977934 MQLKBXUYKPMUPP-UHFFFAOYSA-N 430.314 -0.518 50 20 IBGD Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnn2c1 1830731294 KISARSGNIKHKEK-KXBFYZLASA-N 437.884 -0.293 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1834166065 ZHKVSOUQQMKEEX-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834522387 JHIIZZSDYOBYSJ-HXUWFJFHSA-N 437.497 -0.320 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccncn3)CC2)CC1)c1cccc(B(O)O)c1 1834799946 HJKPMWNVQXJKFW-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835616132 AXLYTFVUFOMBHF-NRFANRHFSA-N 448.524 -0.857 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)C(=O)O 1835761815 AKOOCJKTJTYPDL-JLZZUVOBSA-N 440.324 -0.258 50 20 IBGD O=C1CCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199285 LVGOGUBBPYNRHP-GOEBONIOSA-N 436.278 -0.244 50 20 IBGD COc1ccc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 16230093 XSZOHYUWKIUDBA-UHFFFAOYSA-N 430.421 -0.698 50 20 IBGD CC(C)n1nc(C(=O)NNC(=S)NCCNS(C)(=O)=O)c2ccccc2c1=O 727065957 HNFVIBTZFXMTKH-UHFFFAOYSA-N 426.524 -0.365 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 732952180 LSTLIFCNIKESMI-CYBMUJFWSA-N 427.439 -0.580 50 20 IBGD COc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 746594598 QPZPJHPYNDONQR-NSHDSACASA-N 440.507 -0.240 50 20 IBGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751271311 NANXIIYATSVVKZ-SECBINFHSA-N 425.872 -0.194 50 20 IBGD Cc1nn(C)c(C)c1OCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 759091611 ZPCVSHOIXUJXOZ-UHFFFAOYSA-N 437.526 -0.110 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n([C@H]2C[C@H]3CC[C@H]2C3)n1 764225608 BDYBVPXERVKGKL-CYDGBPFRSA-N 426.499 -0.424 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1F 764226282 HKJORWRTNJNANY-LURJTMIESA-N 425.236 -0.388 50 20 IBGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 766271287 MWAWRTNQTQOPDI-UHFFFAOYSA-N 427.465 -0.117 50 20 IBGD O=C(COC(=O)[C@@H]1COCCN1CC(F)F)NNC(=O)[C@@H]1COc2ccccc2O1 786953256 YGIWCIREGZUPEN-FZMZJTMJSA-N 429.376 -0.517 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 825615231 NMCYNSHWLHTDCO-GFCCVEGCSA-N 437.478 -0.580 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1csnn1 917933208 CJAPVDITSGOVIY-UHFFFAOYSA-N 425.492 -0.047 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1787507621 KEPZCKHDNGLQIY-RPIBGLMYSA-N 442.480 -0.608 50 20 IBGD Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)n1 1788504623 BXRWIHQHBYKMLW-YVNDNENWSA-N 433.282 -0.010 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609720 CRVPAICNORAHDF-KSYCFECVSA-N 439.900 -0.468 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788775903 WDVIYOWXTSILRP-HPCHECBXSA-N 438.294 -0.192 50 20 IBGD O=C(CCCn1ccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791565143 ADGSFIPJJBUHDZ-IHPCNDPISA-N 440.309 -0.363 50 20 IBGD Cc1nc(N)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795666019 DUUKSEKQBDVPIK-AGGWBTHJSA-N 430.295 -0.769 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nccn13)C2)c1ccc(B(O)O)cc1 1795735978 MOBSVRGBHYYYQV-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1796892017 APWOLCMZPWWCEO-JWBKOJIWSA-N 428.497 -0.401 50 20 IBGD CC(=O)O[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)C 1797590065 OBXCXHTUXFWKAD-UKBAYJJMSA-N 432.282 -0.843 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1797749747 MZVFQRCWZUMPAB-DPIQGUFMSA-N 426.433 -0.697 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799684762 PMUULXRBGPCXGE-WHRXGGIHSA-N 435.905 -0.327 50 20 IBGD O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1800205009 UXLLSJHZXHSSDT-CULMDFNYSA-N 429.271 -0.064 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccn3c1)C2 1801011604 QRXFVTDUCQAUEG-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CCN1 1822479066 NVEAGTYICJSYHE-YOEHRIQHSA-N 439.281 -0.078 50 20 IBGD Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456168 DJSZQFVIKKPGTO-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3)C2)C1 1840184323 ZZVORVVQLGAJBL-JOCHJYFZSA-N 447.536 -0.156 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c(=O)nc1O 1840807777 YWDZPBVQIMOSEE-CXAGYDPISA-N 432.836 -0.752 50 20 IBGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 11428349 FXLSBXUZVPTONX-KRWDZBQOSA-N 443.412 -0.044 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 737064395 GBUQUUNOAYUJOC-UHFFFAOYSA-N 435.481 -0.125 50 20 IBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2=O)n1 745884383 WPZMMQSGWHBKNF-AWEZNQCLSA-N 438.448 -0.193 50 20 IBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cc1 763663259 POFWOFUEBSUOPC-UHFFFAOYSA-N 430.417 -0.015 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc(-n2cnnn2)c1 765736421 RLQSQCZBIDCNCV-UHFFFAOYSA-N 434.460 -0.119 50 20 IBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 767155412 LGAYKLRSZVQWMV-UHFFFAOYSA-N 439.538 -0.312 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCC2)c1 793272725 CVALRGLXMMMPMZ-UHFFFAOYSA-N 432.524 -0.152 50 20 IBGD Cn1c(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)nc2n(C)c1=O 913373982 IPOGPXDOPZPHBY-UHFFFAOYSA-N 445.819 -0.096 50 20 IBGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779029085 LHKPTLWMRSJNCV-OAQYLSRUSA-N 440.460 -0.154 50 20 IBGD O=C(Cn1cnc2ccccc21)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783749865 OIJXRSMRADGICB-QHCPKHFHSA-N 448.288 -0.140 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984271 XIQIKISHNAMRQY-JVPBZIDWSA-N 449.276 -0.455 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2n(n1)CCC2 1788412829 KMQLOQWPEDWYEJ-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792976380 GECGHRCVRSRMBF-CXHZTBPHSA-N 444.937 -0.042 50 20 IBGD C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795513412 KAGFETREOGRWRR-PHXBYCTMSA-N 446.552 -0.483 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795730161 LCUTWJUWIODIJW-ZYYNGRNUSA-N 443.291 -0.143 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1796440834 AWLLXQJITNBXFJ-CDKNRDMASA-N 425.449 -0.186 50 20 IBGD Cn1cc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797750745 RSQYJVOLYWLZGE-CCWDJLKJSA-N 441.492 -0.745 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2 1801011495 QEJAGXMWOIDWDE-HBCWATKFSA-N 430.465 -0.201 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1810310601 YAROWVODKUEGFD-DYVFJYSZSA-N 440.464 -0.932 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)CCC(N)=O)CC2)CC1 1838753349 PPQAEMPMGBQELH-UHFFFAOYSA-N 425.530 -0.377 50 20 IBGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184058 PIZDPVPWIPITPX-IBGZPJMESA-N 438.485 -0.992 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)C1 1843860878 XYKBCKLJOZABHP-UHFFFAOYSA-N 442.520 -0.084 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Cl)n(C)c1=O 1848151229 MRAKFEDSRIJHBH-OUJBWJOFSA-N 426.836 -0.830 50 20 IBGD CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764226432 INQUQIWAKDOGBU-NSHDSACASA-N 441.510 -0.371 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(F)cc1I 764431776 FWRLJMAHZMOXQF-SNVBAGLBSA-N 437.165 -0.068 50 20 IBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 766275926 MDRUEYJHXDBQGS-HUUCEWRRSA-N 439.542 -0.442 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc(-c3ccccn3)n2)n(C)c1=O 766635439 CPKDPMAIPTUWGS-UHFFFAOYSA-N 440.445 -0.587 50 20 IBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)c1nc[nH]n1)N(S(C)(=O)=O)CC2 781417474 ZDGZWKKALMBQJG-LBPRGKRZSA-N 438.466 -0.468 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)N=c1cc[nH]cc1 802034548 RGJSBHILWOAHBR-UHFFFAOYSA-N 425.492 -0.019 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)c2)CCN1 812986845 HEMMDPDFBLZRON-UHFFFAOYSA-N 449.471 -0.405 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1779032612 OEJFECMZMZCFAV-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD COC(OC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371297 MPVJEDIYDZVUAZ-FOIQADDNSA-N 435.481 -0.569 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784610970 DMUCSNVFXCFNAI-OAQYLSRUSA-N 440.460 -0.650 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21 1788609832 MGIHVPPZGXQZGN-PLBLVSRVSA-N 443.504 -0.154 50 20 IBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1789871469 BMECMTWTFVSDGV-XSWJXKHESA-N 440.368 -0.511 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(N(C)C)c1)C2 1801009391 DOGLRINHFNOYLH-CWPLJXCYSA-N 432.525 -0.276 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802089375 UCXJAXSYBOPJRI-SCAQPMJSSA-N 432.282 -0.841 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1830543736 BEEHMCZWABXIEV-IGCXYCKISA-N 432.315 -0.390 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)cc1 1830719765 JYYWKAQDTITEAK-FUHIMQAGSA-N 442.896 -0.215 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832381128 UACQKJHOGXNKPO-YVEFUNNKSA-N 445.314 -0.166 50 20 IBGD N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835942125 WZDHNZWIRBJVCN-OAQYLSRUSA-N 427.266 -0.870 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836161888 MGKFQGHNPMVHNL-OAQYLSRUSA-N 433.509 -0.547 50 20 IBGD CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457751 PLNCCFRULFJJMY-OAQYLSRUSA-N 448.524 -0.857 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1837459407 FKCPFRNEJFZBRH-HXUWFJFHSA-N 443.464 -0.900 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837596010 ZJKBBTURZVVZAR-IIBYNOLFSA-N 434.298 -0.750 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839963701 SNKSBARYOYDJOB-SWLSCSKDSA-N 441.344 -0.339 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1840067112 VNMBHSQCRXPJIX-FQEVSTJZSA-N 446.439 -0.464 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840068622 NFPDWMICZDXEJR-IBGZPJMESA-N 425.461 -0.403 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840151002 UMYWGGLKUIQDBV-UGSOOPFHSA-N 428.873 -0.191 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840151903 QVHRXUWPSYCRNS-ACJLOTCBSA-N 429.857 -0.183 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 11559125 KNWSLDKFLSKTQK-UHFFFAOYSA-N 448.823 -0.204 50 20 IBGD CS(=O)(=O)c1ccc(N2CCN(CC(=O)NNC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 733193453 POSJGHUDAOOLKZ-UHFFFAOYSA-N 425.467 -0.322 50 20 IBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 749283822 HZVVOMHQXYATKH-UHFFFAOYSA-N 427.386 -0.033 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3coc(S(N)(=O)=O)c3)CC2)cc1 757650294 MJGZOZAFNQSPAW-UHFFFAOYSA-N 435.506 -0.186 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 760816282 VLUUJJGPQISKIB-NXEZZACHSA-N 428.458 -0.036 50 20 IBGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)n1 763728096 IHZLMMWORGDOLH-UHFFFAOYSA-N 427.465 -0.490 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 763731704 BSBAZLIPPMFPIP-UHFFFAOYSA-N 435.462 -0.195 50 20 IBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)sc2c1CCCC2 764002479 MVWJMLRGJGUEPO-SECBINFHSA-N 443.503 -0.066 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764397611 AOGXTZLSWIQBCP-SNVBAGLBSA-N 446.457 -0.596 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cnn(-c3ccccc3)c2)n(C)c1=O 765728336 NWVOFBHNPXWLJM-UHFFFAOYSA-N 436.432 -0.991 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)CC2)cc1 779531648 CSKLTLZLHFJZLY-UZLBHIALSA-N 431.537 -0.464 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cc1S(=O)(=O)N1CCOCC1 790392728 XOTFVFDUWDRNLT-UHFFFAOYSA-N 432.524 -0.082 50 20 IBGD COC(=O)c1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Cl)c1 806978331 WYDKKQKWNUXTRN-MRVPVSSYSA-N 434.858 -0.541 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883932 GQTOLQRFKFMWDI-LLVKDONJSA-N 447.491 -0.861 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2)[C@H](F)Cl 1778023267 ZZOZXHOXKWSJKI-UKPHBRMFSA-N 439.937 -0.235 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778555728 DLTDZZPHXVJWSZ-HXUWFJFHSA-N 434.497 -0.518 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778735305 CBMKRRJFHPZLHU-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1779033706 BPGGIJKGOFMLPK-YCRPNKLZSA-N 431.493 -0.055 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257548 ZFKCDXWCOAIIKV-WMLDXEAASA-N 436.347 -0.866 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)no1 1784090830 DCHVPTXLJRIUIY-VIRABCJISA-N 428.873 -0.708 50 20 IBGD CCOC(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)OCC 1784167070 SAHNHOORBUBZFK-NRFANRHFSA-N 449.508 -0.082 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982091 LULGMOWDDAFFJD-UDDICAGYSA-N 440.309 -0.274 50 20 IBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)C(=O)C(=O)O 1789925616 RWDCFEMFFFRSBK-GMOBBJLQSA-N 438.250 -0.800 50 20 IBGD CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791306549 MQGHCNYSGZSNDG-OWLYRPNTSA-N 436.339 -0.926 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C1(O)CCC1 1792475700 FEDARAPOVBWOTK-ZJOBFFGXSA-N 431.493 -0.561 50 20 IBGD CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1C(=O)O 1792976555 XLLNLGZNBZCORR-JLUCKKNBSA-N 428.873 -0.035 50 20 IBGD Cc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1793114264 NRFUTWUNUGOGJU-YVWYUNDQSA-N 438.488 -0.166 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccccn1 1794199468 DIXGIDDFLNSWDS-YVWYUNDQSA-N 438.488 -0.084 50 20 IBGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797749735 LYKQEUYLCNOIDX-CWPLJXCYSA-N 438.488 -0.166 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799335240 MOAFSWOAVIYJNA-FQLMCAECSA-N 449.932 -0.283 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799372827 WPJLHJYAIOJUAD-AOFVIZNASA-N 444.492 -0.669 50 20 IBGD COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807374146 ITUKBMACNZGLIS-LPHOPBHVSA-N 440.265 -0.563 50 20 IBGD O=C(Cn1nccn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052351 GXLURCLILVKXOG-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830480051 VGIJYAXJWOOJBS-HXUWFJFHSA-N 435.481 -0.818 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830533059 DNCXYHQTICPJPB-GUYCJALGSA-N 448.314 -0.074 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833554517 HKUBVEJWTUDSIO-LJQANCHMSA-N 449.656 -0.608 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1837715576 YGAMXKGJZOROGM-SFHVURJKSA-N 440.577 -0.373 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838969333 AOZNNEZOYKPQTR-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)N1CCN(C)CC1 1839105204 UOWKQTBESTZBLC-KSSFIOAISA-N 437.368 -0.118 50 20 IBGD CC1(C)CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1840223501 CCMPNHGFMOXRNW-QFIPXVFZSA-N 430.310 -0.127 50 20 IBGD O=C(NCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1cccs1 1843013572 NFPUJVHWKUYVRH-UHFFFAOYSA-N 427.291 -0.325 50 20 IBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 18055526 MQHPAWFGIWQIKM-LLVKDONJSA-N 432.412 -0.422 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2c1=O 46582825 CDXCZNMJGBXDIC-UHFFFAOYSA-N 449.427 -0.563 50 20 IBGD O=C(COc1ccccc1O)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 730907373 IVKXWHRZPMBTQR-UHFFFAOYSA-N 443.464 -0.370 50 20 IBGD CCC[C@H](O)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 750423205 FETMGMSBPSERER-INIZCTEOSA-N 426.539 0.000 50 20 IBGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)Cc2ccncc2)C1=O 757628620 LSINTFACIHCQPJ-UHFFFAOYSA-N 439.432 -0.030 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764423858 DCIXDRBMEWJHHC-SJORKVTESA-N 446.460 -0.644 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 767824041 VTTWSDIYSARGHO-QLFBSQMISA-N 437.522 -0.128 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 768635103 VKHJYKYKONOYGH-UHFFFAOYSA-N 445.523 -0.048 50 20 IBGD CC[C@](O)(C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1 800517133 KZFFORJCOBTOMU-LJQANCHMSA-N 448.867 -0.468 50 20 IBGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNc3ccc(-n4ccnc4)nn3)CC2)cn1 805148557 FJKHJQKMCBRYHF-UHFFFAOYSA-N 446.497 -0.125 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(N2CCOCC2)c1 812456825 UAELWABXHUVZRV-UHFFFAOYSA-N 432.506 -0.052 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC2CCN(CC(=O)NC)CC2)nc1 916517172 WEMZLLPASDXFIM-UHFFFAOYSA-N 441.558 -0.051 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CN3CCCC3=O)CC2)cc1 920433179 RHVHBVUTYVONIW-UHFFFAOYSA-N 437.522 -0.929 50 20 IBGD CC(C)n1nccc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779602288 NLKOJEPMWVYKDA-OAQYLSRUSA-N 426.282 -0.099 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781228196 ZCTNVZQKCLKNER-HZPDHXFCSA-N 444.279 -0.508 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1783935066 NOYGBTMNDJRMNV-IERDGZPVSA-N 433.509 -0.388 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784533406 XVVANMOXOQDNQP-KMUCBOENSA-N 442.480 -0.368 50 20 IBGD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n1 1788610522 DCHQDUIGTXKKAD-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccncc3)[C@H]2C1 1789736747 CEYKJXAYONETHD-SNRMKQJTSA-N 438.488 -0.084 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21)[C@@H](F)Br 1789924713 BXVIVVDDDBFKMZ-JUFZMCDQSA-N 431.262 -0.087 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3CCC4)[C@H]2C1 1790393237 KNSZZGNHJXVNNG-ZVZYQTTQSA-N 432.525 -0.204 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795977940 SLIFNLMFWYKNDV-HKENYVDXSA-N 428.453 -0.550 50 20 IBGD COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CCC1 1797753909 AMKWFWQUQAQPOO-ZSBFGKGUSA-N 431.493 -0.153 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)[nH]n1 1819403987 RBAXUUVCYZDPKH-IAQYHMDHSA-N 440.464 -0.150 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cnnn1 1826972797 QLQSWSUXPYQIAZ-GWCFXTLKSA-N 441.282 -0.704 50 20 IBGD CC[C@@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834683652 DDOXRKQVGHZQLL-IIBYNOLFSA-N 444.385 -0.075 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)cc21 1836779723 WMQWQOKBYPNQJK-RDTXWAMCSA-N 443.863 -0.379 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839142317 MBHSPEZBKBFURT-LIRRHRJNSA-N 427.885 -0.225 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CCC1=O 1839199488 XPXVPNLISKCQJV-XJKSGUPXSA-N 449.277 -0.259 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840152967 ZWJUTHMLSCFWTN-NHYWBVRUSA-N 428.816 -0.193 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841298729 FMHUBJJWUBUCBA-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD O=C(CCNC(=O)NNC(=O)c1cccc(OC(F)F)c1)N[C@H]1CCS(=O)(=O)C1 728597750 ZZGLLYADAAHHKE-NSHDSACASA-N 434.421 -0.075 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1 745353545 NJAMJZWDZNNTIB-LBPRGKRZSA-N 437.478 -0.292 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1 750642934 DITOINKGWKBAJX-AWEZNQCLSA-N 425.511 -0.045 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1 763880850 KDJSYRITBHRXDV-UHFFFAOYSA-N 436.494 -0.155 50 20 IBGD C[C@@H](c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1)N1CCOCC1 764229618 BISHMXFWWODMAI-OLZOCXBDSA-N 441.510 -0.897 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(I)c1 765698799 RHWBRFCMGFFRGK-LLVKDONJSA-N 449.201 -0.199 50 20 IBGD Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)on2)cc1 766642420 FOEUNKXRALIQHX-UHFFFAOYSA-N 437.416 -0.142 50 20 IBGD CCNC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 772412367 SWLIASOTGKGLLT-NSHDSACASA-N 439.416 -0.032 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(C)o1 777777635 NSSKAWMGERIBEV-UHFFFAOYSA-N 444.329 -0.064 50 20 IBGD Cc1oc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1S(N)(=O)=O 777838796 VTMDPTNVWBJMPK-UHFFFAOYSA-N 430.302 -0.325 50 20 IBGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2Cl)CC1 783999307 FBKWJUKRODHCAA-UHFFFAOYSA-N 436.900 -0.200 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1 799983485 GFENDLUTYZGCSF-HUUCEWRRSA-N 441.510 -0.039 50 20 IBGD Cc1ccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 906478314 PEEQNNPVLSBFDH-UHFFFAOYSA-N 445.501 -0.011 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 913156163 XXXSIDKZJHXWTO-UHFFFAOYSA-N 433.425 -0.069 50 20 IBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 914881350 KHJUWCJIVOWGSF-UHFFFAOYSA-N 432.524 -0.439 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035719 MFDOVKALIDYAMS-UWJYYQICSA-N 446.508 -0.567 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4snnc4c3)C2)C1 1780071243 FCNGUIVONLPKFU-LJQANCHMSA-N 447.521 -0.097 50 20 IBGD O=C(CCn1cncn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782450334 FLNPWHUUSNXYQI-WIYYLYMNSA-N 441.297 -0.824 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21)[C@H](O)CCl 1784085849 QGGHFBQMHDIVPT-QEYWKRMJSA-N 434.770 -0.079 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785523353 NLNFCUQHYOEMSE-NRFANRHFSA-N 447.492 -0.282 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981129 UKPHVWHODWDINE-QRTARXTBSA-N 448.235 -0.135 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cccc(B(O)O)c1 1786984142 MCHLNJHXHBOOIA-ZXUJOAJASA-N 439.277 -0.328 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccc3n1)C2)c1ccc(B(O)O)cc1 1795734174 HUIZNTHKLJIDHL-VPTLXERWSA-N 446.272 -0.173 50 20 IBGD COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735293 WQSQNHXQSRTWRY-HGKCTWBKSA-N 427.266 -0.642 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)O)C2 1796188034 WTYLUTWXVYAALO-CLLJXQQHSA-N 446.162 -0.027 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1ccco1 1796286655 XIPOJQWNNWAMSC-BTTYYORXSA-N 440.460 -0.040 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797622035 WRWWPZIYMSYHOP-NJBDSQKTSA-N 429.319 -0.060 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2 1797749566 FBUNHMCDTIRDDG-FVCICTRLSA-N 427.417 -0.845 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cccnc1)C2 1802332668 FHNBNXWKHQBBGI-BJWYYQGGSA-N 430.509 -0.177 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807944570 QSDZYYFBOROKGU-NJZAAPMLSA-N 446.855 -0.873 50 20 IBGD O=C(Cn1nccn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343932 YAXQYSAQGWOBJB-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD O=C(c1ncn(-c2ccccc2)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728560 UTFLVXMUPJTSQN-OXQOHEQNSA-N 449.895 -0.063 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736858 WWHNVYUQGNEALO-SCLBCKFNSA-N 441.847 -0.462 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1831650980 MHZPMSACWLGMLQ-IYOUNJFTSA-N 435.905 -0.085 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840031543 TYOURAKSDNDEAU-MEDUHNTESA-N 431.287 -0.021 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840032098 NUJLUMCBUZOKNL-DYVFJYSZSA-N 432.315 -0.151 50 20 IBGD Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1C 1840182621 OOMMFPYYLPCXQQ-FQEVSTJZSA-N 437.497 -0.266 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1840185780 SBNXZUYHAWGBPX-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Cl)n(C)c1=O 1848151226 MRAKFEDSRIJHBH-KWBADKCTSA-N 426.836 -0.830 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C[C@@H](C)O1 732264615 VVVHYYGNJCGXQW-AHIWAGSCSA-N 434.472 -0.108 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CN(C)CCN2C)cc1 732475037 QRXXQMCNOOKNJV-HNNXBMFYSA-N 426.543 -0.808 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)n(C)c2n(C)c1=O 744849689 KIFVKIUMNFBFJV-UHFFFAOYSA-N 438.400 -0.935 50 20 IBGD O=C(C[C@H](C(=O)NN=Cc1ccc(O)cn1)N1CCOCC1)NN=Cc1ccc(O)cn1 755744194 NPCJHSDUXNHYLE-GOSISDBHSA-N 441.448 -0.421 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3 758049422 ZODRTVRDQMCAQA-MRVPVSSYSA-N 427.508 -0.097 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 764230690 JLWZEUJYOIVIIY-ZYHUDNBSSA-N 446.457 -0.593 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 764232934 UDJJHWOTKUFAOG-JTQLQIEISA-N 431.902 -0.036 50 20 IBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCN(C)CC2)cc1OC 788166138 IOQMMXRSQVORAG-UHFFFAOYSA-N 429.499 -0.640 50 20 IBGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 794722326 WOQBYWAEBZGQBW-AHMITGRASA-N 436.490 -0.069 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 806978363 XXDBOVWYNSFFFQ-VIFPVBQESA-N 426.451 -0.546 50 20 IBGD O=C(COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)NNC(=O)[C@H]1COc2ccccc2O1 914816091 FFSFPUHDPKVMIE-ZWNOBZJWSA-N 445.350 -0.072 50 20 IBGD C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 915480369 AMZCQQHLPQUDKR-CYBMUJFWSA-N 435.458 -0.036 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778047384 BSONJZCNPRMVMU-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779506124 XSUUZXWEHUUXJK-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331514 RDSXXWXREAUFMC-CMPLNLGQSA-N 432.183 -0.768 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788565738 NRHBHJKVQIZWCJ-VGWMRTNUSA-N 440.545 -0.953 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccc(F)n1 1788868382 KZHMDZVBYCGJSI-ZVZYQTTQSA-N 427.241 -0.192 50 20 IBGD COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1 1792714854 DGBNOBSARVXKNE-GQSCTRQFSA-N 448.520 -0.309 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3O1)C2)c1ccc(B(O)O)cc1 1795734498 PVPGJUWEODSMAC-JWWGGVBKSA-N 436.273 -0.427 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1796890636 CEWRUZKSYFPLOC-AEIVNDMOSA-N 443.464 -0.643 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891637 BZOGDSWAOFUNEC-COFVYEFASA-N 446.508 -0.090 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1c[nH]c2cnccc12 1797564658 MRTZJSVOPPQRGQ-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807711630 KGKXUMCVDAEANS-NHAYFPRASA-N 432.525 -0.817 50 20 IBGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335663 JGQWQTMHDMKEQP-CABCVRRESA-N 444.322 -0.037 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817479866 VTSWBANISBIEAC-INIZCTEOSA-N 448.310 -0.170 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831512769 WCIJKSGWBVMCQD-LFRPXUGBSA-N 449.508 -0.838 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1832284623 GDGVRJCRZRWAGM-KXBFYZLASA-N 440.313 -0.153 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ncc[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834797435 KSHPAEGZTHXPFE-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD O=C(Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834992275 DPYPNHMPWCNDNQ-HSZRJFAPSA-N 438.289 -0.321 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934396 YHMJWOFMMQBSTM-KKSFZXQISA-N 432.282 -0.973 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837457196 XRBXCVFFPROOLZ-NRFANRHFSA-N 440.460 -0.536 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840031701 ADMWDMHNBICGBP-BLLLJJGKSA-N 432.319 -0.934 50 20 IBGD COc1ccc(C2=S=C(C(=O)NNC(=S)NCCS(C)(=O)=O)C(N)=C2)cc1 729157289 VVJOVLSVIFCPSB-UHFFFAOYSA-N 428.561 -0.483 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 764401404 WCLVDMAWBXHVFO-LBPRGKRZSA-N 442.494 -0.393 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c(I)c1 765706032 FCWOEXJWYFZFBH-UHFFFAOYSA-N 446.201 -0.336 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nccc(N2CCOCC2)n1 771048818 WBBXESLKTHETAF-LBPRGKRZSA-N 449.493 -0.778 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786356124 AKSUNWACYDIMJN-KNCCTNLNSA-N 440.412 -0.585 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3cccc(C#N)c3)no2)n(C)c1=O 789983439 ICHHSBGLLOTRIF-UHFFFAOYSA-N 448.399 -0.578 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1C 798309561 IFFWGLUQBXALGW-UHFFFAOYSA-N 436.494 -0.200 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)OC)c(=O)n2Cc1ccccc1 842471233 ONEBBHVQFSYCTE-UHFFFAOYSA-N 430.421 -0.558 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 913429687 SMQRWFAEZHCTKW-CYBMUJFWSA-N 437.478 -0.580 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1C 1779028071 BTRJLPUTGQVCBD-FQEVSTJZSA-N 427.465 -0.516 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783534260 HGMSMBDJJMRYFC-RFAUZJTJSA-N 440.258 -0.961 50 20 IBGD Cc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784725981 ILNHNAZUHGYLPX-KKXDTOCCSA-N 441.492 -0.366 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1785521710 ONZGZGUJTUYDEZ-NRFANRHFSA-N 432.282 -0.601 50 20 IBGD CO[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1795172353 SFQPBKKLSWOUOW-KOUHRCEDSA-N 438.289 -0.043 50 20 IBGD CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797753797 FYHOIGCJGPJJIM-YWVIFJGQSA-N 445.476 -0.768 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339858 RJOKSBJUMWKHBZ-BZZMCLGOSA-N 447.540 -0.532 50 20 IBGD Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1804743271 FNDWALSKJSIYGM-APWZRJJASA-N 434.265 -0.477 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807368767 YOSPCHQVPYNJJR-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640094 KCCPMLDDZCDEJS-LRDDRELGSA-N 432.319 -0.934 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939742 ZFCSGRAWIWHJEP-IERDGZPVSA-N 447.297 -0.763 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837384790 ILLRTQPOWFDIEI-LBTNJELSSA-N 434.921 -0.596 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871537 KZGVJCLKXAHNIT-GDZNZVCISA-N 432.315 -0.248 50 20 IBGD C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(F)(F)F 1839892405 LVRMYBHAEKSJQZ-SFHVURJKSA-N 442.199 -0.445 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 725873228 WPSJLKBWUZBRAG-UHFFFAOYSA-N 449.489 -0.102 50 20 IBGD CCCn1nc(C(=O)NNC(=S)NCCNS(C)(=O)=O)c2ccccc2c1=O 727067535 MNZHJBIZEJHQCU-UHFFFAOYSA-N 426.524 -0.535 50 20 IBGD CCN(CC)CC(=O)N1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 728929947 FOHWLVIVKDYCFB-UHFFFAOYSA-N 435.525 -0.049 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Br)c[nH]1 746385692 JPWWHBNZJSFPAL-LLVKDONJSA-N 428.287 -0.281 50 20 IBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c2)C[C@@H](C)O1 748247067 TWODVKOGEKVDDL-ZIAGYGMSSA-N 438.506 -0.132 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 750658210 CMJQKZVSVLSFDM-UHFFFAOYSA-N 425.467 -0.368 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 752996471 DTFUFWUSHSLXQM-GFCCVEGCSA-N 446.555 -0.344 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1C 764154128 OGMFQVVZPCHKFW-HNNXBMFYSA-N 432.458 -0.007 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)Cc1cc[nH]n1 764293345 NFUAHXNBSSJIHK-UHFFFAOYSA-N 448.505 -0.281 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 808770191 NYZGIOZSMZGYEK-CYBMUJFWSA-N 429.568 -0.065 50 20 IBGD O=C(Cn1cnc2ccccc21)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 913495783 KWDASAVSFALWEK-LBPRGKRZSA-N 432.462 -0.651 50 20 IBGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778114950 ZAQAKORDGAGBFM-XMSQKQJNSA-N 445.325 -0.734 50 20 IBGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1778117887 CRIHSDNQFMTJJO-IIBYNOLFSA-N 439.557 -0.355 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)[nH]2)C1 1779780446 NOASVFYFZIQBOR-FOIQADDNSA-N 443.464 -0.445 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783883840 LVWWSDPFIPPAGO-SCLBCKFNSA-N 428.873 -0.659 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1783934102 YBXKWJBRFTYTEH-LAUBAEHRSA-N 432.525 -0.326 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978757 QYVBKRDJFOLTOS-WDSOQIARSA-N 447.366 -0.992 50 20 IBGD CC(=O)O[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(C)C 1788474360 DGPOQLQTIIQTIC-FRYIKTPZSA-N 446.309 -0.453 50 20 IBGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)no1 1795737457 IOVAVBUWRPDVHX-CCWDJLKJSA-N 427.266 -0.005 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(=O)nc2cccnn12 1796188844 UBLKYCCKSHOVDQ-BJWYYQGGSA-N 447.260 -0.665 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440175 GVSNNLDIUZCSEZ-MRIYFAAWSA-N 446.508 -0.423 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3nccc3c1)C2 1801011202 AUAOHDDQVMXLMS-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD Cn1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cc1O 1804893282 PHQVVCAYFHJUBO-OXQOHEQNSA-N 449.276 -0.166 50 20 IBGD Cn1ncnc1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805274814 DZEFIYRBBPAKLW-AEFFLSMTSA-N 434.265 -0.477 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807196259 TVMJYNXCFQMEMB-GQIGUUNPSA-N 447.540 -0.947 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807683329 RFBXWNXSUBALNA-DNVCBOLYSA-N 449.475 -0.309 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1810304914 HMKBFLWSKRYUFT-KXBFYZLASA-N 449.475 -0.309 50 20 IBGD O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCN1 1826216438 OZTRDWGUPHWKRA-OCCSQVGLSA-N 442.306 -0.425 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829927670 HZGRNZYUXYJVQX-JXFKEZNVSA-N 426.514 -0.615 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640066 ILRFCVRZLKTQPR-SUMWQHHRSA-N 446.346 -0.544 50 20 IBGD O=C(Cc1ccccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935491 HOZLSIOOBWTZJB-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836677188 WDDRTBMKHQTXKC-YJBOKZPZSA-N 447.374 -0.526 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837366868 MMLCTDYDTDGJLR-BDJLRTHQSA-N 431.287 -0.508 50 20 IBGD CN(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837800352 ADLNGFQREMZGRR-UHFFFAOYSA-N 431.342 -0.070 50 20 IBGD O=C(c1ccnnc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200877 RJRDKYMCTNGXSR-XHDPSFHLSA-N 433.234 -0.057 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1840184285 YKPVMBBTCJOMCO-NRFANRHFSA-N 435.525 -0.223 50 20 IBGD COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 11428354 FXLSBXUZVPTONX-QGZVFWFLSA-N 443.412 -0.044 50 20 IBGD O=C(COC(=O)[C@H]1CCCN1c1ncccn1)NNC(=O)[C@@H]1COc2ccccc2O1 728323631 OUQZCFZCQDAAEX-CJNGLKHVSA-N 427.417 -0.024 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cnc2n(C)c1=O 728847518 IOIMOMVWGHABHM-UHFFFAOYSA-N 438.448 -0.900 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2)CC1 730588555 FKYAHHWNIWESEX-UHFFFAOYSA-N 446.493 -0.849 50 20 IBGD Cc1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1S(N)(=O)=O 730894392 MIUPIZZQXPSQGR-HNNXBMFYSA-N 449.441 -0.213 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 744512809 NNSBQOIZNDMKPQ-UHFFFAOYSA-N 429.414 -0.640 50 20 IBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)C2=O)n1 745882232 GIWCQDKTWWDQGS-CQSZACIVSA-N 434.478 -0.037 50 20 IBGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 747843073 NEKSYRBCHMXHGO-UHFFFAOYSA-N 430.446 -0.807 50 20 IBGD CNS(=O)(=O)c1csc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 748914334 BMPBTEVPFBYAKD-UHFFFAOYSA-N 432.505 -0.032 50 20 IBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 763839058 FBAXHYPKTPBOHF-UHFFFAOYSA-N 448.411 -0.954 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 771256720 PDXQJMORKAOGLV-HXUWFJFHSA-N 443.416 -0.367 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 772067669 PLDXNQVORWGTNA-LLVKDONJSA-N 429.499 -0.382 50 20 IBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788895845 JUJXRSMEALVZFN-ZDUSSCGKSA-N 441.510 -0.482 50 20 IBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)cc1C 795303451 PCBWJIBMLAIAEB-SNVBAGLBSA-N 437.471 -0.010 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116145499 GZDHJLBWKUKPHN-JHNDHUHGSA-N 442.476 -0.607 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032388 PZNAMPQUJADUOX-SPLOXXLWSA-N 446.508 -0.567 50 20 IBGD CN(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cn1 1779760127 CDYKCWUKVRZHPI-JOCHJYFZSA-N 438.293 -0.415 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1782212356 WOZNOINCRMFWNK-FOIQADDNSA-N 434.497 -0.730 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1791291053 IYWQNVOUVYOJLF-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115588 BAKNDGKSSHPZRX-FQLMCAECSA-N 449.298 -0.144 50 20 IBGD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1795239738 CMIHTOBOBNLFOF-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796300563 WGEGYYJPBMZBTP-QKGCVVFFSA-N 449.932 -0.285 50 20 IBGD CN1CCc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)ccc21 1797017259 JKUFYGCFWGXPHJ-HATOLVCRSA-N 449.316 -0.124 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C)[C@@H]1SC(=N)NC1=O 1802332332 ALGAGTRQOZLECO-DJUFWWRVSA-N 438.554 -0.200 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cn[nH]c1 1835169827 VJTQJZRAISFWKM-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937164 QLMJPZQPWDJMKO-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837465969 RXQMDEJLHRUVJK-GOSISDBHSA-N 446.646 -0.222 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840150816 QUWUVMBSWQUTOC-IFXJQAMLSA-N 440.884 -0.496 50 20 IBGD Cc1nscc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183674 SYZSTEBGRDMVDS-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1840319175 UXNATQXRPHGVPI-WBMJQRKESA-N 436.303 -0.170 50 20 IBGD O=C(/C=C/C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)NCc1ccco1 1844343758 RDIVFIFXWVGQKZ-BQYQJAHWSA-N 437.261 -0.351 50 20 IBGD Cn1nc(C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)c2ccccc2c1=O 728150849 LZUYZIMRVXCMNV-OAHLLOKOSA-N 428.430 -0.575 50 20 IBGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n2)cc1 734993287 GQKYPUSRVSWYKM-ZDUSSCGKSA-N 437.478 -0.203 50 20 IBGD O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 741344564 XXULEODROJBTHS-LZICOFPGSA-N 444.400 -0.567 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 764230689 JLWZEUJYOIVIIY-PWSUYJOCSA-N 446.457 -0.593 50 20 IBGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764433453 NOIPCYZSFUUSAK-AWEZNQCLSA-N 428.467 -0.734 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c(NS(=O)(=O)C(F)F)c1 769633003 GJPOTNCGAYTSHX-JTQLQIEISA-N 445.422 -0.616 50 20 IBGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814316519 DECPQLYOJXOJHC-GFCCVEGCSA-N 437.482 -0.379 50 20 IBGD Cc1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)nc2c1c(=O)n(C)c(=O)n2C 817053159 GBDNQYSLZGUKKR-UHFFFAOYSA-N 446.489 -0.052 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)CCOC)c1 915616445 NASBECHVXYICJG-UHFFFAOYSA-N 435.524 -0.461 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)c1ccccn1)C2 1782210877 VHUJOIDHAXMSPZ-PIPMEXSNSA-N 446.552 -0.032 50 20 IBGD CC1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1784316447 QGOLAUJTNGCCJK-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288062 SLPPPLMAHJDJAU-UGUYLWEFSA-N 446.570 -0.980 50 20 IBGD O=C(COc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793936081 GJZGDQOCINHLKX-CWPLJXCYSA-N 425.250 -0.956 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncnn2c1)c1cccc(B(O)O)c1 1799852518 PYYZBUCDBJMUBB-REPLKXPHSA-N 433.277 -0.096 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1 1830210226 JRUYGRQVIBKWPA-ZWOKBUDYSA-N 442.896 -0.215 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830538214 YKQLWXASRCCCBW-CRAIPNDOSA-N 448.358 -0.194 50 20 IBGD COCC1(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1833460237 FCRRTBABSJAGQB-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 1834005947 HEPIGWJZJZEBIF-NRFANRHFSA-N 440.460 -0.536 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835316960 RUFOATGFQMCDOQ-XNJGSVPQSA-N 432.315 -0.105 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1C 1835928437 PYBVNUSTXXLIJK-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840156194 OSMRWUINVOZGND-RDTXWAMCSA-N 428.873 -0.434 50 20 IBGD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1840185117 GCYSTEOVTUTKIN-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD COC(=O)CCCN1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CC1 727061161 DJKAWHIHWGJMIJ-UHFFFAOYSA-N 426.499 -0.908 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 729276749 LFYCCUNJTUZUAQ-LSDHHAIUSA-N 440.522 -0.221 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2scnc2C)s1 746225228 VIBFSDTXDXYZFK-UHFFFAOYSA-N 431.521 -0.111 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 756834319 FHTQYXVBTFSDQE-UHFFFAOYSA-N 427.421 -0.155 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 763885784 NWGDLDVLBRYBQQ-UHFFFAOYSA-N 442.476 -0.313 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 765725976 XBLPFPMSVIVJSQ-UHFFFAOYSA-N 445.392 -0.798 50 20 IBGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2N)c2ccccc2c1=O 774322792 PDDOGWQTUXLAIX-UHFFFAOYSA-N 444.473 -0.262 50 20 IBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 779535542 CTBHTFCTLOPTSM-DYVFJYSZSA-N 439.538 -0.659 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NNC(=O)c1cccs1 789110385 HHSHNDHVAUMKEX-KRWDZBQOSA-N 438.462 -0.332 50 20 IBGD CON=CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 809570693 ZTCKGXAHKZFXHE-ZDUSSCGKSA-N 428.467 -0.268 50 20 IBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1OCCc2sccc21 815827115 MSJZSJNJCDALOX-BMIGLBTASA-N 446.489 -0.407 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779258478 XGYORDOQXOXIGE-LHSJRXKWSA-N 446.508 -0.567 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782277429 KFFNLIXPUYVSLP-NRFANRHFSA-N 440.265 -0.897 50 20 IBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)(C)C 1793194654 OHIPDZHYCSCTSJ-NBMJBFSESA-N 445.325 -0.880 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794323520 LNCRMUOGEZJYJZ-ZPLRYINRSA-N 443.464 -0.537 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795932247 UEDJXMGIUNYABH-IQOUGMIPSA-N 446.913 -0.705 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110193 SMWZGFDBRQTQRV-YFESCLGYSA-N 444.279 -0.748 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc2nc[nH]c12 1796143004 TXNCNJWQBJJBLF-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1798261102 KIVNGMUYLZXWNR-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1801011583 OYMHVEHLLZTMBF-YGVZQAFMSA-N 439.513 -0.522 50 20 IBGD Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1804743692 JLRHBQSHRBKHMQ-LPHOPBHVSA-N 434.265 -0.477 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806767497 XNTGAQBWCFNUMH-QFBILLFUSA-N 445.306 -0.874 50 20 IBGD CN[C@H](CC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)C(=O)O 1826085242 LDNJVYLZCVQACB-CMPLNLGQSA-N 440.526 -0.509 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737242 FROUWHWQSCCCHT-QOIOWGMHSA-N 444.912 -0.202 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1 1831932177 DZGWUSOIFZAHPV-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD Cc1ccoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457759 QAOIGTMSRACVOK-OAQYLSRUSA-N 443.460 -0.030 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839224922 RXJZTEYEBMZECN-IIBYNOLFSA-N 447.297 -0.763 50 20 IBGD O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839649288 IVHWYVZRSRZMHH-KSSFIOAISA-N 428.873 -0.829 50 20 IBGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CCN1 1840232347 UWCQNOCPGVQEQI-AXAPSJFSSA-N 436.278 -0.341 50 20 IBGD Cn1c(=O)n(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c2ccccc21 1843011256 KFWOWUKZIADWCW-UHFFFAOYSA-N 448.288 -0.463 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)NC(=O)NCc1ccccc1 1845039266 YFQYSVMERJBAIG-ROUUACIJSA-N 444.536 -0.741 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)cc1 26772646 DXMRVYGMFAFEQT-UHFFFAOYSA-N 443.507 -0.937 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cnn(-c2ccccc2)c1 733171564 QHFCNGBTSDVHTN-MRXNPFEDSA-N 426.477 -0.186 50 20 IBGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2O1 751537961 FFJQPKYKDRQJGO-YGRLFVJLSA-N 432.476 -0.703 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(-n3cccn3)c2)n(C)c1=O 755933563 UYHNPNTVZKHABW-UHFFFAOYSA-N 437.420 -0.528 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(N(C)C)n1 757754521 TZJVRTVZHLMGFY-UHFFFAOYSA-N 429.441 -0.944 50 20 IBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 763440906 OQRLQEQSSNIDKQ-UHFFFAOYSA-N 433.437 -0.143 50 20 IBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 763817498 LRKDZJYJWLCXOC-UHFFFAOYSA-N 425.511 -0.245 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 764302704 FNVUDRXHWUVNIP-UHFFFAOYSA-N 428.467 -0.398 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 764303851 PNAHSWMQWNVLJE-TXEJJXNPSA-N 428.467 -0.783 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 764344560 ZMNJFJQJXAHBBE-HNNXBMFYSA-N 439.428 -0.217 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc2O1 784005370 XSRZJNQUZWBWMK-CYBMUJFWSA-N 445.457 -0.835 50 20 IBGD COc1cc(C)cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 786151438 DBVSGRZOERPDCB-UHFFFAOYSA-N 429.437 -0.088 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)CN1CCCC1=O 789856440 GSAZGBHIBGQTJN-UHFFFAOYSA-N 430.508 -0.919 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1C 798309481 GFPBJTQMEFDXSJ-CWCFIDOXSA-N 428.445 -0.060 50 20 IBGD COc1ccc(S(=O)(=O)NCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1OC 810401561 VQCNILRBGRDXEN-UHFFFAOYSA-N 437.438 -0.492 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)CCN1 906309031 MSKWJGPHXAHWIS-UHFFFAOYSA-N 447.429 -0.210 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC(=O)N2CCCCC2)cc1 916473155 BLMAXJHMRCYYAZ-UHFFFAOYSA-N 425.511 -0.042 50 20 IBGD COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791133058 LDOVESUWKSGSQO-QAETUUGQSA-N 436.933 -0.365 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815669497 KHICBZIULLPNMR-KGLIPLIRSA-N 447.945 -0.268 50 20 IBGD COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1832762821 IRUXQBDZHZZLMQ-HNAYVOBHSA-N 427.885 -0.311 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840151036 VHBVVNWDJSIMSI-LIRRHRJNSA-N 427.885 -0.291 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)n1 1840185267 IIERLSVAFCIKMD-NRFANRHFSA-N 449.508 -0.461 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2C(=O)CCC2=O)cc1 733848511 OLICCBKSPWVHOU-UHFFFAOYSA-N 425.467 -0.905 50 20 IBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CC2=O)c1 746186726 ZUBGNAZWSIDVPP-GUYCJALGSA-N 444.469 -0.162 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-c3ccccc3)nc2O)n(C)c1=O 766643050 JXLLMMAQMDPNFS-UHFFFAOYSA-N 449.427 -0.338 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 799258968 LXWQFTRZKWOUAI-BBRMVZONSA-N 436.465 -0.258 50 20 IBGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c2ccccc2c1=O 800747651 NJQBAVIVAXCIHC-RISCZKNCSA-N 436.494 -0.405 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 808045580 NETXUEMNTNJHRL-UHFFFAOYSA-N 444.510 -0.279 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C(C)C 1778801800 KFQQRGYLBNVANV-AZUAARDMSA-N 426.514 -0.223 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779250196 CFDJYCUNVAMDLZ-YCRPNKLZSA-N 431.298 -0.885 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331658 OLHMOODIHJQBJB-BLLLJJGKSA-N 444.261 -0.181 50 20 IBGD Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)c(C)n2n1 1784090422 FSSBRCSSTAIQBJ-AJNGGQMLSA-N 436.900 -0.066 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1ccnc1 1784253742 OUZKUUZNMNTSNG-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785264959 KMIYCRZZWRYJBM-QFIPXVFZSA-N 442.252 -0.245 50 20 IBGD COCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CC1 1788607779 GYXNQDXKMCOILK-JQFCIGGWSA-N 431.493 -0.295 50 20 IBGD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793879253 SLTUUAZNPULFPY-RMEBNNNOSA-N 446.932 -0.157 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2cncn2c1 1797526956 PSPZUFZFUKJTCA-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797871540 ZOFXTOAOERYLBU-HAFSJTIUSA-N 439.900 -0.562 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805035682 VBUASXIFMBKOFS-UHFFFAOYSA-N 430.314 -0.518 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncnn2C)[C@H]1c1cccnc1 1813070653 KHVXUICVFJJYFX-YJBOKZPZSA-N 428.497 -0.097 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CN1 1825199489 UWWHPZPBCZMDBT-DGCLKSJQSA-N 428.279 -0.815 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826347 LYXYCLYBTWDPII-HNNXBMFYSA-N 441.344 -0.338 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839874880 FCCUKEFIPYARNQ-PBFPGSCMSA-N 434.331 -0.002 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840150432 LNHDDWICWLGCBF-FZKQIMNGSA-N 429.857 -0.591 50 20 IBGD Cn1nnnc1SCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 108416514 ZZEWBWBBKCPBDW-UHFFFAOYSA-N 439.523 -0.062 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 732196292 CHXSTPLLIQJGSV-XHSDSOJGSA-N 433.575 -0.460 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1 742033132 IFHSOAOVVFRNDI-GFCCVEGCSA-N 434.478 -0.198 50 20 IBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C(=O)N1c1cnn(C)c1 745918371 NXPABBOEWVDCFA-NHYWBVRUSA-N 438.448 -0.195 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746292692 NRWJGDFXXZFIDL-NSHDSACASA-N 439.494 -0.861 50 20 IBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 749352896 MVJCRYVVPWLPRD-CYBMUJFWSA-N 431.490 -0.499 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(O)CCC1)c(=O)n2Cc1ccccc1 753788621 CCHCGKVGOGQELT-UHFFFAOYSA-N 440.460 -0.510 50 20 IBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 776626380 BKSBFWDQSZAQJX-GSPCDJLXSA-N 439.515 -0.040 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Br)c1F 787542487 KHJBMJQIBVTSMH-YFKPBYRVSA-N 443.226 -0.249 50 20 IBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCO2 794393739 SXCVPZGJXRGNQQ-JTQLQIEISA-N 428.405 -0.887 50 20 IBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 919888563 FXAODMLZBAOWNM-SJCJKPOMSA-N 441.441 -0.890 50 20 IBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785031700 OWHZWSKPRVGGAD-YVNDNENWSA-N 435.250 -0.792 50 20 IBGD CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786817967 LEAHSXAPDQYPJX-PXZKYJSBSA-N 432.525 -0.348 50 20 IBGD CCn1nc(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979914 NTMXXZCYMWTWSG-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1C=O 1795747993 KGXJSNVISCKNDC-REGYPHIPSA-N 439.277 -0.555 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c2c1CCC2 1797048846 MKCCNJMGNACXCZ-HBCWATKFSA-N 432.525 -0.515 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)C1 1809974086 ORTFXFPATHKBFA-GOSISDBHSA-N 448.350 -0.212 50 20 IBGD O=C(CCn1ccnn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813431526 QMJISIYNZNUQQX-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832024675 NBJJLPGIQGONBC-KUHUBIRLSA-N 443.884 -0.988 50 20 IBGD CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1835910766 ZDXGQMAYOUNTHL-GOMWODOQSA-N 448.524 -0.425 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199940 AHBSQJPWPXOLKD-SWLSCSKDSA-N 433.234 -0.470 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nc2nccn12 1839547139 XKIYMSRVXOCBDM-HNAYVOBHSA-N 437.884 -0.293 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840156237 PFXYPVPOTROQOB-MLGOLLRUSA-N 433.918 -0.393 50 20 IBGD O=C(COc1ccc(O)nn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189731 JBBDHQFHKZDVBB-INIZCTEOSA-N 435.264 -0.179 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840344274 BRPDGICHTIJBCP-HQMUEHRGSA-N 434.497 -0.748 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 730514129 CAFMPTDWHUHGKI-UHFFFAOYSA-N 447.477 -0.437 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2)CC1 747322582 CEOOJYBDIISPTQ-UHFFFAOYSA-N 445.501 -0.062 50 20 IBGD Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cnc2c1c(=O)n(C)c(=O)n2C 747751011 GOHOGBDDCOEUNK-UHFFFAOYSA-N 425.401 -0.213 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)cc1 758829136 XEYWWDCBFCLUBD-FQEVSTJZSA-N 440.416 -0.357 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1-n1cnnn1 763571373 MRBFHFYSGKCFDE-MRXNPFEDSA-N 439.388 -0.403 50 20 IBGD C[C@@H]1Cc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc2N1S(C)(=O)=O 763823544 CQPGJWXRRJRIIQ-GFCCVEGCSA-N 431.474 -0.017 50 20 IBGD CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764233348 VFUSXRCPUGRELF-JTQLQIEISA-N 440.507 -0.382 50 20 IBGD COc1ccc2c(CC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)coc2c1 765727548 KMJCZLHHLZKZSR-UHFFFAOYSA-N 440.416 -0.421 50 20 IBGD COCCN1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766647370 GEMPKDIHTSPODZ-KRWDZBQOSA-N 431.493 -0.913 50 20 IBGD O=C(NNc1ncc(F)cn1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784950213 UIBGCJTVCFODBL-OAHLLOKOSA-N 430.396 -0.288 50 20 IBGD CNC(=O)CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 789902304 PUSVKDQOEWMOAQ-CYBMUJFWSA-N 442.494 -0.764 50 20 IBGD O=C(NNC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12)C(=O)NC1CC1 809969565 WABHZYILSDRWNA-WJQMWINMSA-N 448.479 -0.108 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783533090 QNHPJAVHDRPZCV-YVEFUNNKSA-N 425.088 -0.407 50 20 IBGD Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1F 1786979389 CRGPQCOCBDRYRV-XIRDDKMYSA-N 444.272 -0.545 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984667 XAVSDSJNFDEMFC-FNHZYXHNSA-N 425.250 -0.626 50 20 IBGD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787507735 NQCFGBBCPAHVQK-XUFZZIBESA-N 432.481 -0.764 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793117638 UIIGTBUZNRSOML-ZUWCUPBKSA-N 446.932 -0.007 50 20 IBGD O=C(Cc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795249054 GPPIONYPWRSDIW-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799358063 XMZLESFRDDTBPQ-AGGWBTHJSA-N 437.099 -0.503 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(O)ccc1O 1799791991 KQSCRKRSIPHMRD-HBCWATKFSA-N 426.234 -0.705 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3cncc3c1)C2 1801011616 SECNTMZARULQMV-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1801012708 GQWAQNUADLGACL-HBCWATKFSA-N 429.481 -0.466 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072409 BVZPSRDFDQABLB-ZTQAJYAQSA-N 432.525 -0.015 50 20 IBGD CS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817054533 OJWYMFRQJSFNLM-HNNXBMFYSA-N 434.283 -0.560 50 20 IBGD O=C(O)CSCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826110753 SIVVNSATWYQGNU-LBPRGKRZSA-N 449.319 -0.134 50 20 IBGD O=C(c1cncc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929197 GWTLPAANNNIUBO-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839081249 ZBSLCEMISMQZQB-QCBUCWTNSA-N 443.928 -0.557 50 20 IBGD O=C(c1cc(O)nc(O)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199528 PKKAOKLWWBYLHJ-ABAIWWIYSA-N 449.233 -0.352 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839963942 AVVFJCJLRSZXQI-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840065391 GSZIZNQFJQGADD-FQEVSTJZSA-N 431.229 -0.783 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 16146015 FVAZRFGJFYUWQT-HNNXBMFYSA-N 443.547 -0.014 50 20 IBGD COc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)n1 757687537 QZAMMQCQFBDUIO-UHFFFAOYSA-N 436.816 -0.656 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)COCc1ccccc1 763052549 PENCTFDBKHZRGY-ZDUSSCGKSA-N 434.474 -0.184 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-c3ccco3)nc2O)n(C)c1=O 766633221 ADMZAUNKBUSIHU-UHFFFAOYSA-N 439.388 -0.745 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccnc2SC(F)F)n(C)c1=O 766637969 WKXXSKZZFMIDSA-UHFFFAOYSA-N 439.404 -0.395 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 792023992 XYJCHJTXYXGQFF-IBGZPJMESA-N 435.506 -0.030 50 20 IBGD CN(C(=O)OC(C)(C)C)[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnn(C)c1 795526778 DYCKILROBCDUSZ-OLZOCXBDSA-N 444.514 -0.154 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C 798310238 VSZQTRNFRJSJAU-INIZCTEOSA-N 431.493 -0.430 50 20 IBGD N#Cc1ncn(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 807513378 MSULFUWXIPPZLC-UHFFFAOYSA-N 446.493 -0.031 50 20 IBGD CS(=O)(=O)C1(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCOCC1 1330379525 OWGNGYOFZYWTLF-UHFFFAOYSA-N 447.535 -0.256 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)n1 1779371256 XLDBWVRVQANXRK-FOIQADDNSA-N 442.480 -0.745 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786804023 SRHLMZOHSLPKNU-PEDHHIEDSA-N 433.347 -0.268 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1ccnc1 1788607783 HEMWUVAMVZVDRO-BODMPHMZSA-N 441.492 -0.264 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788656353 PZWGKIIVIULGPN-PYOGLGTISA-N 448.358 -0.210 50 20 IBGD Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1794047835 KBXMQTJHKHNVMQ-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754478 YQOPYQVREBGPAE-FVCICTRLSA-N 440.460 -0.890 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800641870 KXLGQGZKBYXPEI-USZNOCQGSA-N 440.298 -0.048 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2)C(Cl)Cl 1801016316 XVUIZWLREBLNJF-PTEHBNRSSA-N 428.338 -0.195 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803143064 SOOCWHGVXYEPRB-LTIDMASMSA-N 426.901 -0.162 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803143147 VKOAACLZVKJCHL-ORIJERBGSA-N 428.873 -0.248 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807369331 GZBBNOABXAFNQH-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cc(=O)n2[nH]nnc2n1 1817812772 KQWUASHBZOZNCV-GHMZBOCLSA-N 435.832 -0.559 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)COCCO)CC1 1828924064 JHIYSAMUUDWZTQ-GOSISDBHSA-N 433.509 -0.073 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1830538849 RSIZQZRHDCJHSQ-IGCXYCKISA-N 449.346 -0.079 50 20 IBGD O=C(Cn1ccnc1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834265799 FVYVOHIQNXQKTI-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449239 BOESIOZTMOPCLK-MAUKXSAKSA-N 448.358 -0.052 50 20 IBGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838762093 BYBNGTNRHKKNHW-XPTSAGLGSA-N 441.794 -0.507 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838954321 DDZFVJWPUYVGNU-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839155226 ORSWAOOTMIXBKC-QZTJIDSGSA-N 448.303 -0.396 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840818376 YQEWBTLYJPXZLA-UZLBHIALSA-N 437.880 -0.007 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384879 UVBHFXJKUNSNJX-HYARGMPZSA-N 431.497 -0.303 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732235743 IQUHLDAQTJSGRM-CQSZACIVSA-N 444.510 -0.107 50 20 IBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O 746092272 IBDVOWWVFIDHMK-SFHVURJKSA-N 430.553 -0.244 50 20 IBGD COc1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Br 747613934 YOKDLRKKPWBGKQ-SSDOTTSWSA-N 430.302 -0.295 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 763028909 DQTKHARZUZTYIL-BZNIZROVSA-N 432.458 -0.397 50 20 IBGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763569675 AEJMYXNETKUUIJ-MRXNPFEDSA-N 428.401 -0.133 50 20 IBGD COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CO)ccc1C 764421861 ROHUGFNYYRNAHF-UHFFFAOYSA-N 436.446 -0.117 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772907662 ZAIBXLKDXHGBPZ-JTQLQIEISA-N 442.885 -0.796 50 20 IBGD CC(C)CCn1nc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)c2ccccc2c1=O 782702404 QVUBDHHFXSIEKA-UHFFFAOYSA-N 430.465 -0.592 50 20 IBGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)C(=O)NC2CC2)c2ccccc2O1 782966005 KFOAKXRVBNTENX-MRXNPFEDSA-N 445.476 -0.489 50 20 IBGD O=C(NNC(=O)N1CCOCC1)c1ccc(C(=O)NNC(=O)N2CCOCC2)s1 813427960 PWESQRWGSARWFC-UHFFFAOYSA-N 426.455 -0.879 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)C1=O 816876172 PSEFJDMCGOSHMF-ODXCJYRJSA-N 441.448 -0.536 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778630061 WXZAPJOTHCIPOT-FQEVSTJZSA-N 440.290 -0.167 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1786984282 YLENLQHGWBIWDZ-LYCGJJAPSA-N 441.337 -0.700 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncn3)[C@H]2C1 1787567117 QNFJHHHTCGLPIM-NUTKFTJISA-N 425.449 -0.618 50 20 IBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1789869122 YABKQQLMLMWXPY-GUUCOKDPSA-N 435.308 -0.246 50 20 IBGD COc1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735236 RFENFKUTRLYTRP-XOIINTDNSA-N 430.291 -0.047 50 20 IBGD COCCOCCOCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192123 KTPIQGFIPAPBQR-ACDBMABISA-N 448.325 -0.312 50 20 IBGD C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799304887 GSCKLUUVWOZLIQ-HGKCTWBKSA-N 430.266 -0.921 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1813070392 GTOPGAPTBLRFAU-QINHECLXSA-N 430.509 -0.261 50 20 IBGD O=C(NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccco1 1830724198 WIXAGFMWMGLKSS-FZKQIMNGSA-N 429.857 -0.935 50 20 IBGD O=C(NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccc[nH]1 1830725053 DBMDKGPYUYUIGC-KXBFYZLASA-N 442.900 -0.809 50 20 IBGD C[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551448 OGGVLHDAVHPEMG-NJSLBKSFSA-N 449.932 -0.044 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833559982 LVJVWOCBDJKMBQ-SFHVURJKSA-N 443.888 -0.229 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ccnnc1 1834140109 DJZUEACJNCOCQO-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928061 CPGCPNIUICBMNF-OAQYLSRUSA-N 445.256 -0.772 50 20 IBGD Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937408 UKDYTUMEXUZOKY-OAQYLSRUSA-N 427.266 -0.613 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1837270496 DNXNGFJJBDTMLO-INIZCTEOSA-N 445.318 -0.439 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1837377082 HMPYABPBCRWFOW-DYVFJYSZSA-N 449.346 -0.065 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1846385045 NZZHUKQNVQBTIX-UHFFFAOYSA-N 443.570 -0.766 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 14057366 LLFMGXZYXKDTDW-UHFFFAOYSA-N 445.457 -0.599 50 20 IBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1 16785687 AHXSPHGXDSYHKQ-AWEZNQCLSA-N 445.519 -0.788 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 740851199 ULLCJUCGVFLKIS-SOUVJXGZSA-N 444.554 -0.452 50 20 IBGD CC(C)Cc1nnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 755411940 MUEALWKIWCTWLE-UHFFFAOYSA-N 435.470 -0.663 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2c(F)cc(F)cc2F)n(C)c1=O 756801810 NYNXLOCDMGVLQF-UHFFFAOYSA-N 425.327 -0.296 50 20 IBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)c1 758034538 HAXDFDXANYAUST-SMDDNHRTSA-N 442.494 -0.607 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 763665589 KOTBDMWUNQLWGM-UHFFFAOYSA-N 440.460 -0.200 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccoc2Br)n(C)c1=O 770622282 OQEBJZQUPRVNCJ-UHFFFAOYSA-N 425.199 -0.750 50 20 IBGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)n1 784002600 IDIQLNUAFBMOKF-UHFFFAOYSA-N 442.432 -0.243 50 20 IBGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031234 OLPQBTJZLUACCH-LJQANCHMSA-N 429.437 -0.679 50 20 IBGD Cc1ncncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032152 CMPMSSNKELFGMA-FQEVSTJZSA-N 425.449 -0.459 50 20 IBGD CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)o1 1785883467 ZCUKQEDHMHURPV-XIRDDKMYSA-N 442.281 -0.673 50 20 IBGD Cc1noc(N)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786836064 DSESQSIZTRFVMN-BPUTZDHNSA-N 428.254 -0.848 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788654801 DELXUHWEGRIJOJ-ALCWZJMGSA-N 438.352 -0.147 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 1789391666 UDTPFWCFWYFDFE-QRTARXTBSA-N 442.237 -0.490 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c[nH]c2ncccc12 1796875796 FIVJFAONXHBDNA-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccccc13)C2 1797750726 OLCLMBRQDNYYOM-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2 1797754105 VQOPTWXOCJTRKK-XTLZNBHUSA-N 429.502 -0.237 50 20 IBGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CC1 1799346735 ZHVHSHXXQFDQDA-OCVGTWLNSA-N 435.338 -0.096 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1800643505 UCWNSYFIHCHQMZ-LSCVPOLPSA-N 434.287 -0.708 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1800983361 ZOMPVWKQYTUVDO-QVHKTLOISA-N 428.873 -0.899 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971357 SOVJWTQKHZNRDS-INIZCTEOSA-N 444.341 -0.081 50 20 IBGD N=C1NCCN1CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050634 BCAPDOXLCAFURX-LJQANCHMSA-N 441.341 -0.560 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054708 HVIFFBJJIMENRD-OALUTQOASA-N 444.341 -0.808 50 20 IBGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccco1 1830724202 WIXAGFMWMGLKSS-UGSOOPFHSA-N 429.857 -0.935 50 20 IBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1834821390 HMSWZHYCRPMCNK-INIZCTEOSA-N 445.270 -0.257 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(C)(C)C)CCO2 1835619762 NPJRZHYRMSEKDV-HXUWFJFHSA-N 427.546 -0.796 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836046253 ZWYRPLRAOPXIQT-IBGZPJMESA-N 439.538 -0.485 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648773 UJAHIHCUMDYOMK-RVKKMQEKSA-N 429.905 -0.376 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[nH]3)CCO2)C1 1837785755 VGUUFMIPLMFGJA-FQEVSTJZSA-N 428.449 -0.603 50 20 IBGD CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1838193858 ZOXJCFRWCPMDCN-DNVCBOLYSA-N 426.901 -0.183 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840149215 IOACUFDYLFYMBH-CRAIPNDOSA-N 435.974 -0.255 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 742479132 VBYCBGQXRLHMOQ-UXOAXIEHSA-N 449.489 -0.707 50 20 IBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Br 747600047 DQXGQBRVRRRWDD-ZETCQYMHSA-N 441.281 -0.109 50 20 IBGD CCCCCn1nc(C)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756868362 SFNHSTWSKIJZMA-UHFFFAOYSA-N 445.484 -0.018 50 20 IBGD O=C(NNC(=O)c1ccccn1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763468383 XXVAMWUJTHGHFW-KRWDZBQOSA-N 439.428 -0.504 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 771916270 YYRPXQKVCAIREZ-LBPRGKRZSA-N 440.478 -0.419 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cn1C 783264472 RBVPFPLDACIKDD-UHFFFAOYSA-N 438.466 -0.025 50 20 IBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc3ccccc3)C2=O)cn1 793028834 RTYJTGYEYDTYLE-HNNXBMFYSA-N 429.437 -0.218 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 795169602 RFSOSLYFVBHHBV-UHFFFAOYSA-N 432.462 -0.361 50 20 IBGD CO[C@H](C)CS(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 800832062 KFRFUMYPYOEWPV-CQSZACIVSA-N 449.551 -0.374 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CNc2ccccc2)c1 823328195 PLIUKDDHVGMGST-UHFFFAOYSA-N 433.490 -0.074 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 863997246 XVRDMDQMLBIBES-CQSZACIVSA-N 436.490 -0.005 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753255 GTMKMCYQAWOUON-BZNIZROVSA-N 434.287 -0.467 50 20 IBGD O=C(CN1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786711491 KPYDHPZICLAVHB-IHPCNDPISA-N 429.326 -0.554 50 20 IBGD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cs1 1786984482 LSMSFYCHGDQWRH-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791286720 HLCFPDZFKQEZBR-FUYDUDRRSA-N 435.525 -0.803 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1792189076 PSSAQLBKNTUKMM-XSLAGTTESA-N 439.557 -0.356 50 20 IBGD NC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1795671649 RWGBQBWXVPSYES-KOUHRCEDSA-N 437.305 -0.688 50 20 IBGD N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736892 NGLHXFNYHAQHFD-OPMZPASUSA-N 449.272 -0.480 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797967036 VGWBCADQSQEQOJ-TVKJYDDYSA-N 434.331 -0.242 50 20 IBGD COCCOCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806757876 VZOGWMGOBJDVNL-NQIIRXRSSA-N 441.293 -0.256 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827189068 XPXHBYGDBIWPKT-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C(CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)N1CCCC1 1830726359 QIMZEFJWHUSPAG-BEFAXECRSA-N 431.917 -0.555 50 20 IBGD CN1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833621840 UZPISMHWRRFLTK-NRFANRHFSA-N 442.369 -0.354 50 20 IBGD O=C(CC1CCOCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835418617 UCWUOUFJQIAJFE-JOCHJYFZSA-N 446.309 -0.747 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1835934379 RGBCUWRSYDHZSU-FXAWDEMLSA-N 434.323 -0.668 50 20 IBGD CC1=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)CCO1 1837457779 QSEKHLFNGKLFBG-OAQYLSRUSA-N 445.476 -0.551 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cnnn1 1837717289 AQBSRMCWCZREIE-WMLDXEAASA-N 426.550 -0.458 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837911250 IIAPQNFGUQZCNK-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1839141812 UMJQBOOEFGRWFY-GRDNDAEWSA-N 439.962 -0.212 50 20 IBGD O=C(C1CCC2(CC1)OCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839772962 PTWOZPYZKDAKMU-APWZRJJASA-N 446.928 -0.024 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840030529 ONLIFKGBVUITMB-PXAZEXFGSA-N 445.314 -0.166 50 20 IBGD C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840182723 QYJNTRZPINFPBQ-OAQYLSRUSA-N 440.541 -0.201 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 740851877 ZVRGBNWHGSGHOK-UHFFFAOYSA-N 426.495 -0.227 50 20 IBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)c1 752285657 VZEGXIHSAMCGOY-NEPJUHHUSA-N 425.463 -0.361 50 20 IBGD COC(=O)c1ccc(F)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755846841 BWMXNNSNILGMCU-UHFFFAOYSA-N 447.383 -0.788 50 20 IBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 755960694 ATFGQTBUCHGCBL-UHFFFAOYSA-N 434.496 -0.657 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCO[C@H]3CCOC3)nc2)CC1 757247065 HBMKLZPBKAETNQ-HNNXBMFYSA-N 442.542 -0.161 50 20 IBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)NC1CCCC1 758038345 CMFGHYGQKXPIFW-GFCCVEGCSA-N 446.551 -0.085 50 20 IBGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 763832478 UFCROHTXOSRWQJ-UHFFFAOYSA-N 429.481 -0.477 50 20 IBGD CN1CC[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 771912852 IDQPEMHIYIUQPS-INIZCTEOSA-N 438.506 -0.734 50 20 IBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 792020527 DTBFNZFTMYYRTH-KRWDZBQOSA-N 442.881 -0.330 50 20 IBGD O=C(NC[C@]1(N2CCOCC2)CCSC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916636445 CQUNEJNBDVLNSS-GOSISDBHSA-N 432.510 -0.186 50 20 IBGD C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1337715837 HUJKAULYTJGYEK-JWNZJDHWSA-N 432.524 -0.582 50 20 IBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779029306 VQPXNZCMRLVXQK-FQEVSTJZSA-N 445.455 -0.133 50 20 IBGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)c1 1780552168 GLHSOTIJBIXGMU-JOCHJYFZSA-N 440.261 -0.162 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1(O)CCC1 1783511469 AMZPTCHDEGXRAW-CBVHJVASSA-N 430.310 -0.489 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792132352 JPBNKJOPMCLUDH-AJNGGQMLSA-N 442.900 -0.509 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccn2ccnc2c1 1797445201 GUSMOTGFOAQIOO-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1801010518 AIKBRNDTSUZIML-YVWYUNDQSA-N 448.524 -0.903 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803143145 VKOAACLZVKJCHL-HLPPOEQASA-N 428.873 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834197001 DLJMOFZIMOIPLO-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1834665353 RLHCZRBCKOAWJS-AWEZNQCLSA-N 428.829 -0.183 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnc[nH]3)CC2)CC1)c1cccc(B(O)O)c1 1834801312 ZXCOBMPVLZZFKP-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335426 HWYJPNMEEJTBTK-QGZVFWFLSA-N 445.398 -0.293 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202310 AIGOAWWSDVZJKU-GDBMZVCRSA-N 448.245 -0.942 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840575735 PNPZYUSCYTUJPY-PXNSSMCTSA-N 434.323 -0.668 50 20 IBGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)cc1OC 726716477 DLNWTNYEYISFPV-OAHLLOKOSA-N 432.477 -0.135 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 740852586 DGULWMNUYYCIDG-UHFFFAOYSA-N 442.274 -0.655 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 758042902 BVKVSLOHNPOELR-ZFWWWQNUSA-N 446.551 -0.687 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1I 758044002 LIGDADUZQDRFEJ-ZETCQYMHSA-N 441.247 -0.002 50 20 IBGD COC(=O)c1cn(CC(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)nn1 763152885 JOFICGGIWKTLOW-UHFFFAOYSA-N 429.393 -0.067 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1C 763664859 KMODDDYIZAADRL-UHFFFAOYSA-N 441.444 -0.317 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 771952053 UREGILTVIMJHCD-NSHDSACASA-N 428.467 -0.844 50 20 IBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)O1 775459722 FYRIYBUBIWQCNH-HIFRSBDPSA-N 441.510 -0.483 50 20 IBGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 806737303 TYYQTBKUSKMCBO-NSHDSACASA-N 449.507 -0.297 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC2)cc1 919689118 YERDXEPFTHEVFY-UHFFFAOYSA-N 447.535 -0.322 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 920297355 CEEGAIYGXFLIAT-KGLIPLIRSA-N 446.551 -0.519 50 20 IBGD O=C(COCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)NCc1cccnc1 1321636157 BTCYPUXRMMAQCX-UHFFFAOYSA-N 427.465 -0.432 50 20 IBGD COC(=O)C(=O)NNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1339820435 YWMWMFDYKFLNGS-UHFFFAOYSA-N 431.428 -0.054 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777982451 MERLEEXEOJFVFQ-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029234 PEXBJEQVZDWKCF-HXUWFJFHSA-N 427.465 -0.516 50 20 IBGD Cc1ncncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779668829 LKHOJHADJLGENJ-HXUWFJFHSA-N 425.449 -0.459 50 20 IBGD CCc1nc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)co1 1779702885 HPQSVMUQRVWYEF-HXUWFJFHSA-N 428.449 -0.007 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781314223 BOESWOPFHXNFEU-LIRRHRJNSA-N 449.932 -0.043 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979489 PDSCZWZYYKTYOW-WBAXXEDZSA-N 426.234 -0.773 50 20 IBGD CN1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)C1 1786984833 OSQHVSKONWDEDZ-ZULIPRJHSA-N 429.326 -0.699 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607888 SELYIDZITVRCSB-RUGDWHBFSA-N 446.508 -0.807 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc3cnccc13)C2)c1cccc(B(O)O)c1 1795740371 YZXBZGZNOGKFJJ-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD CCc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740372 ZATAHYZDOOXHIC-CCWDJLKJSA-N 427.266 -0.258 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800762126 OIBLRXTZFZFZSA-ZVXAKGHKSA-N 429.271 -0.066 50 20 IBGD O=C1NCCn2nc(C(=O)N3CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]3c3cccnc3)cc21 1803141190 LYAXNNIUHRVRNA-XYPHTWIQSA-N 446.895 -0.059 50 20 IBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810306327 WMDMSTNQUOCMQP-DNVCBOLYSA-N 439.476 -0.464 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830200002 IKJNPXCPCZAXMZ-SLFFLAALSA-N 429.326 -0.678 50 20 IBGD COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830728057 NYUXXNQZCUCTRA-YJBOKZPZSA-N 430.889 -0.801 50 20 IBGD COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1832762823 IRUXQBDZHZZLMQ-KXBFYZLASA-N 427.885 -0.311 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836907208 BPTDVCMFLBZYMG-HNNXBMFYSA-N 445.325 -0.510 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838331041 STRBHGRNJXBUPC-KPZWWZAWSA-N 425.873 -0.337 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840036065 DGNQKGYYOJGMEW-AHIWAGSCSA-N 432.315 -0.248 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1cnnn1 1840479189 OSFRQVXVKNWXML-GYSYKLTISA-N 435.254 -0.619 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1843417129 ZPMFPUHCVPGYTI-OEAKJJBVSA-N 425.449 -0.419 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2CCC[C@H](C(N)=O)C2)nc1 745830231 MOWVTHKSLZQRMT-AWEZNQCLSA-N 441.558 -0.018 50 20 IBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 754182091 LSQHYYODPZFQIH-UHFFFAOYSA-N 430.464 -0.439 50 20 IBGD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 755088384 XQPJSGISBRSOFC-HNNXBMFYSA-N 441.496 -0.355 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCCS(=O)(=O)C3)nc2)CC1 758659306 RZLFFTIMXJKCMF-ZDUSSCGKSA-N 446.555 -0.779 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 760203286 JKEDSXHGDNIGHF-ZFWWWQNUSA-N 441.510 -0.306 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 764325028 ASRDDRGNAQERFM-HNNXBMFYSA-N 434.449 -0.023 50 20 IBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@@H]2COCCO2)(S(C)(=O)=O)CC1 796848340 QNKBQEGHEDNWFI-LBPRGKRZSA-N 435.499 -0.637 50 20 IBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916096025 CBTYIPXGUWURKM-UHFFFAOYSA-N 444.535 -0.342 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCOC1)C2 1779374838 FMUAYMDKQYHNRZ-SOIKWTOOSA-N 431.493 -0.151 50 20 IBGD O=C(Cc1cc[nH]n1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781562568 IRGYJZMRPLUQKZ-WIYYLYMNSA-N 426.282 -0.540 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389766 RCXFOFKJWJFVPF-SFHVURJKSA-N 446.493 -0.961 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2)c1ccc(B(O)O)cc1 1795732960 UWJMOIZNDKSKHS-FVCICTRLSA-N 445.668 -0.363 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1c[nH]c2ncccc12 1796875851 HEUABBGTFGXERU-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD COC[C@H](Cl)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822374958 AGICRTFCKWSDAL-DZGCQCFKSA-N 431.921 -0.058 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCS(C)(=O)=O)CC2 1826091841 FSHMIACRCBJGNZ-NSHDSACASA-N 445.567 -0.137 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1cccc1C=O 1830724573 YGWXQLNXCCFBII-IDHHARJASA-N 427.885 -0.082 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1831641152 WIYAOYZZRWIULT-SCLBCKFNSA-N 430.889 -0.598 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834003654 SCHQKRBDKLBHAT-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834315238 SHXGSVCHAYFXAP-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1)C(=O)O 1835753476 CZQGKKCOXVJAHS-LRDDRELGSA-N 436.303 -0.710 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253481 KBRRGELKZHYFGI-WIXIHDJSSA-N 429.901 -0.469 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1837718172 YWOKTRNYFLCLQG-SFHVURJKSA-N 425.562 -0.024 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839126604 ZQIMZTYCHFODFO-JTSKRJEESA-N 428.294 -0.207 50 20 IBGD O=C(CCn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203693 SLIPVOKJCCAWJM-UKRRQHHQSA-N 434.266 -0.185 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840035427 RGSIPSHOQQLFST-CXAGYDPISA-N 443.298 -0.517 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840154329 SUKMHUUMIVRBIZ-ABSDTBQOSA-N 446.976 -0.668 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840183963 KPDPVQCGNFSKNH-SFHVURJKSA-N 440.526 -0.832 50 20 IBGD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014712 SOEFAOVSDLOJER-UNOMPAQXSA-N 437.261 -0.046 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 9930774 YOWKVPITCPRTAO-CHWSQXEVSA-N 435.458 -0.343 50 20 IBGD Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1S(N)(=O)=O 26745565 OQZDDVSMRMNVDD-UHFFFAOYSA-N 440.503 -0.032 50 20 IBGD COC(=O)N(C)CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 729296329 YRTJCTBVAQOEGA-UHFFFAOYSA-N 442.494 -0.053 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 763886105 QMBQKYHFNHDYPB-UHFFFAOYSA-N 434.478 -0.174 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNc2cccc(OC)c2)c1 764321274 RTUQIIYZFXWZPR-UHFFFAOYSA-N 425.467 -0.179 50 20 IBGD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C(=O)NNC(=O)CO 764421985 PCFNSEUOXZJQRN-UHFFFAOYSA-N 428.467 -0.662 50 20 IBGD CCOc1ccc([N+](=O)[O-])cc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818923 XUUBVOWSCVRDIB-UHFFFAOYSA-N 429.393 -0.109 50 20 IBGD N#Cc1cccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 773685446 LEYAKNXDKJUWPK-UHFFFAOYSA-N 442.457 -0.239 50 20 IBGD O=C(COC(=O)C[C@H]1CCCS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 815282795 NRBGUSZISVBKNQ-DOMZBBRYSA-N 426.447 -0.268 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CO[C@@H]3CCOC3)CC2)cc1 1116302509 WRCAMDBKJRNVFR-MRXNPFEDSA-N 440.522 -0.746 50 20 IBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(CCN2CCOCC2)C1 1318522983 VWMXSSXHDOXNQA-GOSISDBHSA-N 446.556 -0.570 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1779030207 JXFBHKUEZRRVGJ-QGZVFWFLSA-N 441.391 -0.761 50 20 IBGD COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)/C(C)=N/NC(=O)c4ccc[nH]4)CCO3)C2)CC1 1783214584 ISUHXZLLSUIDGU-RXULLKCLSA-N 445.476 -0.097 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783528920 DOFXINITLNEAES-JMSVASOKSA-N 440.360 -0.073 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cc(C)on3)CCO2)C1 1783877631 MDIOLPTXODVFBB-SCLBCKFNSA-N 428.873 -0.203 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979874 NNGMQSAHIIGVFO-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21)c1cccc(B(O)O)c1 1786984027 KJPBWYJTDKDMFZ-QRTARXTBSA-N 448.235 -0.135 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(O)nc1 1789300101 OGWZBHRDWGRHTK-SZMVWBNQSA-N 425.250 -0.626 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1792868853 RZAKRFZBYVAYOS-NJBDSQKTSA-N 431.287 -0.841 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1801337116 OLRYQRDMTOEIHM-RMRDIRSESA-N 426.282 -0.664 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1813073177 HXNXEUKKOXEEJG-FTRWYGJKSA-N 430.509 -0.404 50 20 IBGD CC(=O)NCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821978531 HGPQYQWKOZUDMT-KRWDZBQOSA-N 427.270 -0.078 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cncn1 1826786885 SEDZHTNSXPKVRY-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)[nH]1 1833579187 OWUJAXCUNXSIMV-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ncc[nH]1 1834033486 RRRKCQGCQHITRE-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927086 DHZDMFMDVCDZFS-PXNSSMCTSA-N 438.717 -0.156 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838969332 AOZNNEZOYKPQTR-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839782824 KIYLPZFBRVYLDS-QAPCUYQASA-N 448.614 -0.129 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839785423 QQLLSAKBADEWRL-JJRVBVJISA-N 438.930 -0.726 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840183639 QUWOLPSNUKAMOB-QHCPKHFHSA-N 442.516 -0.133 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840263292 NAHAAGHBZILAPL-IBGZPJMESA-N 439.541 -0.781 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCOC[C@@H]2C)cc1 729613790 IBZPGYSGUBVLAT-HNNXBMFYSA-N 427.527 -0.333 50 20 IBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)C(=O)NN=C1CCCC[C@H]1S(C)(=O)=O 741451188 DNPLGDGEMKBPTC-ZIAGYGMSSA-N 434.540 -0.095 50 20 IBGD CN1CCO[C@@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 746101315 XKUMVOLRMGFRPX-QGZVFWFLSA-N 440.522 -0.882 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2)C[C@H](C)O1 748246815 PVXZVVNTIRQETC-KBPBESRZSA-N 438.506 -0.132 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccccc2Cl)n(C)c1=O 765126424 RJIDFSAVEKCBPR-UHFFFAOYSA-N 426.842 -0.903 50 20 IBGD CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 782079291 XQYKGBIHYMXYDU-ZDUSSCGKSA-N 440.526 -0.559 50 20 IBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 795781632 XCSFLTVVRXRFRP-IBGZPJMESA-N 432.389 -0.180 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913155967 LRZKSKXMYZVATO-UHFFFAOYSA-N 443.445 -0.396 50 20 IBGD CC[C@@H](C)NC(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 918085230 OVIJHUXXPKTNME-CQSZACIVSA-N 441.558 -0.051 50 20 IBGD Cn1ccnc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1=O 1319352040 BWBQTMGDVCUAEI-GFCCVEGCSA-N 433.446 -0.139 50 20 IBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1322956361 BBHKPJGZKAQJCY-HNNXBMFYSA-N 439.513 -0.092 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019357 OPERUTJUKLMBRM-UQQIOGDDSA-N 443.508 -0.400 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1783935590 VYXCRNHMCFZAOF-JLHGSKIFSA-N 449.552 -0.410 50 20 IBGD COc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984449 HOCJUDSAKLZANP-SNRMKQJTSA-N 439.277 -0.323 50 20 IBGD CC(=O)O[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(C)C 1795734341 MSQIWJBNUJRLAD-NBMJBFSESA-N 432.282 -0.843 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737329 AMJOXUQLMKMZEW-REGYPHIPSA-N 438.293 -0.535 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1797586684 FAJIERYNQRYZNT-GACTXADBSA-N 426.297 -0.123 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)N1CCN(C)CC1 1799182100 FMWAFJHFPJJLBN-MPTYRVRUSA-N 431.375 -0.003 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071589 UNNJQRPYOSCZTK-GJYPPUQNSA-N 447.540 -0.093 50 20 IBGD O=C(CN1CCCC1=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339968 YACVJPKKYSGRDY-CQSZACIVSA-N 442.306 -0.329 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830543272 OMJSASOOYDEMNV-XJKSGUPXSA-N 430.303 -0.235 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@H]1CCCO1 1834899897 FDBAORIQNPULCO-HXUWFJFHSA-N 429.326 -0.269 50 20 IBGD Cc1occc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929575 WYUDLFBLPDZMTF-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837459584 SKOURNWXKNVBIN-KDOFPFPSSA-N 439.419 -0.590 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)n(C)c1=O 1841984657 YNSAFGZAWJOWMC-GFCCVEGCSA-N 426.836 -0.829 50 20 IBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153694 YQHOUOZZTKMKJT-HNNXBMFYSA-N 448.911 -0.017 50 20 IBGD COc1cc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc(OC)c1OC 29313341 HLMVKHSFQXBDGM-UHFFFAOYSA-N 443.416 -0.267 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COc2ccc(C(N)=O)cc2)CC1 735117020 LKCWSDZDXXDZEF-UHFFFAOYSA-N 448.505 -0.361 50 20 IBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCO1 742054816 JQHGOZCVXGBDHR-STQMWFEESA-N 434.515 -0.080 50 20 IBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 746972520 KPZHEHRPVRDCIC-UHFFFAOYSA-N 440.570 -0.143 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cnn(CCN2CCOCC2)c1 763575048 PPGIJDGHHNKTLH-KRWDZBQOSA-N 444.448 -0.859 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1C 764432688 JKQFJBXTTQJEDK-AWEZNQCLSA-N 442.494 -0.473 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc(Br)c1F 764664142 QQZDEEWFEYQQHQ-SNVBAGLBSA-N 448.201 -0.124 50 20 IBGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 778554321 OBDAFUXYSVWNKG-LLVKDONJSA-N 433.433 -0.173 50 20 IBGD CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 782078219 SZHFSRBPQGDJLH-MRXNPFEDSA-N 437.522 -0.062 50 20 IBGD O=C(COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1ccccc1 786995840 HOOCVUJUXSGHJX-KRWDZBQOSA-N 432.477 -0.296 50 20 IBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)[C@H]1COc2ccccc2O1 791294115 FFKDSGBAFKVMBA-CQSZACIVSA-N 431.430 -0.171 50 20 IBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)cc1C 793022306 UUKVXLXZLAUAQM-SNVBAGLBSA-N 429.426 -0.169 50 20 IBGD O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)NNC(=O)c1ccccc1 914982440 UAQXJHWTGSVZDG-UHFFFAOYSA-N 437.430 -0.082 50 20 IBGD COc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)NC(C)C 1317963213 ZXKITQSACWYRQF-ZDUSSCGKSA-N 427.479 -0.206 50 20 IBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(CCN2CCOCC2)C1 1318522984 VWMXSSXHDOXNQA-SFHVURJKSA-N 446.556 -0.570 50 20 IBGD O=C(COC(=O)[C@H]1CC12CCS(=O)(=O)CC2)NNC(=O)[C@@H]1COc2ccccc2O1 1320938003 GWHOOLNQTVKDCR-DOMZBBRYSA-N 438.458 -0.268 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1cncn1 1782214433 QNBLATPNYGKRFN-JXXFODFXSA-N 435.529 -0.274 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782360588 RUXSBSXNRFYOMY-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784093880 IRZRGUVVCOXAAK-JBJRXJHCSA-N 438.912 -0.221 50 20 IBGD COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978295 PHHTWNABLPYHOT-XLWJZTARSA-N 449.932 -0.285 50 20 IBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)sc1C 1795740183 AXVSASNLGGBXCQ-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD O=C1C[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCN1 1815361546 JHFCMLBAZXTTNZ-TZMCWYRMSA-N 442.306 -0.425 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830543250 OAUAACUSBTUWDQ-FHIRATQRSA-N 434.331 -0.803 50 20 IBGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798875 GKBPQDOMOXQCRS-UHFFFAOYSA-N 444.341 -0.922 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249761 BNCZCDULABLEPW-IUODEOHRSA-N 441.344 -0.482 50 20 IBGD O=C(Cc1cscn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928614 SKYFPZQAMYVDJL-HXUWFJFHSA-N 445.306 -0.864 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1835935188 FTSATGZXWWINDO-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1839054042 CTZTYPMSNRBKSY-NRFANRHFSA-N 433.509 -0.191 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CCC1=O 1839199485 XPXVPNLISKCQJV-CJNGLKHVSA-N 449.277 -0.259 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)n1cnnn1 1840479231 QAOXXWSHJBWQOY-DAXOMENPSA-N 435.312 -0.073 50 20 IBGD C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1(F)F 1840825950 XIXXBXKZBRILHB-MOPGFXCFSA-N 438.236 -0.518 50 20 IBGD CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755064472 QYMIKHHXVXTTMS-MCIONIFRSA-N 446.570 -0.206 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 755143696 SUPSHNFPGQCJAS-RYUDHWBXSA-N 447.514 -0.980 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 764299766 MWVDLJPRKHHMGS-UHFFFAOYSA-N 428.467 -0.398 50 20 IBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNS(=O)(=O)N1CCOCC1 765118936 ITAMFVMVBHHXDA-UHFFFAOYSA-N 431.946 -0.345 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(N(C)C)CCC3)CC2)cc1 766637143 YLLLUYZYSVNYEC-UHFFFAOYSA-N 437.566 -0.067 50 20 IBGD COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1C 767848537 AYWZBIYYUDOROX-UHFFFAOYSA-N 444.329 -0.200 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 768635921 LCPKWZRGUGBSMH-UHFFFAOYSA-N 435.462 -0.255 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 779520756 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IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778473415 AJXQOBWYZWUXPQ-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CN1CCC(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779029721 XOPGHGWYOHRQMR-QFIPXVFZSA-N 444.536 -0.140 50 20 IBGD COC(=O)CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784046199 ZCFAMMOTKLMGNT-JOCHJYFZSA-N 446.309 -0.067 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21)[C@H](O)CCl 1784091560 XLAOPESHPJBIOR-VIRABCJISA-N 435.868 -0.718 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784545097 BFVKVPMUISXNRB-AOMKIAJQSA-N 439.277 -0.328 50 20 IBGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n[nH]1 1785841379 YLCPBGMYHMLYLU-ZQIUZPCESA-N 434.497 -0.421 50 20 IBGD CC(=O)O[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C(C)C 1788479428 JRAHAICJUVKATM-OGNFBWPZSA-N 440.541 -0.073 50 20 IBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1789858874 RXLAJGGESMVISU-JONQDZQNSA-N 435.974 -0.286 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1)C2)c1ccc(B(O)O)cc1 1795734288 BNCJTOJQGMHEFV-IZZQQSIFSA-N 434.261 -0.289 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1796441283 UIBHNELXBDQLGS-ZPLRYINRSA-N 441.448 -0.481 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802684105 WKDMIDZMQXBKDG-UZLBHIALSA-N 447.540 -0.268 50 20 IBGD O=C(CCn1ccnn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813430005 BMBTXNUZMTWXJC-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1819796058 YVFHSHGYMQATET-ZANVPECISA-N 443.489 -0.354 50 20 IBGD CS(=O)(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050995 JQPOOACJNDOBCC-SFHVURJKSA-N 436.339 -0.356 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1829744892 AUVSTWQKYHAAQL-JXFKEZNVSA-N 440.541 -0.633 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478508 NSRBRSMWZRQUKZ-ACJLOTCBSA-N 429.857 -0.591 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)on1 1835929645 ZYYZDYOVRWITFZ-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839144381 XBCRPFBXPFTHGC-IUODEOHRSA-N 427.822 -0.815 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839910167 YMWXTAMRIDJTKG-QFIPXVFZSA-N 448.520 -0.236 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808365 ULPYAHDQEXTTAR-LIRRHRJNSA-N 442.900 -0.269 50 20 IBGD O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 27376387 WBMSTMFDZCSSFN-UHFFFAOYSA-N 432.481 -0.014 50 20 IBGD CCOCCCn1c(NNC(=O)Cn2ccc(=O)n(C)c2=O)nc2ccccc2c1=O 733266919 PWFHGFMFABQIBW-UHFFFAOYSA-N 428.449 -0.173 50 20 IBGD O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1)N[C@H]1CCS(=O)(=O)C1 742366918 CRAONOXQQLPMAD-IRXDYDNUSA-N 445.501 -0.060 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 755861947 JTFVVDRDIXSNGF-LBPRGKRZSA-N 427.483 -0.822 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 760814213 YVPSFQZZXINQGC-OLZOCXBDSA-N 446.526 -0.526 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764397608 AOGXTZLSWIQBCP-JTQLQIEISA-N 446.457 -0.596 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@]23CCCc2ccccc23)n(C)c1=O 765732911 XXCJLSBLMQTVPN-QRQCRPRQSA-N 436.472 -0.125 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNc1nccc(N2CCOCC2)n1 768242735 IWHBWRIIJHQCMJ-CYBMUJFWSA-N 431.478 -0.005 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1OC 770097002 FTXGRZLSNQUREU-HNNXBMFYSA-N 445.494 -0.028 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 771892947 OPKABVIXXVCATI-LLVKDONJSA-N 428.467 -0.245 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 777777922 SSANAWSAZRNQQV-UHFFFAOYSA-N 432.362 -0.516 50 20 IBGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003569 IYBVFHMEUHMFGJ-UHFFFAOYSA-N 433.446 -0.103 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 787857095 CEUULAIBPOXQFE-CHWSQXEVSA-N 435.485 -0.520 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 792642147 OWZSNUQPUXAVPW-SSDOTTSWSA-N 446.429 -0.224 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n(C)c1=O 815826889 DUKQVKRTILTQLC-UHFFFAOYSA-N 443.420 -0.533 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210518 XRHZFBCAWHTQEU-CBGDNZLLSA-N 439.557 -0.212 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](N)c1ccccn1)C2 1782210876 VHUJOIDHAXMSPZ-NQSCKRDGSA-N 446.552 -0.032 50 20 IBGD Cc1noc(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983320 MDZPPNZBEHFLSN-VDGAXYAQSA-N 441.293 -0.193 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1788609959 GNFIHVNVVITFCE-KCTSRDHCSA-N 444.448 -0.928 50 20 IBGD COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CC1 1790886752 VQGJOCZPDBURKI-RCBQFDQVSA-N 445.476 -0.768 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791313017 HMQHZXRBRYWBTO-YFKTTZPYSA-N 429.823 -0.102 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc(Cl)n1 1798078954 PSOWIBJMQYLOFS-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)n1 1815560912 VBNLZUYAGNQPMH-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CCC1=O 1832380166 JQEVYNZPGBISBA-CZUORRHYSA-N 449.277 -0.259 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736543 TYVYRSQGXDOAGF-HZPDHXFCSA-N 431.965 -0.595 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1)c1ccc(B(O)O)cc1 1834797560 YRQTUIYGZWMFQD-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837711424 HNHBHTWBRGOCFE-LJQANCHMSA-N 429.590 -0.374 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033328 ANZJSZVEKKQFGZ-OGHNNQOOSA-N 449.346 -0.066 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840151975 SOHWPXDOAJXCCF-APWZRJJASA-N 433.933 -0.581 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840155826 JCDOTGFSVXQZDA-ABAIWWIYSA-N 445.822 -0.625 50 20 IBGD Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840183682 UAJSXTPZARCLFL-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD COCCOCCOCCC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1846249612 HQGDUIMMQAUYPA-UHFFFAOYSA-N 428.530 -0.368 50 20 IBGD Cn1cc(C(=O)NNS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)cn1 741656357 LCLCWEMHKHJKDM-UHFFFAOYSA-N 443.283 -0.004 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 763735990 VMETWCXLFBAJFE-UHFFFAOYSA-N 446.508 -0.052 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764428457 IEQNVNIDBNADDL-HNNXBMFYSA-N 440.478 -0.638 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)c3cnc[nH]3)CC2)cc1 765119183 SQBIHNQEKVHBKO-UHFFFAOYSA-N 442.523 -0.966 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)n(C)c1=O 765728949 UDZMYORWSZAFPN-UHFFFAOYSA-N 438.366 -0.157 50 20 IBGD CN1CC(=O)N(CCCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1=O 766642163 JXWOLSCKTLOFHF-UHFFFAOYSA-N 444.492 -0.734 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 767352223 CSMJNFGHDMKWKW-FHXYLJRPSA-N 443.456 -0.221 50 20 IBGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 768563001 VYQPHFLGAWFMIQ-DIFFPNOSSA-N 429.499 -0.605 50 20 IBGD C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 790679226 WZELBJLTCITWRD-MGPUTAFESA-N 431.401 -0.870 50 20 IBGD O=C(NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1ccc2c(c1)OCO2 802097030 LTUPKYFBVBDUGE-LLVKDONJSA-N 437.434 -0.267 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1783874627 GEJBRXDLPANTAH-YOEHRIQHSA-N 437.946 -0.504 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 1791289091 JKDJYUAZEWLXBC-BZSNNMDCSA-N 434.541 -0.295 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)CC1 1791293949 QTXBKZPWJVMNRN-JYJNAYRXSA-N 438.525 -0.318 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1C 1796638613 FJFDZDYMZIJDIP-JLVBRIDZSA-N 426.477 -0.151 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnn1 1807372175 BKTFQAPZVOEHNX-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD Cc1nnc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)o1 1815339421 FHSHHWXPKFUTGA-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825995166 UFYWXOIXWCOXRW-IUCAKERBSA-N 429.886 -0.139 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196955 NPGBHDCVSQPGLP-KRWDZBQOSA-N 441.496 -0.395 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921333 AINZRAXOGPWGIA-OAHLLOKOSA-N 431.298 -0.887 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839146259 WYEHRUMZIMEBMV-XLIONFOSSA-N 444.960 -0.376 50 20 IBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202944 USRRIZZGXZUFMZ-FZMZJTMJSA-N 426.239 -0.511 50 20 IBGD O=C(c1ccccc1-n1nccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839379261 WNBNKVSVLUXSFZ-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 16161636 ATQNDOJHVFJTGY-UHFFFAOYSA-N 442.432 -0.863 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 729276150 XTUQBHYQJUWGGY-SNVBAGLBSA-N 441.535 -0.188 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2COCCO2)o1 744642233 ITJUNFQHOHSCGW-AAEUAGOBSA-N 445.450 -0.828 50 20 IBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)C2=O)n1 745882230 GIWCQDKTWWDQGS-AWEZNQCLSA-N 434.478 -0.037 50 20 IBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 747907715 SCMGKOOGVPUSSH-UHFFFAOYSA-N 428.515 -0.815 50 20 IBGD Cc1oc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1S(N)(=O)=O 755627071 RTQWCOJXFXEILR-UHFFFAOYSA-N 430.464 -0.439 50 20 IBGD CO[C@@H](C)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756317708 ZYRMVFQZWHAUND-NSHDSACASA-N 429.437 -0.006 50 20 IBGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)Cc3cccnc3)cn2)CC1 756547250 AMCBWBUSOXGHOP-UHFFFAOYSA-N 433.494 -0.046 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 758660444 VOOGUPWYVVFPQR-ZDUSSCGKSA-N 432.524 -0.477 50 20 IBGD COC(=O)c1cnc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 779675146 TVFBYXOMRBARPQ-UHFFFAOYSA-N 434.478 -0.044 50 20 IBGD C[C@H](Oc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1)C(=O)O 794919902 AAJFFXJMNVMXQS-NSHDSACASA-N 428.405 -0.564 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 798316857 MFFZHYXVHWOMBM-UHFFFAOYSA-N 445.461 -0.650 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCc3cnn(C)c3C2)CC1 799100429 RSXWANCKGGXAKD-AWEZNQCLSA-N 433.538 -0.001 50 20 IBGD O=C(CCCNC(=O)C1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915062970 MGEBWMGZEPIULH-UHFFFAOYSA-N 438.506 -0.225 50 20 IBGD Cc1nc(N)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786916312 KZBUYMFLGYKZJL-BPUTZDHNSA-N 444.322 -0.379 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cscn3)[C@H]2C1 1787039318 GDAPCSZUWXTDSC-ZLIFDBKOSA-N 444.517 -0.022 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287889 AXIRYLHUXGBYDC-UGUYLWEFSA-N 425.530 -0.746 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791530168 OPZFFGJBDYVLQA-DRMAHVMPSA-N 446.552 -0.133 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc(B(O)O)cc1 1795734126 DGGOTTPVENTKOI-YAHCNQDQSA-N 428.298 -0.959 50 20 IBGD Cc1noc(N)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750502 ILYRLFVEHOTHEN-QHBPRCKVSA-N 429.437 -0.919 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1800977733 WOYWBNPNGRVCAC-WPLOAARJSA-N 435.905 -0.327 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337475 SNRRSEXYRYZKOD-GXFFZTMASA-N 430.295 -0.440 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831433316 HNHPMEPFAJVGLH-JXFKEZNVSA-N 426.514 -0.593 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1831870941 IZKUTDQBRYVGCN-DLBZAZTESA-N 438.573 -0.428 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875702 BRCQUYZLFJEWCU-IFXJQAMLSA-N 427.885 -0.291 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837608122 WPSCVWLBXMMINC-XAYKYTGQSA-N 443.863 -0.414 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839961812 JQWQVXVHJRGLPD-DYVFJYSZSA-N 449.346 -0.113 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840154668 CFOYIXJDOLVXIA-DNVCBOLYSA-N 442.900 -0.175 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCOC)c(=O)n2Cc1ccccc1 727100036 JGKSMZGHFZIYHH-UHFFFAOYSA-N 428.449 -0.388 50 20 IBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819365 IKMUBVIQCBLUQO-UHFFFAOYSA-N 430.508 -0.125 50 20 IBGD CCN1CCN(C(=O)c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 756252266 CENTZDNETYAFFY-CYBMUJFWSA-N 440.526 -0.445 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 760441623 AVMSZIBXYBXRLK-UHFFFAOYSA-N 446.482 -0.024 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1 805833757 DLHALCBKWOALKE-ZDUSSCGKSA-N 432.524 -0.152 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 807371192 FZIKIRVHJHIGEY-UHFFFAOYSA-N 445.274 -0.171 50 20 IBGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779198 VQHGWVHCZIBXQN-CQSZACIVSA-N 426.451 -0.599 50 20 IBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2C1=O 861649112 BYSIAPMUNYVZRD-UHFFFAOYSA-N 427.402 -0.489 50 20 IBGD O=C(COc1ccccc1F)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 864019434 BFOSTPJLNZOFHZ-LLVKDONJSA-N 426.426 -0.483 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1OC 912947193 ZTNMYYSSZIOVQG-ZIAGYGMSSA-N 439.490 -0.110 50 20 IBGD Cn1c(=O)n(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c2ccccc21 1778162798 XNYHWMDREWGTBW-OXQOHEQNSA-N 436.896 -0.230 50 20 IBGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)nn1 1779032787 VLEXLXVABPXMNH-HXUWFJFHSA-N 441.448 -0.759 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033665 BGSUWHHHEQZOBC-BTYIYWSLSA-N 441.492 -0.339 50 20 IBGD Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)n[nH]1 1779458907 KUDBYSURFKDDBA-DENIHFKCSA-N 440.309 -0.232 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1783937636 WPUAOLAHONIQQQ-HXUWFJFHSA-N 434.497 -0.682 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783991107 VOXSZCUSWDQOHD-RMEBNNNOSA-N 449.932 -0.549 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2 1796441248 OHNIEIFBGBPCDW-QRUVTEGNSA-N 441.444 -0.023 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807604845 XHIPGLYIZCRKJQ-JXFKEZNVSA-N 428.497 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1813030453 HHCYHPPYLNTIIO-LJIGWXMPSA-N 425.917 -0.066 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cn2ccnn2)CC1 1827235289 CQXOHXISSRQRAB-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724938 KEWUIGOMNGSKAA-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840155708 GWDKDYDXFOVXTO-ZQIUZPCESA-N 438.930 -0.726 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C1(O)CCC1 1840182695 IOXILMNDPXPTII-OXQOHEQNSA-N 440.541 -0.633 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321925 RUPHQVMUNNMDSA-LRDDRELGSA-N 436.303 -0.028 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 729275032 JSWNQYQBSRFWDB-CHWSQXEVSA-N 432.524 -0.828 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C 736311197 DWSHESVHXCTKCC-KBPBESRZSA-N 444.579 -0.533 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1nn(-c2ccccc2)cc1O 743292238 CPSBPLNDFCAHKS-RRCSTGOVSA-N 425.401 -0.499 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748111057 GZPRXUOVAOFHSL-AWEZNQCLSA-N 444.510 -0.155 50 20 IBGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1=O 757779986 DAZZWLCMHMJOCN-UHFFFAOYSA-N 446.449 -0.665 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 764404302 HREFXYRDOGNMID-UHFFFAOYSA-N 448.505 -0.201 50 20 IBGD Cc1onc(-c2ccncc2)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766645401 UCUCDSHVXVRREN-UHFFFAOYSA-N 438.404 -0.747 50 20 IBGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919884400 FNBNXLXPCHMROO-KGLIPLIRSA-N 425.446 -0.578 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)c1cc(=O)n2[nH]nnc2n1 1777823196 MHQNBVZXJZHIRT-RSAASHCRSA-N 427.824 -0.526 50 20 IBGD Cc1nnsc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1778238862 OKGFDBRJUNBHSA-OXQOHEQNSA-N 444.322 -0.032 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1779034653 RKSJKGAPRXLTPM-IUINOXSKSA-N 425.449 -0.435 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744932 IMELOZWJOGBPFV-BDJLRTHQSA-N 434.287 -0.610 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783260633 TXEJDHSVHYDBPX-IAGOWNOFSA-N 426.341 -0.661 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1ccnc1 1786978778 TUSQEZJINCUWRQ-CBVHJVASSA-N 426.282 -0.583 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21 1788611092 MAJHOQMSTMZQJZ-JQFCIGGWSA-N 441.492 -0.366 50 20 IBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295752 XDVMRVSLGHMHKG-KUHUBIRLSA-N 439.476 -0.464 50 20 IBGD O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1812640363 BTJMWGVVSMABDE-FUHIMQAGSA-N 436.277 -0.783 50 20 IBGD COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813267981 DZWHNNKYIKZTLP-HNAYVOBHSA-N 434.497 -0.184 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354916 XFPKXINHVZOSLX-NHYWBVRUSA-N 444.322 -0.085 50 20 IBGD C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831413722 GBCGKWFJIFTUCS-NRFANRHFSA-N 440.541 -0.201 50 20 IBGD O=C1CCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835408018 SIWRGDXJSCSRKD-KRWDZBQOSA-N 432.315 -0.150 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927522 RHQFPZLHPBFXRW-YLJYHZDGSA-N 436.339 -0.609 50 20 IBGD CC1(C)CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939595 BMJWUWZIICIZJM-JOCHJYFZSA-N 430.310 -0.127 50 20 IBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)[C@H]1SC(=N)NC1=O 1843406605 JSLQSLGTBOTLHC-ZWNOBZJWSA-N 445.505 -0.695 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1844692376 QCQBDVZPHHHNKY-OAHLLOKOSA-N 447.448 -0.070 50 20 IBGD COc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1OCC(N)=O 727999604 GGIITKREOQKIDZ-UHFFFAOYSA-N 425.401 -0.119 50 20 IBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cc3cccnc3)n[nH]c2n1 728893220 LXKWESHPAZCEEY-UHFFFAOYSA-N 430.498 -0.318 50 20 IBGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1 753784074 DFLQYTZUMCARLY-KRWDZBQOSA-N 437.522 -0.308 50 20 IBGD CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764202932 DANPTOWQTIYLMR-UHFFFAOYSA-N 429.499 -0.628 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 764230694 JMUYFDIZIAPXTF-SNVBAGLBSA-N 438.491 -0.349 50 20 IBGD CCOCCNC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764516771 UNKPLWPWIVIRGF-UHFFFAOYSA-N 443.595 -0.167 50 20 IBGD O=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 915832320 RTRWZNKEDFIGNY-VIFPVBQESA-N 443.279 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778479704 AEIOSNBCTGOBKX-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979472 MCYRKDSCDBKZER-VMXMFDLUSA-N 438.289 -0.307 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cn[nH]c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984386 BTRQRJCAOQGKOM-WDSOQIARSA-N 426.282 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnn2ccccc12 1787852313 ASTUNOOCYWYPHK-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc[nH]n3)[C@H]2C1 1790657319 CDIIGYXAVWFQNX-ZLIFDBKOSA-N 427.465 -0.756 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793805765 YCBSHTYSEFCRMV-VPTLXERWSA-N 437.541 -0.648 50 20 IBGD COC(=O)CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736912 QEIQCPMHEJRDEM-UPHUGPLXSA-N 446.309 -0.307 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1797586692 FAJIERYNQRYZNT-NWPKGIRNSA-N 426.297 -0.123 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1)C2 1797750879 WGEIIJQYBPVBNE-CWPLJXCYSA-N 438.488 -0.084 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2ncsc2[nH]1 1797979470 KSTLFIDKTGSQFQ-FVCICTRLSA-N 440.290 -0.179 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(F)cc1F)C2 1801010669 POPMHWZKECGDQV-DPIQGUFMSA-N 425.436 -0.064 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(CO)c(F)c1 1801899636 XFMUFDKSMNQILP-XEMDLRDOSA-N 442.252 -0.485 50 20 IBGD O=C1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)N1 1807371055 OYUCZQRKGQHQDI-HQRMLTQVSA-N 436.277 -0.640 50 20 IBGD O=C(Cn1ccnc1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354809 GIJBWWYPNYCUHU-AWEZNQCLSA-N 425.279 -0.055 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731799 PTNXWOFEQJFVBC-OXQOHEQNSA-N 428.913 -0.259 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cscn3)CCO2)C1 1834256952 YUMUWLCOQPPCMM-LJQANCHMSA-N 446.489 -0.475 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1837920338 MZOUFCVLDDFQDK-MAEOIBBWSA-N 430.310 -0.251 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840480060 MMXZTVNKHZIPTO-SLEUVZQESA-N 431.291 -0.526 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840485042 XVXMXBBFMBJYCB-LIRRHRJNSA-N 427.885 -0.082 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843013655 UVNSYQVNBPNCNA-UHFFFAOYSA-N 443.290 -0.704 50 20 IBGD CC(=O)NCC(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039450 PTTJRWQBCFUPNH-UHFFFAOYSA-N 430.509 -0.328 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 729512258 GXDVNOSONZRDIJ-ZNMIVQPWSA-N 425.463 -0.660 50 20 IBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 730517394 WCXPFGBARVVOOW-UHFFFAOYSA-N 445.461 -0.683 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCN(CC(=O)NCCOC)CC2)cc1C 736309115 ZQHWCOVBMWBBEC-UHFFFAOYSA-N 425.555 -0.240 50 20 IBGD CN(CC1CC1)S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 737750621 GCRYONFHSXPFOC-UHFFFAOYSA-N 432.524 -0.472 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738506901 CDJILWTZUORXGS-UHFFFAOYSA-N 426.433 -0.178 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)c2ccccc2c1=O 749389395 XYGUAZDRDYTWHS-UHFFFAOYSA-N 447.477 -0.498 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)OCCCO3)n(C)c1=O 755452615 LDEYWYVRLAXBDC-UHFFFAOYSA-N 443.420 -0.552 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccn(-c3ccccc3)n2)n(C)c1=O 755480350 DBIDZHAYGWEUJF-UHFFFAOYSA-N 437.420 -0.528 50 20 IBGD CCNC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755941172 LBHOMXZXYBXJNB-UHFFFAOYSA-N 442.436 -0.964 50 20 IBGD O=C(CN1CCN(C(=O)c2ccc(O)nc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 766252256 ZKAJUOMJQFQDNR-UHFFFAOYSA-N 428.405 -0.086 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cscc2Br)n(C)c1=O 802763696 ZTUGCRGRKKLLKD-UHFFFAOYSA-N 441.267 -0.281 50 20 IBGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2=O)n(C)n1 1318828935 NEPBEUJUJDAZNC-OAHLLOKOSA-N 441.496 -0.129 50 20 IBGD CCOC(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)OCC 1784164659 IOMONZUSKGFMHR-OAQYLSRUSA-N 434.298 -0.401 50 20 IBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(O)n1 1795734967 CARMBADJJCCGDP-JLVBRIDZSA-N 425.250 -0.708 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2)c1cccc(B(O)O)c1 1795739290 ZSGZSQSYGVLCPV-CCWDJLKJSA-N 435.249 -0.845 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2)c1cccc(B(O)O)c1 1795740957 SJPLZSSYOKICSW-XEMDLRDOSA-N 426.282 -0.754 50 20 IBGD CCN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1802172804 OSTAESAUUJREIM-HGKCTWBKSA-N 444.536 -0.380 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cnc(O)nc3O)C2)CC1 1810867655 QNMSBJQHFSVYBE-UHFFFAOYSA-N 440.265 -0.274 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1cnc(O)[nH]1 1810949269 WGYOCLVRNXLUBK-YJBOKZPZSA-N 435.249 -0.177 50 20 IBGD O=C1C[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCN1 1815348167 GWFBIZGGKSCWLS-JSGCOSHPSA-N 442.306 -0.425 50 20 IBGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826800485 CRSDLHCCMUKQGG-KGLIPLIRSA-N 425.850 -0.069 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306145 KOZCIHLLSOLBNF-BBRMVZONSA-N 437.990 -0.162 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312303 KULJVRHYGGNINT-IRXDYDNUSA-N 432.949 -0.691 50 20 IBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1833481425 ZBEFSHPEWHQPQO-KSSFIOAISA-N 431.848 -0.101 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834820363 ZWUSOQUPMCWMSD-DYVFJYSZSA-N 432.315 -0.246 50 20 IBGD CCC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738114 FDSHZWFADXVVBK-UHFFFAOYSA-N 430.509 -0.151 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)N1CCOCC1 745995978 GJPOXRGBQQZQKZ-UHFFFAOYSA-N 428.467 -0.411 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)nc1 753668940 ILZRLKQOXWIIBJ-GFCCVEGCSA-N 434.544 -0.324 50 20 IBGD Cn1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(-c2cccs2)n1 768461508 WCZBUFCXFROCQI-UHFFFAOYSA-N 442.461 -0.643 50 20 IBGD COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 778645032 GOGXGKCYHLQNBX-CABCVRRESA-N 442.494 -0.165 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NN=c3sc4ccccc4n3C)cnc2n(C)c1=O 783352166 ZSGYBNCWBCACLE-UHFFFAOYSA-N 439.457 -0.244 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 787886417 OBGJQVJHRKNNFG-MNOVXSKESA-N 444.514 -0.167 50 20 IBGD CN1CCN(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 811422352 OOQCXJMFQHMQQM-UHFFFAOYSA-N 434.316 -0.284 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H](O)c1ccccc1 1786667856 NKHWLWJZWYWNTK-VMXMFDLUSA-N 438.289 -0.307 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1792868999 XXRJRKPQQUYFAI-JPYZYGQNSA-N 431.287 -0.795 50 20 IBGD CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792979210 ZUEXXXYJMARXPL-HLPPOEQASA-N 449.932 -0.283 50 20 IBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835719 WOCQWGBJSMNLSW-MIFYACCESA-N 435.974 -0.429 50 20 IBGD CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1C(=O)O 1794432142 PHIZIWICKKGAJX-JLUCKKNBSA-N 428.873 -0.035 50 20 IBGD COc1nn(C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1794925072 LSHXNZXPBWNXIO-CLLJXQQHSA-N 427.465 -0.007 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]c3nccc1-3)C2)c1cccc(B(O)O)c1 1795738775 FADBEIPVOCLKKC-CCWDJLKJSA-N 434.261 -0.289 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800229273 ASSCMVPSNGXIHN-FAYQHZLMSA-N 434.254 -0.869 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1F)C2 1801008871 FSBFCDCIBRGLTN-DPIQGUFMSA-N 425.436 -0.064 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1813031016 IYAAMTJPXRRDGL-BMFAXAFESA-N 440.928 -0.008 50 20 IBGD O=C(CCn1ccnn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813430009 BMBTXNUZMTWXJC-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD NC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccc1 1830722897 IRIANUHVSOKIPP-QKLQHJQFSA-N 425.913 -0.215 50 20 IBGD COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1831380514 FSLQWKMICULCGQ-NRFANRHFSA-N 447.492 -0.818 50 20 IBGD O=C(/C=C/c1ccoc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832645590 OHNDURJNPYHPQM-TWKPZUECSA-N 440.261 -0.257 50 20 IBGD COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1F 1833481420 ZBEFSHPEWHQPQO-KBXCAEBGSA-N 431.848 -0.101 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833947223 LOTDYQZQADAQBE-UHFFFAOYSA-N 449.556 -0.316 50 20 IBGD CC(C)(C)NCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798085 YWLBEZBKYRYOPW-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1)c1cccc(B(O)O)c1 1834801513 RGWRNQIALWGHRI-AERCQKQUSA-N 441.337 -0.556 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1835935294 NDAQYZVRDHHXTP-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1840185474 QNQZUIBDTHMYPI-UWJYYQICSA-N 440.541 -0.368 50 20 IBGD O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840193553 LBHANSSZVHABFC-TZMCWYRMSA-N 443.291 -0.049 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)[C@@H](C)O)cc1 728178668 BHWZCHQHAAKSMW-FMKPAKJESA-N 433.552 -0.485 50 20 IBGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N1CCOCC1 745991730 GDICBMPZECJGKR-AWEZNQCLSA-N 446.913 -0.054 50 20 IBGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)N1CCCC1 748247665 UJLWQIFJRRVHKJ-AWEZNQCLSA-N 435.506 -0.090 50 20 IBGD COc1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1S(=O)(=O)N1CCOCC1 755414545 YFZQRCOBGOHQAY-CQSZACIVSA-N 444.466 -0.716 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 764045964 VVILKZVQLWKYIH-VXGBXAGGSA-N 427.504 -0.333 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCN(C(=O)CC(C)(C)C)CC2)n(C)c1=O 764817442 POVQZIPANRHJHR-UHFFFAOYSA-N 431.497 -0.036 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3c(nc2O)CCCCC3)n(C)c1=O 766642973 IINKKOKXNCDPBA-UHFFFAOYSA-N 441.448 -0.736 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)CCCOC)c2ccccc2c1=O 770256534 VCIKFOSJWDYOMB-UHFFFAOYSA-N 439.494 -0.477 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(O[C@@H](C)C(=O)O)c1 814877167 JXRLXUPIQSZRID-LBPRGKRZSA-N 442.432 -0.174 50 20 IBGD Cn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1=O 918544593 YMXDFJZPQDIEHH-UHFFFAOYSA-N 448.501 -0.200 50 20 IBGD CCn1nc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1C 1779717077 PZRHCVKJBANPHX-OAQYLSRUSA-N 426.282 -0.351 50 20 IBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C 1779833548 WZPZJKPYAQWCNE-NRFANRHFSA-N 426.282 -0.580 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783932914 KGSKZECWAAAEKX-MRUHUIDDSA-N 438.525 -0.221 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCc2ccoc2C1 1793122686 KBACZRXSLRELOF-LAVAIGHBSA-N 438.289 -0.032 50 20 IBGD Cc1nn[nH]c1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341357 XLHQYWXTFLKVDH-LBPRGKRZSA-N 426.267 -0.211 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cnnn1 1826972988 RLZKRKLDYIFUAZ-MFKMUULPSA-N 441.282 -0.704 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738071 LRXQTTIONIGIHQ-AUUYWEPGSA-N 449.932 -0.043 50 20 IBGD COC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1832064469 UYMHSPFRSBPKCV-GOSISDBHSA-N 431.298 -0.044 50 20 IBGD O=C(CCc1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833048897 UJTQTLUJTLUTFK-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD Cc1n[nH]cc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801092 KVXABPMGOVGGLR-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)NC1CC1 1837254443 BWQYBINQYHSKGO-NSWPXQNRSA-N 448.289 -0.032 50 20 IBGD O=C(CN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199894 YYXDNDJTZZACJV-GDBMZVCRSA-N 438.294 -0.535 50 20 IBGD COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)(C1)C2 1840004608 HMXDNVIGRHEMSH-KSBHDHOUSA-N 430.885 -0.614 50 20 IBGD COCCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](Cl)COC)CCO3)n1 1840152193 AOXXFRGDBSSUQG-HNAYVOBHSA-N 444.916 -0.147 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185072 HLQNRWPRJZGSKY-OXJNMPFZSA-N 441.529 -0.383 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321927 RUPHQVMUNNMDSA-WBMJQRKESA-N 436.303 -0.028 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1845073027 ZZEUWTAGEQJSQR-GJZGRUSLSA-N 440.504 -0.097 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(I)cc1 728509583 IMIOVHIGRDWYST-ZETCQYMHSA-N 447.276 -0.462 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 729276795 MFOAZFQKWGRBMD-JQWIXIFHSA-N 426.451 -0.895 50 20 IBGD O=C(NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)N1CCCC1 746185141 HSVPOKRZSXXDHS-HNNXBMFYSA-N 428.449 -0.694 50 20 IBGD COc1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)cc1C(=O)O 749144758 XNGGAZBZVNPQBM-ZETCQYMHSA-N 426.856 -0.209 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)Nc1cnn(CC(=O)N2CCOCC2)c1 756835006 KDUDFEQLOVSDNJ-MRXNPFEDSA-N 430.421 -0.265 50 20 IBGD CN(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758786421 MQVWGZXDPSFFPA-UHFFFAOYSA-N 448.546 -0.462 50 20 IBGD CCO[C@@H]1COCC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760133197 URWHQAIRUBPRMI-HZPDHXFCSA-N 442.542 -0.162 50 20 IBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)sc2c1CCCC2 764002480 MVWJMLRGJGUEPO-VIFPVBQESA-N 443.503 -0.066 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CCN2CCCC2)cc1 764227657 PMAJQRFOYRWQNA-ZDUSSCGKSA-N 425.511 -0.652 50 20 IBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@H]1CN2CCCN1CC2 764753104 RMUGEMZRWUPLTE-LJQANCHMSA-N 434.972 -0.005 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1F 806974424 AGSFXIPXDNWWKD-UHFFFAOYSA-N 426.430 -0.667 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778011220 JEUYDMQIBYFPSS-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782519225 DPRKPRBVRXDXHG-IIBYNOLFSA-N 448.524 -0.258 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1785076493 MCGHLEUDWZBGFM-YTFOTSKYSA-N 447.964 -0.616 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(=O)cco1 1786284948 ZNSGSHOYQXDILY-FNHZYXHNSA-N 426.234 -0.773 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cn[nH]c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980085 HGZFHTHPIOBPMW-WDSOQIARSA-N 426.282 -0.684 50 20 IBGD COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737559 VMJIUUZSXSNECR-JLVBRIDZSA-N 425.250 -0.713 50 20 IBGD CCn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1C 1795740196 CZEWPUAGEREPQV-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C1(O)CCC1 1797748033 DHCLALUKDGWIAP-VWPFQQQWSA-N 431.493 -0.561 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833875704 BRCQUYZLFJEWCU-LIRRHRJNSA-N 427.885 -0.291 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1834485871 DHCQVGRUPXQYLK-ISXGRJCASA-N 444.448 -0.121 50 20 IBGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834522377 JHIIZZSDYOBYSJ-FQEVSTJZSA-N 437.497 -0.320 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840032297 URELOYAUNGPMLY-PBHICJAKSA-N 434.331 -0.442 50 20 IBGD COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CCC1 1840186058 XXGRUOICPKHCRE-OAQYLSRUSA-N 440.541 -0.225 50 20 IBGD Cc1nn2cc(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)c3cccc(B(O)O)c3)nc2s1 1847975554 OLFOPDVAEJSRIB-IRXDYDNUSA-N 439.306 -0.163 50 20 IBGD Cn1c(CC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)nc2ccccc21 749352173 HEJKYOLVZKGJOW-UHFFFAOYSA-N 437.526 -0.977 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)C(=O)Nc1ccccn1 755495537 ZUGYODWJJUCIMC-GFCCVEGCSA-N 434.453 -0.317 50 20 IBGD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1ccccn1 758739285 TXOKKAWGXNTBFJ-UHFFFAOYSA-N 425.449 -0.301 50 20 IBGD COc1ccc(-c2cc(C(=O)NNC(=O)c3cn(C)c(=O)n(C)c3=O)n[nH]2)cc1OC 765596146 GIOOGOCCFIFMCX-UHFFFAOYSA-N 428.405 -0.434 50 20 IBGD CCOc1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 765732013 UBDNWJBLEUTXAO-UHFFFAOYSA-N 435.828 -0.658 50 20 IBGD CCN1CCN(CC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C(=O)C1=O 776205764 OGKKLLXMHDVYLC-UHFFFAOYSA-N 440.501 -0.687 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 778441041 HXZJAXOHUYXLFN-UHFFFAOYSA-N 432.455 -0.414 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(C(=O)OC)s1 793451901 UZGRSHPQEDGVRS-QMMMGPOBSA-N 443.463 -0.515 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)c1cnn[nH]1 809667433 XROHJOQJAXGARB-UHFFFAOYSA-N 437.482 -0.786 50 20 IBGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885398 LFZRALQPWLUGED-ZIAGYGMSSA-N 425.446 -0.578 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783932915 KGSKZECWAAAEKX-WHSLLNHNSA-N 438.525 -0.221 50 20 IBGD CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1783933376 IXLUZLHVHXHXFB-GHTZIAJQSA-N 439.557 -0.260 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986857 NAEVCVNYKZEHHW-LEAZDLGRSA-N 445.325 -0.736 50 20 IBGD COC(OC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506591 JCMLZACHPRBTDS-DVBSWERSSA-N 435.481 -0.281 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1791058164 SASKMAUPVOSDOE-BJDJZHNGSA-N 442.247 -0.526 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800226527 STYSMWGIIVINSG-LJCCNALRSA-N 425.574 -0.073 50 20 IBGD CN1N=C(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)CCC1=O 1806619069 ABRUXEMJKZLSFF-UHFFFAOYSA-N 440.309 -0.181 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cnnn1 1807367290 KBXJELSEJJJBSP-BJZITVGISA-N 449.280 -0.671 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)N1 1814046590 FXAJZJDGCYAAKW-OCCSQVGLSA-N 428.279 -0.673 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825994922 QSWKRJIICSTMKI-IUCAKERBSA-N 429.886 -0.139 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1826090184 YTEZNHKABWPQGB-LLVKDONJSA-N 448.505 -0.647 50 20 IBGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834132274 HVHUVIVXHJBQRQ-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD CC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457618 LEGYXYWKFPHEGK-SFHVURJKSA-N 427.408 -0.590 50 20 IBGD CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457750 PLNCCFRULFJJMY-NRFANRHFSA-N 448.524 -0.857 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324628 XJUMGVMXHLXVTG-LJQANCHMSA-N 439.900 -0.090 50 20 IBGD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1=O 104519530 FZAMNZHUHYHNEM-LJQANCHMSA-N 436.421 -0.272 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 728384863 QMXYOLKZVHGBSR-VOJFVSQTSA-N 438.462 -0.956 50 20 IBGD CS(=O)(=O)N1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 728944516 FBBIHYUJHUESPN-UHFFFAOYSA-N 432.528 -0.699 50 20 IBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)c1cnn[nH]1 729456545 ROFYUUYMVWKNFR-HNNXBMFYSA-N 438.466 -0.270 50 20 IBGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 746003395 KSQBWMFGQQSIQE-UHFFFAOYSA-N 441.510 -0.540 50 20 IBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCCc3ccccc32)o1 746094219 SMXSRWOAYAKNPZ-UHFFFAOYSA-N 435.462 -0.743 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CCCC3)c2)CCN1 764067134 YZXLIZOSADTUJR-UHFFFAOYSA-N 437.478 -0.917 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Br)c1 764232723 TWVDVVSJSYNHRO-ZETCQYMHSA-N 437.272 -0.519 50 20 IBGD Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764378583 KBMZIAHPBYWXNH-UHFFFAOYSA-N 447.839 -0.818 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCN(C3CCCCC3)C2)n(C)c1=O 766636808 PDEWEJGUQMQAEP-ZDUSSCGKSA-N 431.497 -0.764 50 20 IBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766648535 HORIWUXHZSWGDS-MRXNPFEDSA-N 437.522 -0.984 50 20 IBGD CCn1nc(C)c(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 815827123 NADDMQYHSUIGCW-UHFFFAOYSA-N 449.537 -0.318 50 20 IBGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116176940 NQCHXSCLANVSOH-BTAUDXDXSA-N 442.476 -0.609 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1778970876 GMMVAGQZQBYCBF-IERDGZPVSA-N 431.493 -0.298 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780078372 JUHOYJOUWWFCGN-OAQYLSRUSA-N 442.476 -0.083 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccnn1 1781544785 FHCHTEAEBIGUPG-FQELHTAISA-N 441.297 -0.653 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H](O)c1ccco1 1783560757 BNRPCWRZAKREIF-CBVHJVASSA-N 428.250 -0.714 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1786979744 OHLIPCTZYNZFDM-RXWYWUIXSA-N 441.337 -0.700 50 20 IBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)no1 1786984269 XFQNRMSIFADLON-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD O=C(Cc1cscn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787038486 ISERJWLBCCWQGY-WBAXXEDZSA-N 429.307 -0.341 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790609625 CRTUMKMSBGGTSU-UGUYLWEFSA-N 442.513 -0.099 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1F)C2)c1cccc(B(O)O)c1 1795737578 XQFYTAJTWGDIBJ-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741424 WQTVWDZXRPKHOS-BOLBYERCSA-N 431.342 -0.453 50 20 IBGD O=C1NC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1807361768 XROBGEDLQZTFMC-BPQIPLTHSA-N 438.249 -0.811 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CN1 1814523986 XBMCBKWNJZXYKZ-PBHICJAKSA-N 439.281 -0.078 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1 1826532597 DJRSERWHXHZNAM-OALUTQOASA-N 427.310 -0.122 50 20 IBGD CN[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1826940855 LICJWBWFBNNGPI-OALUTQOASA-N 445.325 -0.338 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056265 CMCQUUUYARGKOX-LJQANCHMSA-N 438.293 -0.003 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397324 FWJLPKVHLUHQSO-CRAIPNDOSA-N 448.358 -0.052 50 20 IBGD COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 730767284 LOYTZRRKHHEGLI-LURJTMIESA-N 448.292 -0.156 50 20 IBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C 738505475 KWDXIJZJYZLDIV-STQMWFEESA-N 432.481 -0.799 50 20 IBGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 754175893 GCDBWQSYFUPALM-UHFFFAOYSA-N 431.540 -0.130 50 20 IBGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 756948928 BJVMOJLIFYKDIY-UZTWBRENSA-N 429.499 -0.749 50 20 IBGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 760149995 SWUHBAAHBPXXAZ-BUXKBTBVSA-N 438.506 -0.421 50 20 IBGD CN(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=O 760484156 JJBMFVVJNJQOGD-VIFPVBQESA-N 425.389 -0.341 50 20 IBGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764226056 DXSYDKFBORQVMI-SSDOTTSWSA-N 437.272 -0.519 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1S(=O)(=O)N1CCCCC1 764421054 JKZGBMHNXRJQBM-UHFFFAOYSA-N 428.467 -0.662 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 765310207 CUUQNKKXMLCFIV-CZPYZCIJSA-N 438.481 -0.009 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778243943 SLYCKENIBPOXKI-REWPJTCUSA-N 436.273 -0.186 50 20 IBGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779032562 MJLAJWZKYAYXOP-YCRPNKLZSA-N 430.509 -0.530 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781839118 QGRYVYFXUXILPP-YLJYHZDGSA-N 445.633 -0.362 50 20 IBGD CN1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cnccc2C(=O)NN)C3)C1 1782748937 IXTCLJZENFLDKZ-DYESRHJHSA-N 430.509 -0.626 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)CCO2 1783874876 HTOGPSSMHCKNSN-PXDYOCJYSA-N 432.930 -0.127 50 20 IBGD CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)CC2)CC1 1784092056 FAULVYGGQPNXES-NXOAAHMSSA-N 428.961 -0.654 50 20 IBGD CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984163 NUPDPQKTKPHHIP-NGODJESCSA-N 436.339 -0.882 50 20 IBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1 1794460123 BPGPTHSGYVDZBM-CWPLJXCYSA-N 438.293 -0.656 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H](F)Br 1799346098 BOHOVFXFGNBROO-XCCSTKFXSA-N 429.051 -0.740 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1819797722 YTIGJUHIJSFVMS-SECBINFHSA-N 442.465 -0.946 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834360929 LCKVLKDOSMVTDB-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839829527 JEXOPVXOMCKTLC-YRXLECQKSA-N 433.465 -0.444 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cc(O)n1 1840184043 OUDGMEMNNWRAFW-OAQYLSRUSA-N 449.508 -0.461 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185239 HNBWYTXTFCQVLT-OXJNMPFZSA-N 428.530 -0.371 50 20 IBGD COCCCNC(=S)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 726076854 HFVYCUWPRIRHLO-UHFFFAOYSA-N 445.567 -0.342 50 20 IBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)o1 728957029 HABUXVQVIVMGNR-UHFFFAOYSA-N 436.450 -0.937 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 729276058 WIPBONDGWWXBQA-LBPRGKRZSA-N 434.540 -0.276 50 20 IBGD CC(C)(NC(=O)C(F)(F)F)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 759128408 FZKLMRFUWYEJKY-NSHDSACASA-N 433.339 -0.026 50 20 IBGD Cn1cnc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1Cl 765118632 OLECELFOZYQWFT-UHFFFAOYSA-N 440.913 -0.159 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771848100 XREYAVIITHFHHP-JKOKRWQUSA-N 447.897 -0.047 50 20 IBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 777779574 PGPDWILBZYIJSK-UHFFFAOYSA-N 432.300 -0.300 50 20 IBGD O=C(COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cccs1 786992890 JIAIRJUPFDDNAU-CQSZACIVSA-N 438.506 -0.234 50 20 IBGD CC(C)Cc1ncc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 791956656 TZPQTOZWOACYNV-UHFFFAOYSA-N 429.441 -0.725 50 20 IBGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885394 LFZRALQPWLUGED-UONOGXRCSA-N 425.446 -0.578 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778358986 QMIMHUHFEQQGSM-VQIMIIECSA-N 430.933 -0.766 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778463619 YKXCCAHUSDRJTP-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1779296566 WXGOXYLPPACYGG-SFHVURJKSA-N 434.529 -0.287 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780074632 LZVUFKOMBRFPIX-OAQYLSRUSA-N 427.266 -0.402 50 20 IBGD CCN(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781452395 KTOQNYPNRWPRJJ-ZWDAVXSWSA-N 431.342 -0.166 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783871543 SWMSRPGVCJDNHB-XJKCOSOUSA-N 425.935 -0.602 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793369371 GCAJBKQVONGUEO-SVNGYHJRSA-N 429.308 -0.053 50 20 IBGD Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794136414 UYPQHYMFSGANQJ-UPHUGPLXSA-N 441.293 -0.193 50 20 IBGD CO[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795737588 YIJJZYSRFRXQEA-YHELAOLJSA-N 438.289 -0.043 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cccc(N2CCOCC2)n1 1796616766 RZWYEEVTPNZIDH-KPEUIFRASA-N 438.912 -0.279 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccncc1Cl 1798060045 USMQOSMHFVNGPC-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801399173 WPFVTEPXVKGNEP-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802159895 MRXYVKYESJSNRV-OPDFLTKYSA-N 447.920 -0.624 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804347632 GWPZPHBRWFSZPY-ORIJERBGSA-N 437.884 -0.061 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1813070473 GZRPDXQYWHUDMW-PGRDOPGGSA-N 446.552 -0.207 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830724965 KLTYYFZYVPLIAI-HNAYVOBHSA-N 440.884 -0.290 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3)CCO2)C1 1834005948 HEPIGWJZJZEBIF-OAQYLSRUSA-N 440.460 -0.536 50 20 IBGD Cc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834037835 WDIQHMUQLYNSFC-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834069706 HXCZLRYUHNJJGU-FQEVSTJZSA-N 437.497 -0.266 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnnc3)CC2)CC1)c1cccc(B(O)O)c1 1834800942 BTVNUDHUWRTSSL-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(c1ccc(O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931285 KZUHROVMMDTMBC-JOCHJYFZSA-N 440.261 -0.544 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837384791 ILLRTQPOWFDIEI-QWQRMKEZSA-N 434.921 -0.596 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949744 YILFLBYENAAYIN-KDOFPFPSSA-N 442.856 -0.501 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839216395 RTWAOZDWTSRMLE-IIYDPXPESA-N 432.315 -0.153 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840033741 OMTLNGWJVWEULK-MEDUHNTESA-N 445.318 -0.441 50 20 IBGD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)nc2N1 1843232199 CBBVIUHZNYKNEO-UHFFFAOYSA-N 434.261 -0.223 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1843417013 NOYWWZKZQJJFNB-HYARGMPZSA-N 431.497 -0.303 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1844353548 IHUXDIBLFRVJCC-UHFFFAOYSA-N 438.293 -0.516 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1C 728503098 IOJBZAKDQOEAKA-UHFFFAOYSA-N 446.445 -0.401 50 20 IBGD COCCS(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 737757112 TVOKXPGCNHCNMF-UHFFFAOYSA-N 435.524 -0.763 50 20 IBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)cc1 751206661 KUPQIIHDOOLCNB-FQEVSTJZSA-N 427.417 -0.068 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cnc(N(C)C)n2C)cc1 751805871 BHNMDCSEHALEBU-UHFFFAOYSA-N 437.526 -0.054 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc([S@@](C)=O)c2)n(C)c1=O 756525151 LLYOKWGOILSTIZ-SSEXGKCCSA-N 433.450 -0.976 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763646624 IVOGKKZVLXEJQS-UHFFFAOYSA-N 446.464 -0.611 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 763808443 BDTPYWAZERWSBO-UHFFFAOYSA-N 427.417 -0.625 50 20 IBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc(Cl)c1OCC(N)=O 763819251 WGSFHUUHPOMMEK-UHFFFAOYSA-N 435.824 -0.201 50 20 IBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1ccc(F)cc1Br)S(N)(=O)=O 764083944 CRWJIFCAMCCPAC-LURJTMIESA-N 425.236 -0.858 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)CO)c1 764420713 FDSMZRAARXQLTR-UHFFFAOYSA-N 441.510 -0.605 50 20 IBGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764431208 ADJCDVAECJKVDC-OAHLLOKOSA-N 442.494 -0.488 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2sccc2Br)n(C)c1=O 765724472 JNMHAWZTSMHJMN-UHFFFAOYSA-N 441.267 -0.281 50 20 IBGD CCn1ccnc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 813488237 RODFMEYJKWQWET-UHFFFAOYSA-N 434.522 -0.021 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782045903 GDRVWACSVADUIH-OAQYLSRUSA-N 441.444 -0.146 50 20 IBGD COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1785809957 UBSULVUNIGKUOD-IEZWGBDMSA-N 439.277 -0.323 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2cccnn2c1 1790431340 LWTXKPHGSZFAOC-NDXORKPFSA-N 448.288 -0.079 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1790961063 GESUVTIORMVRLW-PEDHHIEDSA-N 433.347 -0.268 50 20 IBGD C[C@@H](C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)n1cnnn1 1809972125 CBUVFYYBLFMKMM-HNNXBMFYSA-N 426.286 -0.541 50 20 IBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825237855 LSJVGTIRAAMSBF-AWEZNQCLSA-N 430.295 -0.425 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)Cn2nccn2)CC1 1830430131 PBJUXROKRKKFCD-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CCC1=O 1832380163 JQEVYNZPGBISBA-CJNGLKHVSA-N 449.277 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)Cc3cnc[nH]3)CC2)CC1 1835064008 HGZPXDVFSFJZFJ-UHFFFAOYSA-N 433.557 -0.103 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835765572 WVPQMTWNPJZIGS-PXNSSMCTSA-N 446.976 -0.538 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1837922225 ZBRCAVCKSLBZJE-AERCQKQUSA-N 442.321 -0.129 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cnnn1 1839203398 JZDNRMDAEPFOBE-UHIISALHSA-N 435.254 -0.619 50 20 IBGD O=C(c1ccccc1-n1nccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839379263 WNBNKVSVLUXSFZ-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1840021442 GALIQNIVDLNDGE-CKFHNAJUSA-N 449.932 -0.044 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840450189 VHOUWCQMITUEFM-URLQWDBASA-N 427.885 -0.095 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840575439 GSALAVQAKVDPJI-PXNSSMCTSA-N 434.323 -0.668 50 20 IBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 725896532 KDOUTRPONBCZAL-MRXNPFEDSA-N 438.506 -0.273 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)n1 728723277 ONJLSQRQJBRGJN-UHFFFAOYSA-N 441.491 -0.552 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CCCCS2(=O)=O)cc1 753274848 SPWPTZVUIOFFOD-OAHLLOKOSA-N 446.551 -0.087 50 20 IBGD CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 755268940 SPJYVGGPCHRGCU-ZIAGYGMSSA-N 425.530 -0.018 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCC(=O)c2ccc(Cl)cc2)n(C)c1=O 765725460 SHXGHMDYYQRQAO-UHFFFAOYSA-N 446.851 -0.102 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)N3CCN(C)CC3)CC2)cc1 788169573 QVVUSYSOXANSBR-UHFFFAOYSA-N 438.554 -0.710 50 20 IBGD Cn1cc([C@@H]2[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 797710923 ARQQZVIEBQHXGX-VNHYZAJKSA-N 440.526 -0.374 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815569589 ZLRTZVGHWQYAIM-UHFFFAOYSA-N 435.178 -0.153 50 20 IBGD CCOCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920503331 JGYVGXWQTVDEJS-UHFFFAOYSA-N 428.449 -0.388 50 20 IBGD CN1CCC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)C1 1780572249 HYUMXLOYCVERED-KKLQWCBXSA-N 443.353 -0.164 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782441287 UKDOHBHVUBBDIT-OAQYLSRUSA-N 432.525 -0.275 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783876832 AVJKPUCGGQCBGO-RDTXWAMCSA-N 425.873 -0.618 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ncc(Cl)cn1 1785817292 YBQJKELNSWGVSV-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cnn1C 1786185072 UJRHYROQSQRBAD-KKXDTOCCSA-N 441.492 -0.366 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786893081 WBDRCJXWILDTTM-QNSTZXKLSA-N 433.347 -0.268 50 20 IBGD Nc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)s1 1786933304 WGFMOVSWEWBSCE-QEJZJMRPSA-N 430.295 -0.688 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccn2cncc2c1 1788406562 NVFQOLIFEPNXBL-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1F 1791288808 VQMJHGLBCKWSQE-KKUMJFAQSA-N 438.504 -0.166 50 20 IBGD CN1N=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CCC1=O 1794038528 LUNHFWKMRSKDAG-CLLJXQQHSA-N 427.465 -0.455 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736975 SIRORCINJUXXIC-PHXBYCTMSA-N 431.342 -0.453 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2 1797748645 PEGKXAUDSVTHQR-HBCWATKFSA-N 440.460 -0.638 50 20 IBGD 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Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 917495846 AZWSLYQRDPTVMJ-CYBMUJFWSA-N 435.510 -0.035 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778446172 FWFDPQIGSULEOR-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1779028416 LFAZKXIOXFWYET-FQEVSTJZSA-N 427.465 -0.516 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779035717 MFDOVKALIDYAMS-LAUBAEHRSA-N 446.508 -0.567 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779502262 URWIBQBCTIAIBF-IBGZPJMESA-N 430.657 -0.433 50 20 IBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccc1O 1780748823 NCHZYLWTJLSGEZ-QFIPXVFZSA-N 440.261 -0.162 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783349593 OIEQQZCBSUANBB-LXZKKBNFSA-N 434.331 -0.360 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1787507534 AFPXISWTKZMAKG-SCKQLIHUSA-N 444.492 -0.764 50 20 IBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccn1 1788905403 NONYTGWVJWBHKF-WDSOQIARSA-N 439.277 -0.323 50 20 IBGD C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)NC(=O)NCc3ccccc3)[C@H]2C1 1789726739 RMYBCZLQNPNALF-WNHJNPCNSA-N 447.536 -0.307 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791286502 GDRNOVJXAQSKEQ-NXOAAHMSSA-N 425.530 -0.746 50 20 IBGD CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1792866902 ZLYIXKMJSKMKRC-DMUMMCEESA-N 447.536 -0.307 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)(F)C(F)(F)C(=O)O)c1cccc(B(O)O)c1 1793972736 KVYMQDQAZJQJPD-CLLJXQQHSA-N 446.162 -0.027 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754147 MOYYIHCHLYAMNA-LJGDNWOOSA-N 441.492 -0.346 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)N1CCN(C)CC1 1798442068 UPGJQOLGHVESLU-WCXIOVBPSA-N 443.552 -0.427 50 20 IBGD C[C@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793706 RLSQVBSVLWJUSA-ZJUUUORDSA-N 445.505 -0.121 50 20 IBGD Cn1nc2c(c1C(=O)N1CCOC[C@@]3(C1)CN(C(=O)[C@@H](O)CCl)CCO3)CCC2 1830736384 SHJUOGGBAVYRNT-KXBFYZLASA-N 426.901 -0.422 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833475501 QEXMMLABFUOHJV-CJNGLKHVSA-N 448.245 -0.154 50 20 IBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1834822601 XLNVXZBIJJKHSE-KRWDZBQOSA-N 434.331 -0.440 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537403 HAHAWCRRULMIFM-INIZCTEOSA-N 441.849 -0.567 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033522 IBZKPVGZRHSOFD-XNJGSVPQSA-N 432.315 -0.083 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840185856 UBUQSOXZDHALPT-LJQANCHMSA-N 444.605 -0.333 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 741790165 AEUIGEOKNUCSKM-MRXNPFEDSA-N 425.555 -0.163 50 20 IBGD COc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1S(=O)(=O)N(C)C 757775359 JFZFPBTVGKXVFU-VIFPVBQESA-N 437.500 -0.964 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 758035057 JQCOYCJFTKGWJG-GHMZBOCLSA-N 426.524 -0.007 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2c(C)noc2n1 765721998 RUFGPRKBIVYTOY-UHFFFAOYSA-N 426.393 -0.952 50 20 IBGD CCn1nc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775462199 WBGJKIDZAFSPGQ-IUODEOHRSA-N 430.465 -0.004 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2CCCS2(=O)=O)c1 918187050 QQBYNHZYCBSCBH-UHFFFAOYSA-N 446.551 -0.096 50 20 IBGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(O)n1 1780270894 WJOBLGWMXOSTAS-OAQYLSRUSA-N 425.250 -0.467 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(=O)oc3)[C@H]2C1 1786278490 JILPTJORFJIACL-ZLIFDBKOSA-N 441.444 -0.455 50 20 IBGD C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980196 UQZPNKXFRITESR-LQJIQPLVSA-N 440.309 -0.508 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984497 MRFBZAKNQAJWNX-JBACZVJFSA-N 443.353 -0.164 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2cn[nH]c2cn1 1788465705 KHJRFXPOLGHZNX-VHFSOBRXSA-N 449.276 -0.455 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2)[C@H](O)CCl 1792984193 ZPHHDWNMHQVACC-QHHYFVSCSA-N 447.875 -0.081 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)CC1 1797308392 ZGJMLFMSWRKESS-JJAZEVLHSA-N 445.358 -0.477 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799152179 AWMJBBUALJZKPF-YYYYNJOWSA-N 449.552 -0.650 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1800979226 XFCBOSDTUNIFKP-IPJQOSJUSA-N 435.868 -0.454 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2nccn2)[C@H]1c1cccnc1 1808961122 OZDPICNWVDVDQQ-OXJNMPFZSA-N 428.497 -0.248 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809971322 RDXFZWIDZIUYCF-INIZCTEOSA-N 427.310 -0.098 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810818615 YESBEWXEBDSIMK-QGZVFWFLSA-N 430.314 -0.342 50 20 IBGD Cn1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)cc1O 1815337806 WUYDDWXMWPNCTN-GFCCVEGCSA-N 441.278 -0.198 50 20 IBGD COC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1829940934 SDUHGVDLCKWXCY-HXUWFJFHSA-N 435.481 -0.820 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1830364740 SDDHAPMYWQDWCV-DNVCBOLYSA-N 433.933 -0.642 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1835932118 ORUWQAXVOSZNBG-FQEVSTJZSA-N 431.229 -0.783 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1837455688 DLCLJMVWRXFFNV-YVHKJVDXSA-N 443.504 -0.199 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838330841 JWIOTWHDQYEYSN-MRXNPFEDSA-N 432.264 -0.551 50 20 IBGD COCCN(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727033418 RMDRZUYITKVUIW-UHFFFAOYSA-N 443.526 -0.770 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 728373003 UVMOSPONABYYDO-CYBMUJFWSA-N 431.492 -0.860 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 729275743 RDOQLCNPZZEIHH-NSHDSACASA-N 448.523 -0.822 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 745443050 ZTKXTBDROCUZOD-RFOKVQRGSA-N 429.429 -0.150 50 20 IBGD CCCOc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1OC 759636372 KAPGLKKQEUXFMM-UHFFFAOYSA-N 428.511 -0.178 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(NS(C)(=O)=O)cc1 764818992 YOWPRDINDMZAFP-UHFFFAOYSA-N 447.477 -0.654 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787549703 PJTWSMMSCJCUHT-UHFFFAOYSA-N 428.467 -0.398 50 20 IBGD N#CCNC(=O)CNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 807555129 UPWOZGAVKHQFAU-UHFFFAOYSA-N 433.432 -0.028 50 20 IBGD COc1cccc(C[C@H](C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n2nnnc2C)c1 816878569 URQCRLXZKVCFGW-GOEBONIOSA-N 425.453 -0.225 50 20 IBGD O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1785153507 UXQHTKZATAVQQP-LIJGXYGRSA-N 435.250 -0.745 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785442054 AWDSHJWATIKBKG-WIYYLYMNSA-N 431.298 -0.885 50 20 IBGD CCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979439 IZEFNLHYRQNZEY-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1791474656 ADXDUDVLQRUYEL-DZYDDEDGSA-N 448.480 -0.544 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1Cc2ccccc2CN1 1796324795 AJQKOUXWQVMNJP-MXNKGDRCSA-N 449.316 -0.716 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1797750567 LKJHVEAYPUEMGY-WDAIWFPHSA-N 431.478 -0.759 50 20 IBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c(O)n1 1798654104 SWQIUBMMFQCDNO-FVCICTRLSA-N 440.460 -0.389 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373340 CDFIMXHQCXQGBT-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)COCCO)CC1 1828924067 JHIYSAMUUDWZTQ-SFHVURJKSA-N 433.509 -0.073 50 20 IBGD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830724689 APEOGMSIMSIKLA-FZKQIMNGSA-N 430.889 -0.208 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564799 UYRGOHTYFUWGRF-GDZNZVCISA-N 449.346 -0.791 50 20 IBGD CC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456834 OFBBEXVJDSWYSX-HXUWFJFHSA-N 433.465 -0.876 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457899 VFNZTPHWFYDKPC-LFRPXUGBSA-N 448.524 -0.872 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccoc1Cl)CCO2 1838843986 VBKIXFCTAVOSOS-HXUWFJFHSA-N 448.668 -0.003 50 20 IBGD Cc1nscc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183675 SYZSTEBGRDMVDS-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840184997 INOGQWHDOXRPOA-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1(F)F 1840825952 XIXXBXKZBRILHB-RBUKOAKNSA-N 438.236 -0.518 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728372273 LLAPZVAGCAZJEF-OAHLLOKOSA-N 443.547 -0.014 50 20 IBGD O=C(NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 728715303 VNDHNBGMAZWPTI-UHFFFAOYSA-N 427.469 -0.743 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733350416 WPLXZWHKHRUQMY-UHFFFAOYSA-N 427.465 -0.103 50 20 IBGD Cn1ccnc(NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O 747945104 APTNDTHOQLZWMH-UHFFFAOYSA-N 448.505 -0.463 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1C 750659438 PNBFIIQPFVYGAI-UHFFFAOYSA-N 447.477 -0.895 50 20 IBGD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 757829839 HFLWCTZPOVJPEY-GFCCVEGCSA-N 427.483 -0.442 50 20 IBGD CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 762549538 SUJKAMPCCSVBRC-AWEZNQCLSA-N 430.914 -0.274 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cc(-n2cnnn2)ccc1F 763569821 CGQFCLSCTILRIW-HNNXBMFYSA-N 427.352 -0.273 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 764227639 OTVLVPIHIBPAFO-CHWSQXEVSA-N 441.510 -0.897 50 20 IBGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)c1 764243115 MAZQDKCORVYERC-UHFFFAOYSA-N 436.428 -0.358 50 20 IBGD COc1cccc2c1OCC(C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)=C2 765725044 PIWJKBHOFLDQDB-UHFFFAOYSA-N 440.416 -0.934 50 20 IBGD Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)n[nH]1 768278475 SDEFGKCLQKUJIV-UHFFFAOYSA-N 436.494 -0.120 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 768499252 KFOXCFRJXXTBIX-LURJTMIESA-N 445.273 -0.396 50 20 IBGD COC(=O)N1CC(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 770430902 NWVGXWPBQQISEK-UHFFFAOYSA-N 425.467 -0.134 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@](C)(O)C(C)C)CC2)cc1 771416340 RZWVLVSLFKTVHM-LJQANCHMSA-N 426.539 -0.144 50 20 IBGD CN(C(=O)OC(C)(C)C)[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 794822719 FXQOZQFQHFYQOR-AAEUAGOBSA-N 429.499 -0.090 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 800054836 JOOBAVDNMHFBPP-JSGCOSHPSA-N 432.524 -0.248 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033663 BBQXJONOFFUEJF-PIGZYNQJSA-N 440.298 -0.088 50 20 IBGD CN1CCCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781029728 PYWFRJMWGLVPFF-UWJYYQICSA-N 430.509 -0.387 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325273 AWMYUIFYKFMWPT-GOEBONIOSA-N 432.246 -0.178 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782223258 LVEJKBNVSXXKSY-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CCN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786986755 DWGOYVNFLUPYLH-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cn2ccccc2n1 1787840198 AMXUXSCTIVXNJX-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccn2cncc12 1788421394 NBMOEIJYHZXOPF-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1791255328 MASAZCDPNJQQCQ-CYDGBPFRSA-N 425.873 -0.577 50 20 IBGD Cc1ncccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732882 OUKFQKRZPQZTMK-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD C[C@@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734382 GBJOMEFFYOKAPR-DFYYWFRZSA-N 438.293 -0.535 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@@H]2C1 1797633732 CLFMUOJEKPDMFW-BJDQLAMTSA-N 442.520 -0.772 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1801010526 BYPZDIROPOFZHT-USGNIVHTSA-N 443.508 -0.606 50 20 IBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331893 VDNSNGUTRZIWSX-RYUDHWBXSA-N 434.946 -0.405 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833765186 RYCCDGURLXWIML-LSDHHAIUSA-N 443.932 -0.590 50 20 IBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835244845 GTKJNLOCCOOVLW-ZFWWWQNUSA-N 427.267 -0.204 50 20 IBGD O=C(c1ccsc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929512 SINCOLPVRIWLHU-FQEVSTJZSA-N 430.291 -0.188 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1835932216 ULFHJBLUIDMJPY-DCXXXQMHSA-N 444.318 -0.689 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1835934439 SKDCBIQRACWRIB-IPELMVKDSA-N 440.664 -0.639 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457901 VFNZTPHWFYDKPC-XXHMAFKTSA-N 448.524 -0.872 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837738746 YIBQSPDZQVSJBO-QMTMVMCOSA-N 426.901 -0.062 50 20 IBGD O=C1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CN1 1839197525 ZXRUUWDOZLHFKN-RBOXIYTFSA-N 436.278 -0.341 50 20 IBGD Cc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840182265 BGOYVVWCAKZLEM-QFIPXVFZSA-N 447.536 -0.238 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840878843 RPLBFPFYBCVTEN-UZLBHIALSA-N 426.514 -0.758 50 20 IBGD O=C([C@@H]1CC[C@@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012012 UZLREBBUCARAER-SJLPKXTDSA-N 425.294 -0.416 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 728509652 KFMRRLOFKFOMCC-RXMQYKEDSA-N 434.279 -0.061 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 731761418 KLBXNPISHIGROD-UHFFFAOYSA-N 449.555 -0.726 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 740851698 RHSDKZDZDSEDFE-UHFFFAOYSA-N 443.526 -0.669 50 20 IBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)C(=O)N(C)C3=O)n[nH]2)cc1OC 763147397 GRXGIAXCRULBNE-UHFFFAOYSA-N 430.377 -0.725 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1 764225698 CHWYSCBTZSJXBD-QMMMGPOBSA-N 426.373 -0.349 50 20 IBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 784916763 BZXPYZZGDACWPX-UHFFFAOYSA-N 426.499 -0.746 50 20 IBGD NS(=O)(=O)CC1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 799983919 RARDDEVUGBYAAX-UHFFFAOYSA-N 427.483 -0.346 50 20 IBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1C 808069401 VXZHUASXHUUWJD-HNNXBMFYSA-N 437.430 -0.080 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN(C)c1ncnc2[nH]cnc12 917918360 PNIPKYPUEJJMDF-UHFFFAOYSA-N 431.482 -0.148 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951597 ZVIQYIPGQBSSCC-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777982452 MERLEEXEOJFVFQ-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1779030810 IKAZALDBOGPFGV-NRFANRHFSA-N 439.476 -0.449 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744938 IMELOZWJOGBPFV-BZNIZROVSA-N 434.287 -0.610 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979615 DHFWVQHLVDITGR-WNHJNPCNSA-N 430.310 -0.467 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788644922 KECLWQSUBAKQER-ZFHCCXERSA-N 448.358 -0.352 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(Cl)n1 1798080672 MOSLYCVQTAQRRK-QHBPRCKVSA-N 445.867 -0.355 50 20 IBGD COc1nn(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440815 VJTLWQRNPAMLAB-CLLJXQQHSA-N 427.465 -0.007 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@](C)(Cl)CCl)CC1 1799276504 LCAFPTIKMADUNF-HIRMHNASSA-N 449.379 -0.024 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1800640293 PIADEBXATWWVOV-UYNYGYNWSA-N 431.287 -0.652 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1801011635 TVQSKJXZUNBVNT-UPHUGPLXSA-N 434.537 -0.352 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801371299 ZWSVGQSILFYAKH-VYCZESIESA-N 426.282 -0.898 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)CN1 1804971772 IMHLVMLJMFGANG-QGZVFWFLSA-N 427.310 -0.263 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367780 VUIKTXOTVIOYKA-RXVVDRJESA-N 438.293 -0.393 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807373430 RWSMCUDMHOWPNQ-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD CC(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833345497 RNPLSAXJFOXNHT-FQEVSTJZSA-N 431.342 -0.432 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnc[nH]1 1834167388 QLLKZUUQHICINR-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836677185 WDDRTBMKHQTXKC-QAPCUYQASA-N 447.374 -0.526 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839214948 OFFXSMIPDOMILS-HNAYVOBHSA-N 427.574 -0.085 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840184668 AKLZURBIVDLBQK-MYKUNDNFSA-N 440.541 -0.633 50 20 IBGD COc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)c1OC 758045806 PLNVTJFDIAXWOO-SNVBAGLBSA-N 431.467 -0.240 50 20 IBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Cl 764228527 XUECFDFPNBIWIT-QMMMGPOBSA-N 434.858 -0.460 50 20 IBGD O=C(C[C@H](C(=O)NN=C1CCN2CCC[C@@H]12)N1CCOCC1)NN=C1CCN2CCC[C@H]12 765578012 QVROSAQHYCCDKO-HSALFYBXSA-N 445.568 -0.242 50 20 IBGD COc1ncc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 765726363 BEUMYNQBDKBBHA-UHFFFAOYSA-N 448.505 -0.439 50 20 IBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781971981 NODZIJPKXJBKOA-RISCZKNCSA-N 427.870 -0.043 50 20 IBGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccnc1-2 807071170 ZRUIBWPNESFKFS-UHFFFAOYSA-N 425.405 -0.646 50 20 IBGD CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778091756 QBWLVCZPXXMJLO-BBPCXNGUSA-N 446.508 -0.230 50 20 IBGD Cn1cncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779370979 ASZIEWROFCMFQX-DYESRHJHSA-N 441.492 -0.140 50 20 IBGD COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783932877 IHLCARPOGJUIFY-IFMALSPDSA-N 448.520 -0.069 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784850215 CUXQSYFXLZWJPK-ZMFAJRETSA-N 429.477 -0.157 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785155312 MBMGPHHKAGEEQM-IIRVCBMXSA-N 431.287 -0.652 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978594 BJUNTEMCFQJKTL-FFGOWVMKSA-N 429.326 -0.556 50 20 IBGD CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)cc2C1 1790522410 CQYSWYRCJIZTCQ-PLYYQAHHSA-N 439.944 -0.088 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801393664 UCRQYPHGHPWYRT-SNOXVSQISA-N 442.480 -0.608 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)N1 1806634015 MDUJCOUDLMBFCU-KPFFTGBYSA-N 436.277 -0.640 50 20 IBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810306115 UBMRSRXFKZOXNN-JOQOYGCGSA-N 439.476 -0.466 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810817656 MDUGWNQQPYRLKN-KRWDZBQOSA-N 430.314 -0.342 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814928220 RSLVNDSNZKFCLR-LLVKDONJSA-N 436.542 -0.732 50 20 IBGD O=C(CN1CCOC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815024596 CVOPMIGLIMTJPM-INIZCTEOSA-N 441.253 -0.152 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821969206 PRPDIVLFXXPFFF-PXAZEXFGSA-N 427.270 -0.080 50 20 IBGD CN[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1)C(=O)O 1827054522 DKEXYJPYDKPTHB-MOPGFXCFSA-N 445.325 -0.338 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733342 JBXPJTCVFRQYJZ-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD Cc1nscc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833743045 BPJHTOFQACUROS-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD COC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799885 KUHUCOZSDGRFBH-INIZCTEOSA-N 431.342 -0.166 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1C 1835928438 PYBVNUSTXXLIJK-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837702677 GYMMVWGGXZLGRW-AHIWAGSCSA-N 432.315 -0.083 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839718496 XYNZCAXDJWLEHK-WMLDXEAASA-N 446.819 -0.253 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840186026 ZFPSEWHMOFXSQS-FQEVSTJZSA-N 437.497 -0.320 50 20 IBGD NS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728339594 CKVPLXVZLWNQGV-MRXNPFEDSA-N 449.441 -0.381 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21 742034627 QWCSCEFOYRTRLH-LBPRGKRZSA-N 433.494 -0.099 50 20 IBGD O=C(COC(=O)c1ccc(S(=O)(=O)NCCO)s1)NNC(=O)c1ccccc1 745145782 NFTWFJXYYHXVDO-UHFFFAOYSA-N 427.460 -0.363 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745446028 NBNHOBFTVULAEG-WEBKGQRMSA-N 429.429 -0.150 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc3ccccc3s2)n(C)c1=O 755353035 FZLZPIUBGQIXNZ-UHFFFAOYSA-N 428.434 -0.104 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(Br)cc2)c1 756081229 RVMTWHFRJGJOFL-UHFFFAOYSA-N 446.283 -0.313 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 758028937 HDOGJHCMAOTXKA-SECBINFHSA-N 438.915 -0.421 50 20 IBGD Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765724486 JUNQADDPHBCLJB-UHFFFAOYSA-N 428.449 -0.251 50 20 IBGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765734273 XGXAWXIEEZRCEW-UHFFFAOYSA-N 437.500 -0.049 50 20 IBGD NS(=O)(=O)CCN1CCN(C(=O)NNC(=O)c2cccc(Br)c2)CC1 799936592 VJAOBIOGZXNQKL-UHFFFAOYSA-N 434.316 -0.290 50 20 IBGD Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1779159963 VTATXTMPTITDJS-HXUWFJFHSA-N 427.465 -0.597 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782711337 FETSWUODCWQATD-KUHUBIRLSA-N 428.486 -0.249 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)CC1 1783533787 JCQDBSKIYJQWIH-KDOFPFPSSA-N 445.358 -0.236 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784349157 MXIIJBGGUPBOEO-AOMKIAJQSA-N 438.293 -0.662 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796446151 NKHSHPZDNNRARH-SRGQWWCUSA-N 439.900 -0.036 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n(C)n1 1797749553 DKHPCKSRVQWXKG-FVCICTRLSA-N 427.465 -0.756 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800760439 OJVNGITYNRKEEA-CHWFTXMASA-N 426.271 -0.438 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807355987 RDIGITMJPWDVGW-NOLJZWGESA-N 445.867 -0.268 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CCN1 1817475227 LRPXVICVFGCJBX-PBHICJAKSA-N 439.281 -0.078 50 20 IBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824182769 JTAQGAFHWFNVLH-UONOGXRCSA-N 437.888 -0.354 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732193 VXVLHHWVXDTGNS-IINYFYTJSA-N 432.779 -0.852 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831914709 BLLXVIUMYWHTNY-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1)[C@H](O)CCl 1833312786 DQGKJRUIDFOWKJ-CYBMUJFWSA-N 442.866 -0.164 50 20 IBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1833313245 BRBXFEQPMKCFGA-LPHOPBHVSA-N 444.020 -0.206 50 20 IBGD N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835514068 ZBIVPVLNJMCGCF-MFKMUULPSA-N 427.296 -0.240 50 20 IBGD Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837369742 BLRDTQYOROIKIN-UHFFFAOYSA-N 441.297 -0.579 50 20 IBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)o1 1838002606 NZYPXIDDUAUBNP-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD O=C(c1cc(CO)on1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838805075 GOIJMPZGKDANEB-IUODEOHRSA-N 436.234 -0.073 50 20 IBGD CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](F)Cl)C4)C3)CC2)CC1 1839106776 BDUHAHNEBKKEGC-QAPCUYQASA-N 432.924 -0.243 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840153431 OJWNWDYLKBESOB-KUHUBIRLSA-N 442.900 -0.011 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840185246 HTJQGSKYQPUGAK-MHRHTVJOSA-N 449.508 -0.472 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263882 WAQRJRVQTQAIKL-ROUUACIJSA-N 448.303 -0.396 50 20 IBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 729299561 JYXMDUBJJMWETR-INIZCTEOSA-N 442.520 -0.073 50 20 IBGD CNC(=O)C1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 729966614 NYKJCTLRASIDJI-UHFFFAOYSA-N 438.506 -0.686 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ncnc4[nH]cnc34)c2)CC1 743471796 WQAHPTIXFDYSQC-UHFFFAOYSA-N 444.477 -0.037 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745445752 NBNHOBFTVULAEG-NXQUOZRTSA-N 429.429 -0.150 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)n1 763886158 RXOOGHACZAKYCZ-UHFFFAOYSA-N 441.492 -0.326 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 764377220 BCZJKNUNZXOHOG-UHFFFAOYSA-N 447.839 -0.818 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)n(C)c2n(C)c1=O 770966604 SLBPNEHWCIDCJJ-UHFFFAOYSA-N 441.452 -0.067 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 914605576 IVYSITHHTKEJRB-GFCCVEGCSA-N 433.483 -0.194 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2ccc(C(N)=O)cc2)cc1 920540963 ZFLLQLUWXKIRMB-UHFFFAOYSA-N 434.474 -0.059 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778675745 UCKPVMUFTIPVFY-JOCHJYFZSA-N 434.261 0.000 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1779025048 QAGNGUCGXAHPJY-OAQYLSRUSA-N 441.249 -0.325 50 20 IBGD C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1779028104 DMJPDRBGQFBFML-DLBZAZTESA-N 445.398 -0.558 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779034027 JDLARTIEBXXAIX-BTYIYWSLSA-N 441.492 -0.105 50 20 IBGD Cn1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)cn1 1784574839 XUIBNHZVUGXTSY-FQEVSTJZSA-N 427.465 -0.895 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3O)C[C@@H]21)c1cccc(B(O)O)c1 1786985009 JGYKPGMYAIKKOU-CUWPLCDZSA-N 438.289 -0.092 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1787508684 GLFTXQMTWFASGR-XLGDDXSJSA-N 431.493 -0.129 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n[nH]1 1788611050 HNIXZINXEMUZDT-KKXDTOCCSA-N 441.492 -0.447 50 20 IBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)no1 1797829587 YLGTUSVXRRBOAZ-DJBIQUGXSA-N 447.261 -0.007 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C)[C@H]1SC(=N)NC1=O 1802332325 ALGAGTRQOZLECO-CQUYNDQOSA-N 438.554 -0.200 50 20 IBGD CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806943012 DOECSARDHWVFSP-YOEHRIQHSA-N 439.476 -0.512 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1810303652 ULGSARZXQMTVFV-BEFAXECRSA-N 449.475 -0.309 50 20 IBGD O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1812640364 BTJMWGVVSMABDE-UWVAXJGDSA-N 436.277 -0.783 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)[nH]n1 1819402180 SAWSVZPIPVVVHW-HIFRSBDPSA-N 440.464 -0.007 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1830365064 ALYLQNHREULCHG-LJQANCHMSA-N 426.901 -0.035 50 20 IBGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1cccs1 1833027310 JJBIAGLBBOOFCO-UGSOOPFHSA-N 445.925 -0.466 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833496636 DYFQZNSJWUQRAT-HRAATJIYSA-N 445.369 -0.041 50 20 IBGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1834408519 CLKGLPVIBPKFHP-FQEVSTJZSA-N 436.513 -0.654 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798165 YRUCRKIQJIXHOB-HNNXBMFYSA-N 444.341 -0.937 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1)c1cccc(B(O)O)c1 1834801265 XFSHXLQNXGCUON-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(c1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935190 FWAAKCXBRZLUIB-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n[nH]1 1836146702 BSOWVCQWGLFBFY-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837515575 RMLUVFLHGDZSDW-IEZWGBDMSA-N 433.933 -0.499 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840154020 IASRJPJYLFTQAT-UGSOOPFHSA-N 430.889 -0.248 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc3c2NC(=O)C3=O)C1 1844126821 MVDHOABPEJQCFT-UHFFFAOYSA-N 448.439 -0.049 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O 731679561 OLQNAOBCRGEUAZ-UHFFFAOYSA-N 434.544 -0.440 50 20 IBGD O=C(NNC(=O)N1CCOCC1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 745996206 QUJJRFOHKHMIGA-ZDUSSCGKSA-N 438.462 -0.303 50 20 IBGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 748458606 DPNBFIOBRNPPOU-UHFFFAOYSA-N 440.501 -0.544 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 748825227 UTUDVEISHSWGOU-CYBMUJFWSA-N 447.558 -0.501 50 20 IBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)c1 752285664 VZEGXIHSAMCGOY-RYUDHWBXSA-N 425.463 -0.361 50 20 IBGD CCn1ccnc1C=NNC(=O)C[C@@H](C(=O)NN=Cc1nccn1CC)N1CCOCC1 755743211 LTXAOIOLFCOZNJ-INIZCTEOSA-N 443.512 -0.189 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 756206816 ODNWTIHLWFDKHV-SMDDNHRTSA-N 426.499 -0.773 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)n1 763893729 YAGPLYODSURWNP-UHFFFAOYSA-N 426.433 -0.065 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)c1 764023937 FFJYFBGBZCMYIM-UHFFFAOYSA-N 438.462 -0.134 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3coc(S(N)(=O)=O)c3)cc2)CC1 764140771 YHCQAANTPDUDDD-UHFFFAOYSA-N 443.507 -0.380 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 764202966 DEOIURCJKKCZEM-UHFFFAOYSA-N 431.902 -0.228 50 20 IBGD NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 764370084 MREDQSKFUNWFEZ-UHFFFAOYSA-N 449.370 -0.341 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nccc(N2CCOCC2)n1 771048802 WBBXESLKTHETAF-GFCCVEGCSA-N 449.493 -0.778 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776060877 AAQIFMZCVSHARB-GFCCVEGCSA-N 431.471 -0.693 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 778663364 ULLYZMRLVJQCIS-UHFFFAOYSA-N 425.533 -0.780 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 779350713 RUTYMKCPHLPXRQ-CYBMUJFWSA-N 430.483 -0.088 50 20 IBGD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)NCC(=O)OC)c1 779846636 MOGGSFUOEVPKKT-AATRIKPKSA-N 431.423 -0.445 50 20 IBGD C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 786082487 MESBYZQMXDJYKV-LBPRGKRZSA-N 429.506 -0.440 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032615 VQPCZLLHIYUAMA-IIBYNOLFSA-N 431.493 -0.298 50 20 IBGD CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781793524 XURTWSSVBOANKJ-WIYYLYMNSA-N 431.298 -0.980 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(Cl)nn1 1798035003 FXDIIXMJZOHWNU-FVCICTRLSA-N 430.657 -0.673 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1ccccc1=O 1801011426 KPXDZWGFRMHXOK-MFCZKXCZSA-N 433.509 -0.628 50 20 IBGD O=C(CNC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801034403 RLCVYQOCYYDFCF-BKFJMODKSA-N 434.184 -0.055 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805035559 QZAPUEGRKGDWML-UHFFFAOYSA-N 430.314 -0.518 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363465 FBRBXIDMWPRWIU-LIVBEALHSA-N 438.293 -0.408 50 20 IBGD NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCN2C(=O)OCc1ccccc1 1828550800 BKCYMHOAUKYOON-JXFKEZNVSA-N 438.912 -0.003 50 20 IBGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1832285578 RFEQMURAUVNLRK-BEFAXECRSA-N 440.313 -0.153 50 20 IBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1833768135 KPPHQFQTSOESMV-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1834208767 RYSYDSIOCIOVRJ-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD CC[C@@H](C)[C@@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801150 RLBKDIMHXQOFGG-IIBYNOLFSA-N 444.385 -0.075 50 20 IBGD N=C(N)SCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837826167 GBQLCZCXIYIEHC-UHFFFAOYSA-N 448.354 -0.395 50 20 IBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839090525 FFOBCOIJQZPFHO-PUCZYUMASA-N 431.493 -0.199 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840183597 OBISKQHIBDGBGB-QGZVFWFLSA-N 449.346 -0.399 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)O1 1840184189 BTRTYUXYRFUJST-JXXFODFXSA-N 426.514 -0.617 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1840808362 ULPYAHDQEXTTAR-AUUYWEPGSA-N 442.900 -0.269 50 20 IBGD CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1 728344034 WMWSZXMRVLVXCL-HNNXBMFYSA-N 438.414 -0.032 50 20 IBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2=O)n1 743588655 DNDXEZBULLSTNA-OAHLLOKOSA-N 441.496 -0.048 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 746096916 QWIZYXSHNNEKGI-UHFFFAOYSA-N 448.461 -0.739 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2CCS(=O)(=O)CC2)cc1 756751749 AMOMWXWAWUJFCK-UHFFFAOYSA-N 446.551 -0.229 50 20 IBGD CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc21 763818800 PEBJGJVTPUGTSE-UHFFFAOYSA-N 431.474 -0.015 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1 764234677 ZDARPZMLNOUJHM-SECBINFHSA-N 428.858 -0.451 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(Cl)s2)n(C)c1=O 765126404 QPDZPKKBBFHCSA-UHFFFAOYSA-N 432.871 -0.842 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 768706688 NPHTWFWXQARRAQ-ODWCKFRGSA-N 446.526 -0.466 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 787735472 HPQANVFUNDCDAP-WDEREUQCSA-N 442.498 -0.620 50 20 IBGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 806973191 DAHMRGHOPZVSCP-QGZVFWFLSA-N 442.428 -0.011 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1338052350 OLMWXJAQOKCJCJ-NWDGAFQWSA-N 436.483 -0.015 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778476056 XVCDLMXNFMBSCR-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD Cn1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1Cl 1779032458 KOWAPEKVUNVORI-IBGZPJMESA-N 447.883 -0.171 50 20 IBGD COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210909 YSIKYVKTPJJAJI-OXQOHEQNSA-N 428.530 -0.464 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753253 GTMKMCYQAWOUON-BDJLRTHQSA-N 434.287 -0.467 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783531944 ASDIDPDLRYKXKI-QLJPJBMISA-N 439.270 -0.356 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792889358 OHJVEMLUANIUIB-XLWJZTARSA-N 449.932 -0.285 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2)c1ccc(B(O)O)cc1 1795734662 VPQVAEPIUZLGCX-XEMDLRDOSA-N 449.272 -0.873 50 20 IBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796436929 PXTLNTVLXHIGDL-JLVBRIDZSA-N 447.630 -0.147 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797583714 JXAISCLZFDXSGD-BYNIDDHOSA-N 436.303 -0.329 50 20 IBGD Cc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797748707 WGQKTUKRSMNVFS-YVWYUNDQSA-N 438.488 -0.166 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800220343 BKUWXGRJDRYQKV-PHXBYCTMSA-N 431.342 -0.453 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1800591188 RJDQCHBNVWHGPZ-KYHPRHEASA-N 447.297 -0.539 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1800981675 QGMZETDZPSZQEU-IMPMIVQMSA-N 441.916 -0.700 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1801012162 JQRIAYPQMRUGMU-CJXDPKRBSA-N 432.525 -0.523 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016948 IDNPXWMVABERHY-YVECIDJPSA-N 425.265 -0.126 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806767495 XNTGAQBWCFNUMH-LPHOPBHVSA-N 445.306 -0.874 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798166 YRUCRKIQJIXHOB-OAHLLOKOSA-N 444.341 -0.937 50 20 IBGD CCO/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461504 WNBNDFDJBQFLRB-BFSLETRISA-N 433.465 -0.695 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921566 OKPFMMBHNJRDTI-OAHLLOKOSA-N 445.325 -0.497 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1839146813 XJBZSIAPRZAIHZ-KZULUSFZSA-N 425.873 -0.337 50 20 IBGD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CCN1 1839202697 NDDZUVPGFLMKFO-AXAPSJFSSA-N 436.278 -0.341 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839964192 JSSUGSNWJLMHBT-WFASDCNBSA-N 431.291 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1840183782 ZTEDAMHJAPDWLR-NRFANRHFSA-N 434.493 -0.165 50 20 IBGD CC(C)n1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1C(=O)O 1842260220 UVCRYPBKOHAHEG-UHFFFAOYSA-N 440.265 -0.027 50 20 IBGD O=C(CN1CCSC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15424931 IDOUEARANYCPHO-UHFFFAOYSA-N 428.492 -0.363 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)(C)C 728382455 ZLPZMSNPGNKLDT-GFCCVEGCSA-N 447.535 -0.032 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 743291245 OSIJEBHQDWOYJQ-MBNYWOFBSA-N 444.558 -0.650 50 20 IBGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)C 753034072 CFUNJHFVZMNFJB-GFCCVEGCSA-N 427.483 -0.872 50 20 IBGD CCn1nc(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c2ccccc2c1=O 753694457 FSORDZCKRZBQBK-GFCCVEGCSA-N 436.494 -0.216 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ncn(C3CCCCC3)n2)n(C)c1=O 758162133 KSEDXYKIBWCAPJ-UHFFFAOYSA-N 444.456 -0.617 50 20 IBGD Cc1c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 760440368 WKSANHOJXXCKFL-UHFFFAOYSA-N 434.453 -0.384 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCCn3cncn3)CC2)cc1 766636143 KGXGAAQEUDSVLI-UHFFFAOYSA-N 449.537 -0.479 50 20 IBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 776053426 CNLALBCNXXKQRJ-ZDUSSCGKSA-N 431.438 -0.315 50 20 IBGD CCOCCONC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 776196500 HPKQJOXIHPVZSA-UHFFFAOYSA-N 444.510 -0.061 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1ccc(F)cc1F 808935273 POOXNMNQDTWEGC-SECBINFHSA-N 444.420 -0.517 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc2c(cc1[N+](=O)[O-])OCO2 814877104 IOVJZEINMDSEJY-UHFFFAOYSA-N 443.376 -0.389 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1 914846255 FBERZGZTHKVRRC-UHFFFAOYSA-N 444.491 -0.145 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779061649 RBWKTEXLOHCYED-QRWLVFNGSA-N 433.513 -0.520 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779816939 IJLIKVDDTAMZLF-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1783933251 TZKCSNDMWXVEEW-NRFANRHFSA-N 434.493 -0.026 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3F)C[C@@H]21)c1cccc(B(O)O)c1 1786982222 SADYUZTYAWKCDV-JQFCIGGWSA-N 445.231 -0.053 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)o3)C[C@@H]21 1788611312 UBMMKYVSFOSFGG-IWEFOYFVSA-N 443.460 -0.323 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1791293078 IEDCORPQXVVRDE-WBAXXEDZSA-N 433.509 -0.318 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1COc2ccccc2O1 1793846976 XFNQJFYBIQXUKJ-QKSJRXBFSA-N 446.504 -0.211 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]c2ccccc12 1797413129 NIZKSOISNGXQRK-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)[nH]n1 1819403988 RBAXUUVCYZDPKH-NHYWBVRUSA-N 440.464 -0.150 50 20 IBGD COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800901 CPYPXKYFUULLCV-SECBINFHSA-N 447.477 -0.277 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835636414 NCRKATYMNXWCMA-GOSISDBHSA-N 427.578 -0.866 50 20 IBGD O=C(Cc1cscn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928612 SKYFPZQAMYVDJL-FQEVSTJZSA-N 445.306 -0.864 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837460988 MLFFDMADCSISBI-IBGZPJMESA-N 435.456 -0.353 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1840183614 PPGAMKGCMRZTLK-GOSISDBHSA-N 425.511 -0.414 50 20 IBGD CCc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnc2ncnn12 728323538 HIIVWQIIOANDCP-OAHLLOKOSA-N 426.389 -0.169 50 20 IBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)c1 758034534 HAXDFDXANYAUST-FZMZJTMJSA-N 442.494 -0.607 50 20 IBGD CC(C)C[C@@H](CCC(=O)NNC(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cnn(C)c1 759218905 VFYGRRREZLUPGW-CYBMUJFWSA-N 432.485 -0.182 50 20 IBGD CCS(=O)(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 759604944 IGNWNBJTJJTWLK-UHFFFAOYSA-N 431.946 -0.456 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 761636653 NERHBQLCMMFLMH-UHFFFAOYSA-N 432.462 -0.618 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cc2)CCN1 763837450 GCWCCQCBGQAECO-UHFFFAOYSA-N 429.408 -0.073 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)CNC(=O)c1cccs1 765380567 CEGZCVJSQNJRNM-UHFFFAOYSA-N 445.505 -0.456 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1C 766250881 VUVXTNWICAQRJH-UONOGXRCSA-N 444.579 -0.845 50 20 IBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 771003401 JFLUGSHEERNVOV-LBPRGKRZSA-N 434.474 -0.149 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 919839348 LOCHSVUYODBFQV-LBPRGKRZSA-N 441.466 -0.333 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn(CC(=O)N(C)C)nn2)cc1OC 920641947 COYDNKNLAHIEEB-UHFFFAOYSA-N 434.409 -0.999 50 20 IBGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCC3 1337771211 VPQRBTMISDLQSI-SECBINFHSA-N 425.492 -0.156 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(CO)o1 1779708518 GBJLMDQAYBKKGT-DENIHFKCSA-N 442.277 -0.107 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1783876869 XXBQMQHATJGIMT-NJSLBKSFSA-N 449.932 -0.044 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1783934556 HLUUCXALFSHDOL-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936700 ZLSNZGBKAVXPDH-FOIQADDNSA-N 433.513 -0.520 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(=O)oc1 1786279415 QMFDNTVKZLUEAD-WBAXXEDZSA-N 426.234 -0.773 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986679 XOYVMCSRQCZBAD-UHMOLFJZSA-N 430.310 -0.224 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1789220706 GDBCCRDWCLUSGC-PJODQICGSA-N 437.405 -0.576 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@H]1CC(=O)N(C2CCCC2)C1 1793775085 BCKJOOCFYOPISN-FEZYCPBGSA-N 427.929 -0.033 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2)c1ccc(B(O)O)cc1 1795732896 PNHPQRMHBNHORZ-PJZMMHKKSA-N 430.310 -0.632 50 20 IBGD COc1nc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734358 MXDHDVIZEACCQJ-HGKCTWBKSA-N 439.277 -0.405 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2)c1cccc(B(O)O)c1 1795737299 QIBWAGALCAEZPL-UPMMPCJVSA-N 430.310 -0.632 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2 1796440097 DLLVAULAPHYYEM-LVTGYEAHSA-N 425.449 -0.186 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1801009559 NPUOJOPDHZCOHR-IVWMJMPLSA-N 438.460 -0.641 50 20 IBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808235126 XISKIGFJRKXCCW-TXPKVOOTSA-N 447.540 -0.093 50 20 IBGD O=C1C[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1827053731 YZOFIFDZAKVGPX-MJGOQNOKSA-N 427.310 -0.264 50 20 IBGD CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1830518646 IAPCJQVMZPETHA-GLCFDMNSSA-N 435.481 -0.652 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310335 QRKXBQZRJYZGFO-GDBMZVCRSA-N 434.921 -0.778 50 20 IBGD O=C(c1ccc(F)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939132 GHJUDHVMKIEUOO-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839964540 UXHKORAVTHZFPW-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033330 ANZJSZVEKKQFGZ-XNJGSVPQSA-N 449.346 -0.066 50 20 IBGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CCN1 1840227919 BUCXVPLPLXKHSO-DYVFJYSZSA-N 432.315 -0.246 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCCS(=O)(=O)N2CCCC2)n1 728733163 SPQZJTXBTMVNGD-UHFFFAOYSA-N 432.524 -0.110 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(NS(C)(=O)=O)c1 729816477 MUUXJUIFGRILLH-UHFFFAOYSA-N 440.507 -0.517 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2)CC1 745993029 TXVLOZZRUZOETC-UHFFFAOYSA-N 439.494 -0.774 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 758048781 WDIWZDHSKHTOPU-SKDRFNHKSA-N 447.311 -0.113 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3cccc(F)c3)no2)n(C)c1=O 766641600 AOUSORRQIJLFRW-UHFFFAOYSA-N 441.379 -0.311 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 778437972 IQNTWIDZTGLWMY-UHFFFAOYSA-N 442.494 -0.007 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccccc2)[nH]n1 914462789 XDLSYHQPJYQIHZ-KBPBESRZSA-N 431.474 -0.127 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1779296855 IILWBOXJFMBXOK-LJQANCHMSA-N 435.557 -0.020 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4nc[nH]c34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979795 ICFLBLOIABCSAP-ZVZYQTTQSA-N 449.276 -0.455 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788743958 MKIHPUUTWUPNOQ-QZWWFDLISA-N 439.557 -0.356 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798466554 MCVAMPOWDKBFSK-NEBZKDRISA-N 437.884 -0.212 50 20 IBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O)NC(=O)NCc1ccccc1 1804473652 HULAMZJRTUDQRH-BJWYYQGGSA-N 445.524 -0.361 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810304891 HBBYEXRPVGPHQY-AUUYWEPGSA-N 436.428 -0.512 50 20 IBGD O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)CN1 1812640425 FAAMAEQONZIOLG-UWVAXJGDSA-N 436.277 -0.783 50 20 IBGD Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929385 NGJMJOMJKMBMRM-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835929511 SEDGQTUAFBFYRX-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838640758 UTQIBBFOOIBHMM-SWLSCSKDSA-N 433.234 -0.470 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519143 XHSGIGQVQLJHIA-KXBFYZLASA-N 442.900 -0.011 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664777 NPXSTCZIKSBTRX-ZWKOTPCHSA-N 447.319 -0.064 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1840153446 OQWDCZPJGFIPER-VCBZYWHSSA-N 441.916 -0.013 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840446682 HZJDRXFMNZDAOZ-INIZCTEOSA-N 430.303 -0.090 50 20 IBGD O=C(COC(=O)CNC(=O)c1ccc(O)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 728344755 ZLDCVQICVBBNCP-INIZCTEOSA-N 429.385 -0.347 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 742041295 MMUZOEDPCVJFEL-LLVKDONJSA-N 437.478 -0.064 50 20 IBGD CCc1c(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)cnc2c1c(=O)n(C)c(=O)n2C 754238566 PRKXQDDBUPNWGG-UHFFFAOYSA-N 439.432 -0.377 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 755279158 MBHQOOSXHYJKSS-ZDUSSCGKSA-N 433.446 -0.263 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 755861943 JTFVVDRDIXSNGF-GFCCVEGCSA-N 427.483 -0.822 50 20 IBGD CCc1ccc(C(=O)NNc2ccc(C(N)=O)nn2)cc1S(=O)(=O)N1CCOCC1 757404549 SEFYDSWDRRDRNR-UHFFFAOYSA-N 434.478 -0.084 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(C#N)cc2Cl)n(C)c1=O 757726548 KATXHSPAWDFZEK-UHFFFAOYSA-N 430.812 -0.188 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccc(Cl)cc3)cn2)CCN1 763932321 MQIVJWZCOGNUKG-UHFFFAOYSA-N 430.852 0.000 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 771902872 NQJIFESNWFNFOO-LLVKDONJSA-N 430.483 -0.556 50 20 IBGD O=C(CCNC(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 788876557 YWAUUPHBZVJSAZ-VYDXJSESSA-N 438.506 -0.417 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 794599239 XACNWZCYIDJXGD-UHFFFAOYSA-N 431.434 -0.102 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nnc4n3CCC4)nc2)CC1 916235439 UVZFVCOEKQQCSU-UHFFFAOYSA-N 435.514 -0.618 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c1 1320417706 STORVMVEOLOLAD-AWEZNQCLSA-N 429.520 -0.087 50 20 IBGD CCOc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1 1780431296 XWUITAWTNXIDCE-FQEVSTJZSA-N 434.497 -0.308 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1783876866 XXBQMQHATJGIMT-CKFHNAJUSA-N 449.932 -0.044 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2n(n1)CCC2 1788413140 VVJPLKWUIQCZPJ-QSFXBCCZSA-N 438.293 -0.584 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446426 RTRRICUCWQEHRV-MPTYRVRUSA-N 431.375 -0.003 50 20 IBGD CCn1nc(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734472 IZTCLYSCFXJSJW-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccnc3c1)C2)c1cccc(B(O)O)c1 1795738970 KJAHLQDQVUFOGP-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797807893 FLOUVPDOKAAUDE-WLZFUECHSA-N 434.331 -0.600 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800975836 VGFPELGCWZDBJY-IQOUGMIPSA-N 446.913 -0.705 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cnnn1 1817474850 HROYUYFVWDFZSD-LRDDRELGSA-N 438.257 -0.357 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833613400 QLYAYWVABLDLSM-MRXNPFEDSA-N 440.928 -0.527 50 20 IBGD CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)C(=O)O 1835753474 CZQGKKCOXVJAHS-BLLLJJGKSA-N 436.303 -0.710 50 20 IBGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)c1csc(N2CCOCC2)n1 106028563 WMJHFBIGLYXNRY-UHFFFAOYSA-N 431.521 -0.219 50 20 IBGD CN1CCN(C(=O)c2ccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CC1 725871981 TWWUIVJFNLKPTM-UHFFFAOYSA-N 442.476 -0.072 50 20 IBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 728433890 GPMGBKNEEFSCNF-CYBMUJFWSA-N 431.540 -0.942 50 20 IBGD CCN(C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1)S(C)(=O)=O 731358104 DHRMLGLGDWJRJT-UHFFFAOYSA-N 436.498 -0.237 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 735511592 HLJUWAYHECHDLT-CYBMUJFWSA-N 448.509 -0.229 50 20 IBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCc2ccco2)s1 746167066 NGPFNKIUXYFDNO-UHFFFAOYSA-N 429.480 -0.214 50 20 IBGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756785351 SDRRDNVUYUQEHM-LLVKDONJSA-N 434.496 -0.801 50 20 IBGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C1 758056003 QWSYXGJPNGZPQV-CHWSQXEVSA-N 446.551 -0.194 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 765734981 GLTFCLWRXRJWOQ-UHFFFAOYSA-N 442.432 -0.638 50 20 IBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)C(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)C1 788408774 PRHOSXOJYAREAU-OKILXGFUSA-N 434.540 -0.095 50 20 IBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 793354337 UZXXYSGNDYUYCJ-GFCCVEGCSA-N 434.492 -0.246 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc[nH]1)C2 1779371001 FPQGCKWNRKZZSL-OXQOHEQNSA-N 427.465 -0.151 50 20 IBGD CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1781000801 ZVWLVOYVQVAQMS-QVKFZJNVSA-N 430.509 -0.530 50 20 IBGD CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781795978 WCNSTGZOTZFZOE-DYESRHJHSA-N 446.508 -0.661 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1788471322 UMSPVOBNGPLEJM-AYMQEEERSA-N 431.562 -0.118 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792868216 ULBHUOHLYFUGJZ-ZIEJDFEHSA-N 439.115 -0.399 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3[nH]1)C2)c1ccc(B(O)O)cc1 1795734384 NHAKNAVFHLZUHL-HGKCTWBKSA-N 434.261 -0.240 50 20 IBGD COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735071 LNKKZTYEUYVDQK-RMFSNUHRSA-N 449.272 -0.236 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2)c1cccc(B(O)O)c1 1795738989 LDUQDCUUFVIUCL-CWPLJXCYSA-N 438.293 -0.584 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2cccnn2c1 1800008298 VJJIOBVGDVQGHL-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803143146 VKOAACLZVKJCHL-IXYNUQLISA-N 428.873 -0.248 50 20 IBGD Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1804743273 FNDWALSKJSIYGM-QFBILLFUSA-N 434.265 -0.477 50 20 IBGD C[C@H](C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)n1cnnn1 1813073244 IGGIHBPTGVNYQA-ALKREAHSSA-N 443.512 -0.292 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737137 CYXDMQOOXQKVNR-QFBILLFUSA-N 428.917 -0.364 50 20 IBGD O=C(CCC(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935510 ICXXHNFJEIXKTA-SFHVURJKSA-N 444.215 -0.221 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837732174 SDOWSTTWPVVGFG-LPHOPBHVSA-N 445.589 -0.555 50 20 IBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1838022898 TXHNDWMVMKVCPF-AWEZNQCLSA-N 441.851 -0.041 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)n1ccnn1 1839711073 VJFOWXSZJHIHBL-LALPHHSUSA-N 434.266 -0.014 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840130843 XJTMNKKNCRPBPJ-LHSJRXKWSA-N 447.492 -0.630 50 20 IBGD Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183563 MDZBJHJEVLQVIX-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1840185041 FTMYUYIOEPXZLT-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3c(n1)OCCO3)C2 1844264264 ZPWZDNUMUFWDNR-UHFFFAOYSA-N 438.444 -0.018 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nc3ccc(F)cn3n1)C2 1844265005 JVGSLMBZUVHWFG-UHFFFAOYSA-N 438.423 -0.002 50 20 IBGD CCCn1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)c2ccccc2c1=O 728457359 GGVMWJIBYOFQDP-INIZCTEOSA-N 442.476 -0.305 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 731845310 XKEDIXFWCLERPM-KGLIPLIRSA-N 430.552 -0.190 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732244898 MBEOIUKJRJDSBZ-LBPRGKRZSA-N 447.539 -0.703 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CN(C)CCN2C)c1 732475171 WQZKFVCSVCBEQP-MRXNPFEDSA-N 440.570 -0.093 50 20 IBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)c1cc(Br)c[nH]1 750265671 DPKSLXUFCQNNLS-UHFFFAOYSA-N 435.260 -0.171 50 20 IBGD COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 761271171 JTGZVQLBRAWOMY-VIFPVBQESA-N 434.496 -0.709 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cnn(CCN2CCOCC2)c1 763575049 PPGIJDGHHNKTLH-QGZVFWFLSA-N 444.448 -0.859 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 764303850 PNAHSWMQWNVLJE-RYUDHWBXSA-N 428.467 -0.783 50 20 IBGD O=C(NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)C(=O)NC1CC1 782967009 QELULSGJNJSNFX-INIZCTEOSA-N 443.460 -0.781 50 20 IBGD C/C(=C/C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([N+](=O)[O-])cc1 784683775 IOFQKWAIUJWGPP-FLIBITNWSA-N 441.404 -0.407 50 20 IBGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 797368610 FKHNFPTVVSBIQN-UHFFFAOYSA-N 441.444 -0.013 50 20 IBGD Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 803863233 DCKAZIGKVWWYSE-UHFFFAOYSA-N 442.837 -0.487 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779030318 NXLILHXVFUXXTD-SFHVURJKSA-N 444.408 -0.926 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1782914099 FLRGYSYJKOKLNR-FQEVSTJZSA-N 430.266 -0.847 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784339476 UOYLTZZXHAIPIP-FBTHGLLTSA-N 442.480 -0.368 50 20 IBGD O=C(Cn1cc(Cl)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787002682 DWNUZYRHBINPMI-WBAXXEDZSA-N 446.700 -0.490 50 20 IBGD COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787720974 JZZRPOIXONDKST-WBAXXEDZSA-N 443.265 -0.592 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607777 GYJOVKVEOXBZPR-FZDIXFNVSA-N 444.536 -0.237 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21)C(Cl)Cl 1791294271 RYDQTPGOUDMHLU-AVGNSLFASA-N 442.365 -0.500 50 20 IBGD O=C(NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1 1794225030 VSPKAVLLRMAJPA-REPLKXPHSA-N 436.277 -0.557 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357827 NSVBPVLMMXAJQS-CHWFTXMASA-N 426.271 -0.438 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CC1 1799350015 PKPHZFIJFSKLLF-XRGAULLZSA-N 449.321 -0.569 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337164 HRSHNGCUYPKIKD-YYIAUSFCSA-N 440.497 -0.508 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1830538020 TXMJVMWJTFBLMS-GDZNZVCISA-N 432.315 -0.248 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830957568 CXFIERAHKZKEMH-VQIMIIECSA-N 428.917 -0.019 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1)[C@@H](O)CCl 1833305942 FSHGQWYYTOTLSS-INIZCTEOSA-N 440.928 -0.527 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563446 CMWPEIGOIWXYJF-BFUOFWGJSA-N 439.900 -0.286 50 20 IBGD O=C(Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834992870 VKGCCTINLJPOBH-QHCPKHFHSA-N 438.289 -0.321 50 20 IBGD O=C(Cc1ccccn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935492 HOZLSIOOBWTZJB-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839225138 YOPIFIFGFNEYBV-IIBYNOLFSA-N 447.297 -0.763 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C)CC2)C1 1843914527 VFCMVCKLNBISPK-XQNSMLJCSA-N 429.525 -0.429 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 17452759 TWMYQRXAIDWQIM-UHFFFAOYSA-N 438.491 -0.640 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 729276395 DPZHXOOQMQQRDV-MRVPVSSYSA-N 426.904 -0.711 50 20 IBGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NNC(=O)Cc3ccccn3)ncnc1-2 729624528 XVPQCPUTVOHICY-UHFFFAOYSA-N 448.285 -0.121 50 20 IBGD O=C(CO)NNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 753443208 VMLVJRFQIANYOW-UHFFFAOYSA-N 432.502 -0.054 50 20 IBGD CCS(=O)(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 759606550 QNOHFKAQGOTQDE-UHFFFAOYSA-N 431.946 -0.456 50 20 IBGD Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 764022666 YJEYQHQBBYCKTC-MLGOLLRUSA-N 431.401 -0.046 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1OC)CC2 764049207 WPRTUPNHBLQSIA-UHFFFAOYSA-N 432.458 -0.046 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc(C)c1C 764225991 DJXFKKVGKVBPCG-QMMMGPOBSA-N 434.496 -0.435 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)n(C)c1=O 770958106 IKWAQNCOBRJYFR-UHFFFAOYSA-N 442.440 -0.823 50 20 IBGD C[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCN1c1nccn2cnnc12 771208986 UBXAONUYGCKWRU-LBPRGKRZSA-N 427.425 -0.601 50 20 IBGD CCCN1C(=O)CC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1c1cncn1C 795081391 QKBBKNKSFSYESE-LALPHHSUSA-N 428.515 -0.805 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1318666759 WLPBEBIHZPKUNR-SNVBAGLBSA-N 425.435 -0.257 50 20 IBGD Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)n[nH]1 1780131311 FPLKLEXHDDXDFW-WIYYLYMNSA-N 426.282 -0.161 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978344 RTLLTLXTBWGPPL-SPRUADBXSA-N 425.873 -0.690 50 20 IBGD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1795258806 FZIZJPMBAYAQSR-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367975 PALZTONSLDNZLR-QFBILLFUSA-N 440.265 -0.563 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1[C@H]2COC[C@H]21 1813657728 WFISCYLHNHIMBA-URZNZNTCSA-N 435.289 -0.027 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2)c1cccc(B(O)O)c1 1815360363 GSVGMSDJJAPRKT-LBPRGKRZSA-N 439.262 -0.554 50 20 IBGD Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834037894 YFCAOYTVKVGWQW-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834475105 CAFDBJALTCIQOX-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C(Cn1ccccc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835998104 NVABRYGLASWWHZ-RDJZCZTQSA-N 446.273 -0.005 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835999251 GGIMNKRFIFZDLU-HNAYVOBHSA-N 427.885 -0.442 50 20 IBGD CC(C)[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836750877 XDUOUNOXOQHMJR-FQEVSTJZSA-N 432.326 -0.005 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837384890 KYVNAGFDUZTFHH-MEDUHNTESA-N 425.313 -0.046 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840155707 GWDKDYDXFOVXTO-VBQJREDUSA-N 438.930 -0.726 50 20 IBGD O=C([C@@H]1CC(c2ccccc2)=NN1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012175 MAFCRSJDVANPTJ-FQEVSTJZSA-N 432.289 -0.050 50 20 IBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)NC1CC1 10214125 VZTBMUQNKLOPOK-UHFFFAOYSA-N 430.433 -0.209 50 20 IBGD Cn1ccnc1[C@](O)(CCNC(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 725870931 DFDVXWZERMMARJ-OAHLLOKOSA-N 432.359 -0.087 50 20 IBGD CCn1nc(C(=O)NNC(=O)COCC(=O)NCc2cccnc2)c2ccccc2c1=O 727765310 UBSZOFKDCIXTEV-UHFFFAOYSA-N 438.444 -0.095 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 746941474 ANPJMOODQFBMEK-UHFFFAOYSA-N 425.401 -0.441 50 20 IBGD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764228535 XYGCLWIKEJQANO-MRVPVSSYSA-N 434.496 -0.489 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)C(C)(C)c2ccccc2)cn1 764314629 WUOVADDXKYDHHU-UHFFFAOYSA-N 430.465 -0.291 50 20 IBGD CSCCNC(=S)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 770240966 SGLVLLXAOILIIG-SNVBAGLBSA-N 431.565 -0.455 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c[nH]c(C#N)c3)CC2)cc1 778902226 HGHFYLFSQOBTIR-UHFFFAOYSA-N 430.490 -0.038 50 20 IBGD COCc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)CC2 793090296 CBCNWZRXYKDZAI-AWEZNQCLSA-N 431.453 -0.004 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)N(C)C)c(=O)n2Cc1ccccc1 804022831 BVWIAXMHTJLLKI-UHFFFAOYSA-N 443.464 -0.643 50 20 IBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 914459706 DFUFEIUWUKUEPW-OAHLLOKOSA-N 438.506 -0.273 50 20 IBGD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 915423504 RBFWCCREYXWWBO-UHFFFAOYSA-N 440.434 -0.442 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c2ccccc2c1=O 915636115 LXXCYEYAKSMVHB-UHFFFAOYSA-N 447.477 -0.550 50 20 IBGD CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 919684880 NRWVWSTXFZCFRU-UHFFFAOYSA-N 446.551 -0.050 50 20 IBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 920212573 QECJIVRDRHMXBK-ZDUSSCGKSA-N 432.524 -0.511 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028283 IAAAEOGLUKIRAN-FQEVSTJZSA-N 425.449 -0.459 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1783874309 GOGVRFDLDKDCKT-DJJJIMSYSA-N 439.900 -0.286 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640707 WIIABNUJYCTNCO-ZOFXXKQRSA-N 448.900 -0.285 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792534327 HVSWHADMJJKFBB-DGLSCOJTSA-N 446.508 -0.375 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737715 LVYAMZWMPOIHPX-OEYIWLLWSA-N 439.115 -0.399 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)n1 1796718072 VLVZUAOCOKFRMD-IQOUGMIPSA-N 428.829 -0.199 50 20 IBGD COCCOCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806757883 VZOGWMGOBJDVNL-WIYYLYMNSA-N 441.293 -0.256 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367168 QZMCDBYYHFIVJE-XLIONFOSSA-N 427.266 -0.910 50 20 IBGD O=C(COCCO)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808599939 HKBGLUBKKGGEMJ-PXNSSMCTSA-N 427.266 -0.910 50 20 IBGD O=C1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)N1 1815339820 QKFPEVUNISPLJN-TZMCWYRMSA-N 428.279 -0.673 50 20 IBGD Cc1noc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815354449 BTUGWZIWXMONRJ-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831498157 JZCROZBJVRRMBZ-HKUYNNGSSA-N 430.571 -0.230 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1835933618 DLNOXLKBMBXFGF-LAUBAEHRSA-N 448.350 -0.420 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934395 YHMJWOFMMQBSTM-IIBYNOLFSA-N 432.282 -0.973 50 20 IBGD O=C1NCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc21 1837147822 VQFOZCZONJCXRG-OXQOHEQNSA-N 437.880 -0.400 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1840187234 OPWAKEOCAOWLQG-QZTJIDSGSA-N 432.468 -0.139 50 20 IBGD O=C(C1=COCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840214798 WSFVKOUUGKRSKC-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728952392 WRMTUVVXMPGUOL-UHFFFAOYSA-N 437.453 -0.516 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 756155770 UVGTUBPXNFRDSB-SNVBAGLBSA-N 425.492 -0.243 50 20 IBGD CNC(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 757867123 RJCNBEDSWSLQOA-UHFFFAOYSA-N 449.493 -0.120 50 20 IBGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 760149997 SWUHBAAHBPXXAZ-CWTRNNRKSA-N 438.506 -0.421 50 20 IBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CCCC3)c2)CC1 764076152 BAMYBAXMXQCLID-UHFFFAOYSA-N 437.522 -0.101 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 764226381 HYOZXQBPAHAUGY-ZCFIWIBFSA-N 428.801 -0.035 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Br)ccc1F 764232954 UEAYINQJHNNQBA-LURJTMIESA-N 425.236 -0.388 50 20 IBGD COc1cncc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 790784003 JDULSDSHHCYNMB-UHFFFAOYSA-N 448.505 -0.439 50 20 IBGD COCCNS(=O)(=O)c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 916649881 VSXZEEZHDPTBFF-MRXNPFEDSA-N 434.540 -0.508 50 20 IBGD O=C(CNS(=O)(=O)c1ccccc1)N1CCN(S(=O)(=O)CBr)CC1 1329998281 FNDXZUGKFXMVMO-UHFFFAOYSA-N 440.341 -0.209 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1779034053 KNWKSMBHQKLOLD-GXZWQRSESA-N 431.493 -0.320 50 20 IBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccn1 1779557234 KWYKYLHDJFGGQG-OAQYLSRUSA-N 425.250 -0.473 50 20 IBGD CCOC(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)OCC 1786986424 AFKQYQCQYRWXEB-WDSOQIARSA-N 448.325 -0.251 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n[nH]1 1787168241 MRDMNRKWOVGUCT-FNHZYXHNSA-N 426.282 -0.441 50 20 IBGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1794930788 UAEDZRCCMGUDKO-CCWDJLKJSA-N 427.266 -0.005 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1 1795429029 NHFVOWMTLXFPRF-CCWDJLKJSA-N 430.509 -0.626 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739899 NVAPNBCOKICHFM-HGKCTWBKSA-N 430.266 -0.921 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nccc2nc[nH]c12 1796236006 SZCOXRCZZCZTMB-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD COc1nc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798245373 VKKYIQYASIQPBE-HGKCTWBKSA-N 439.277 -0.405 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1798638980 NTFGDEQZUQCVAN-DGLSCOJTSA-N 446.508 -0.090 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800580535 VPQCOYYFCNQDLA-IARIHHJXSA-N 426.341 -0.901 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cncn1 1813399756 GMTYHEVSHWOKHH-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476955 IYQPJGIDEWMKLV-SJCJKPOMSA-N 427.270 -0.080 50 20 IBGD O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921764 YVUMMMQFLIGFLR-UHFFFAOYSA-N 428.250 -0.933 50 20 IBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1838022900 TXHNDWMVMKVCPF-CQSZACIVSA-N 441.851 -0.041 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839782825 KIYLPZFBRVYLDS-YJBOKZPZSA-N 448.614 -0.129 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840151953 SGKVLIZRJVFOQH-XLIONFOSSA-N 446.976 -0.666 50 20 IBGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 733335826 DLTJWUXOVXIHDY-NSHDSACASA-N 432.528 -0.652 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2cnn(C)c2)cc1 735522330 OIFOONKPEZAWND-UHFFFAOYSA-N 436.494 -0.358 50 20 IBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621148 SCVHTWXGFMVENH-HNNXBMFYSA-N 446.551 -0.035 50 20 IBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)o1 746296866 MMLQXYDFLIWVAY-UHFFFAOYSA-N 432.361 -0.524 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 764227718 QTMIPSSFJGYLRD-VIFPVBQESA-N 428.858 -0.451 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 764516853 VSCKPTMBZAYBFZ-QGZVFWFLSA-N 440.460 -0.107 50 20 IBGD O=C(NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)c1ccc(-n2cnnn2)cc1 894395150 YUPIIABNJWURKL-UHFFFAOYSA-N 433.388 -0.118 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782707007 DAJBVYLONLGEPX-ZUOKHONESA-N 449.464 -0.310 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783932913 KGSKZECWAAAEKX-GCKMJXCFSA-N 438.525 -0.221 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCOCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984616 WAHPAGMPPVMWEU-IHPCNDPISA-N 430.310 -0.224 50 20 IBGD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c2c1CCC2 1795734411 OGZAGPHDSRKPDD-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD COc1ccccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800627872 VICHKTQMEXWJTI-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800759683 ZXMGRNPNILJWDH-NJBDSQKTSA-N 440.298 -0.328 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]1(F)Cl 1801089883 PHEYGIRFYNTALQ-IDNLARJOSA-N 425.848 -0.187 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801373414 UCEKNBAHKPXTAF-ZXFNITATSA-N 441.492 -0.579 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1813072042 ZIOMSXHIKWCZIT-UZLBHIALSA-N 428.497 -0.248 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1830534593 CDPOUOLVGQYDQN-BLLLJJGKSA-N 430.303 -0.084 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449686 OGYJVHYFJMSASV-LPHOPBHVSA-N 433.933 -0.581 50 20 IBGD COCCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736999 QAYNCPAFRZIURJ-UHFFFAOYSA-N 432.525 -0.093 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835765574 WVPQMTWNPJZIGS-XLIONFOSSA-N 446.976 -0.538 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1835935614 VRICMLJWMSPXMJ-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508029 HGEHBRNEQZIGIY-BZNIZROVSA-N 431.833 -0.358 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)C3CC(O)C3)CC2)CC1 1836682060 DUVSSANNLLDPPG-UHFFFAOYSA-N 430.310 -0.251 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837118448 YEIQPQHWPPJWFH-GJZGRUSLSA-N 444.916 -0.163 50 20 IBGD COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456658 PHAVXLHGCVHTHS-VBKZILBWSA-N 435.481 -0.962 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839047219 DZGYMXLGLNXTII-BEFAXECRSA-N 437.884 -0.672 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839149515 JKDSNSDBSNWPAE-KUHUBIRLSA-N 442.900 -0.269 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839151874 GOBQMOPINKBNPM-OAUYIBNBSA-N 439.340 -0.728 50 20 IBGD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)C2)C1 1840021444 GALIQNIVDLNDGE-TYILLQQXSA-N 449.932 -0.044 50 20 IBGD CC1(C)CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1840223495 CCMPNHGFMOXRNW-JOCHJYFZSA-N 430.310 -0.127 50 20 IBGD Cn1ccnc1[C@@](O)(CCNC(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 725870928 DFDVXWZERMMARJ-HNNXBMFYSA-N 432.359 -0.087 50 20 IBGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)C1CCN(c2ncccn2)CC1 728980769 GATXLWIBJFJCNJ-UHFFFAOYSA-N 426.433 -0.001 50 20 IBGD O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)NNC(=O)[C@@H]1COc2ccccc2O1 732339914 LTVAHQWXGVBQNL-HNNXBMFYSA-N 425.353 -0.286 50 20 IBGD Cc1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nc2c1c(=O)n(C)c(=O)n2C 737502930 KEUGWBJAIVDPDJ-UHFFFAOYSA-N 445.457 -0.581 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 743294287 VAPMWYGOIQGMCL-GFCCVEGCSA-N 438.510 -0.028 50 20 IBGD COc1cc(F)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 756459680 WPKHSABIAANLBV-UHFFFAOYSA-N 449.399 -0.557 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cnc(-c3ccccc3)nc2)n(C)c1=O 765312989 NHKVEFAABUFJKK-UHFFFAOYSA-N 449.431 -0.256 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc2c(cc1[N+](=O)[O-])OCO2 814784757 ITVNTEKFHSDCNX-UHFFFAOYSA-N 436.406 -0.252 50 20 IBGD Cn1cc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779031189 NHXGTQMEWJMWLS-NRFANRHFSA-N 441.492 -0.505 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331659 OLHMOODIHJQBJB-LRDDRELGSA-N 444.261 -0.181 50 20 IBGD NC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1784927264 UQKSXGWOVYUEOG-QFIPXVFZSA-N 437.261 -0.777 50 20 IBGD CN1CCC(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786978752 QJICBOJDWXNOQA-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979619 DQBMICCDSTXTGY-SNRMKQJTSA-N 449.276 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786984651 UOYBBQWBSPCDIY-SNRMKQJTSA-N 426.282 -0.684 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCOC3)[C@H]2C1 1792212456 PJQGVKZDKLHHJJ-USJZOSNVSA-N 431.493 -0.295 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CCCCO1)C2 1797748443 AYJOXSAVUCHXRX-YGTYGHESSA-N 431.493 -0.153 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1c(F)cncc1F 1798239832 ODSLSFCFLHAABU-IVWMJMPLSA-N 431.204 -0.443 50 20 IBGD O=C(COCCO)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808600080 JVAUMPRVDREGKG-YLJYHZDGSA-N 427.266 -0.910 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880249 HVAPIGUEFUNTJE-LIRRHRJNSA-N 436.428 -0.512 50 20 IBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722409 BAMAKPCGVCBIKL-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1830737076 CSAUVXJFPXRDGA-URKNILKWSA-N 426.901 -0.429 50 20 IBGD Cn1ccc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)n1 1834801214 ULDAFZWLLYUGFE-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834870105 SXFYEHBNTNSMRI-HXUWFJFHSA-N 433.465 -0.876 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1837715855 NHJPIJXQDWEICZ-IBGZPJMESA-N 438.557 -0.449 50 20 IBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1[N+](=O)[O-] 16786237 CCDKWYCEDIPLEM-NSHDSACASA-N 435.418 -0.355 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 744653598 YWQGFGMQKDUUIU-GXTWGEPZSA-N 439.446 -0.814 50 20 IBGD CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)c1C 764432590 IJOZPHUGVFMOFL-INIZCTEOSA-N 445.432 -0.141 50 20 IBGD CN(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1 772896649 ASYBOOFSRPVYPU-UHFFFAOYSA-N 439.881 -0.181 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c1 793023072 GZORBFOBVILZAI-UHFFFAOYSA-N 441.444 -0.283 50 20 IBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 815566255 NGSZLASBBPBJNV-NSHDSACASA-N 431.405 -0.037 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779674824 YPQRAQBRVISLRM-CIPMJJFUSA-N 430.421 -0.042 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210428 RWOWUVDUONSJDO-WHSLLNHNSA-N 439.557 -0.212 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788654455 GBLFEGLFVGHGGW-PYXYIPKBSA-N 434.331 -0.600 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(=O)nc2sccn12 1789135525 QBCHLNGGGRZBHI-VTPLQMEGSA-N 440.909 -0.051 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793117637 UIIGTBUZNRSOML-NDKCEZKHSA-N 446.932 -0.007 50 20 IBGD N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1 1795677507 CMWJOOBNDONXFT-SHJAMOMRSA-N 438.293 -0.945 50 20 IBGD Cc1nc(N)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734463 ILZPNRVIPUIMTA-AGGWBTHJSA-N 430.295 -0.769 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797784722 HEBAWLBYQFTVNT-FQLMCAECSA-N 449.298 -0.144 50 20 IBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825237485 FEFZLTMHBMNISH-CQSZACIVSA-N 430.295 -0.425 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826627458 LNOMYCWSULJIQV-SFHVURJKSA-N 436.339 -0.356 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)on1 1834222305 VJKHLYNHYURCFO-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1834347129 POLKMSYCVFOQSQ-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cnn1C 1834428490 JKYCTLLIWMNOSJ-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD O=C(c1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929139 BOEDXYFCHOJXHA-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153696 YQHOUOZZTKMKJT-OAHLLOKOSA-N 448.911 -0.017 50 20 IBGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 728384766 LIERFQAWNDEGIT-FTLABTOESA-N 428.511 -0.295 50 20 IBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 731957227 GERFQXLKGGMWDJ-MSOLQXFVSA-N 432.477 -0.313 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755138739 KBYJWNNMCXERJZ-UOVKNHIHSA-N 431.474 -0.385 50 20 IBGD CCCCCc1nnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 755427939 IVFLSHYXOABMSI-UHFFFAOYSA-N 449.497 -0.129 50 20 IBGD Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758046257 GOSDPKHPFFMPMQ-SNVBAGLBSA-N 442.523 -0.472 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccccc1O 763525695 DYTQCMRMTPEOEZ-UHFFFAOYSA-N 432.458 -0.007 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)O[C@H](C)C2 763996108 BSGSFKQWZZKHNB-GHMZBOCLSA-N 425.463 -0.071 50 20 IBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 764162631 DKCXSRDMHMDOSO-INIZCTEOSA-N 437.412 -0.172 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 764425007 MCFWCUKXIFVJMN-GFCCVEGCSA-N 428.327 -0.213 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 765322204 HTUNLUMTSYWDBD-STQMWFEESA-N 446.526 -0.526 50 20 IBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766652617 OHVOKTJOZFLFJZ-UHFFFAOYSA-N 437.522 -0.983 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)nc21 770366138 GEVSKIYVASLBRR-UHFFFAOYSA-N 440.468 -0.171 50 20 IBGD CN(C)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784005124 PTFJSNRUWGBBRI-UHFFFAOYSA-N 447.473 -0.269 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 785661695 URZCDSBCDOTMGV-KRWDZBQOSA-N 443.460 -0.957 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514534 GAFOWCPUMIVUCH-BBATYDOGSA-N 427.479 -0.070 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)c1 915059914 GABDNARZYMIDGP-UHFFFAOYSA-N 429.462 -0.084 50 20 IBGD COC(=O)C(=O)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1116198778 YSESQMOODLFRIW-UHFFFAOYSA-N 436.899 -0.149 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1778787573 NVUXCLOQDYPVKA-RBZYPMLTSA-N 426.239 -0.429 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782791762 WQKOQQYXXPXFDR-BTVXTAIASA-N 427.465 -0.084 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1791055117 JSWHMTYVVWIJCU-BJDJZHNGSA-N 431.287 -0.699 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](N)c3cccnc3)C[C@@H]21 1791289040 DPUUVAJTELBXNK-VJANTYMQSA-N 446.552 -0.176 50 20 IBGD Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793882350 AFFMTEOHNWBVJL-HBCWATKFSA-N 442.476 -0.264 50 20 IBGD CC(C)n1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734247 LBXHELQZLYBKRO-HGKCTWBKSA-N 426.282 -0.339 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H]2SC=C[C@H]21 1800250039 DCYPBNAITUGKFA-KDXMCXIDSA-N 429.502 -0.237 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800756078 FTOWEGMOHALBCF-MPTYRVRUSA-N 431.375 -0.003 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1801011611 RWCMPTJDDDUFGM-ZSBFGKGUSA-N 429.481 -0.695 50 20 IBGD O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)N1 1806814030 MDUJCOUDLMBFCU-POAQFYNOSA-N 436.277 -0.640 50 20 IBGD O=C1C[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CN1 1815348355 KYTQNMHWWQPPSE-YPMHNXCESA-N 428.279 -0.815 50 20 IBGD O=C(CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)N1CCCC1 1832419670 NNDKSAJKIVZLQI-HNAYVOBHSA-N 431.917 -0.555 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)CCNCC3)C1 1845797834 AZIBZODXBYQQIF-UHFFFAOYSA-N 428.537 -0.040 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(I)c1 739668366 LSEWHJKFHRDJAQ-ZETCQYMHSA-N 447.276 -0.462 50 20 IBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)CBr)CC1 758523329 OQEWWWICYBDPAI-UHFFFAOYSA-N 437.316 -0.323 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCc2c[nH]nc2C1 758905237 BNVSFUVVYLEYPY-OAHLLOKOSA-N 448.505 -0.068 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 779622957 UGWHPLSIRULVBL-QGZVFWFLSA-N 435.506 -0.554 50 20 IBGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 807609106 JNCUZJQEYRKJCG-ZDUSSCGKSA-N 432.462 -0.186 50 20 IBGD O=C(NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 814211004 YFLLYBDDKVATJA-GFCCVEGCSA-N 443.503 -0.552 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)n1 1779232543 FFTBQAJJGRGPOJ-KUHUBIRLSA-N 426.901 -0.284 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785149720 PTZLMIMBCYNREM-SJHCENCUSA-N 445.314 -0.405 50 20 IBGD Cc1nnsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796593489 GRLGVODCIJTVDN-GNXNZQSNSA-N 431.478 -0.638 50 20 IBGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)nn1C 1798440048 WMBWLTQREYLTBH-CLLJXQQHSA-N 427.465 -0.007 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1801011925 VAXFZUGVNNACSY-HBCWATKFSA-N 429.481 -0.695 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CCC(N)=O)[C@H]1c1cccnc1 1810305033 IOXPQGJBWONDLM-LIRRHRJNSA-N 439.476 -0.335 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cnc(O)[nH]1 1810949267 WGYOCLVRNXLUBK-MAUKXSAKSA-N 435.249 -0.177 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473973 IYBAVJNWGCWTCU-MRXNPFEDSA-N 448.310 -0.170 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817475775 STWSJEJOAVTLLC-XJKSGUPXSA-N 425.254 -0.469 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1821958008 PCHFFNIMXUGUKD-CZUORRHYSA-N 425.254 -0.469 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1833764339 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DBDQUYIRIMXNED-UHFFFAOYSA-N 432.462 -0.175 50 20 IBGD O=C(CCCc1ccccc1)NNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 764224434 QAHUGLYUEXNASL-UHFFFAOYSA-N 442.476 -0.149 50 20 IBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)[C@H](C)OCCOC)CC2 764400363 PKWRVEQJRGLECZ-LBPRGKRZSA-N 442.494 -0.927 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 765310417 FYHPHQKUWMLTEE-UHFFFAOYSA-N 427.483 -0.064 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nnn(C)c3C)CC2)cc1 766636495 PBZWUOCUGGABFL-UHFFFAOYSA-N 435.510 -0.801 50 20 IBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 782883542 ARRFDKSBZRXQES-UHFFFAOYSA-N 426.437 -0.234 50 20 IBGD Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004308 FPPBUBCGMWATEZ-UHFFFAOYSA-N 446.489 -0.196 50 20 IBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 802418014 AOHWAXDNFUDZRI-UHFFFAOYSA-N 438.554 -0.391 50 20 IBGD COCCCNC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 920862731 ZYLWJNULEVMKQM-CYBMUJFWSA-N 440.478 -0.009 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594412 ZXJMPWROKVWVTQ-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CC[S@@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032218 LQZUVGSXYKAORS-WWOZWPLTSA-N 437.522 -0.713 50 20 IBGD CN1CCC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1780572359 LHQJJQRBBFLBMS-JXHRLWIKSA-N 443.353 -0.164 50 20 IBGD COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787723812 SUUWBLMMWMQRCU-BPUTZDHNSA-N 437.497 -0.213 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnn2ccccc12 1787852783 VEYQEQNTBSHPQD-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1791288605 LKTUWYFGDJJVRH-ZOBUZTSGSA-N 433.509 -0.648 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792871238 RYAYDVKMQXBBEF-DJIJKHNZSA-N 434.331 -0.242 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cnccc13)C2)c1ccc(B(O)O)cc1 1795734587 TYTWIOPZYSHKAG-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(F)(F)F 1797748687 UGPQNOOEMGKUAS-ZYYNGRNUSA-N 445.398 -0.798 50 20 IBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1CCN(C)CC1 1799965940 OKJUKOLQUOKWMA-GEALJGNFSA-N 428.342 -0.746 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1803340526 JXWNSVWBLJCLNA-OXJNMPFZSA-N 446.508 -0.087 50 20 IBGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814321700 IZXNUXBMLRYYSU-LBPRGKRZSA-N 437.308 -0.907 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)N1 1817087188 VFKCQBOICXEKBT-GDBMZVCRSA-N 425.254 -0.326 50 20 IBGD CN[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1826940155 DXTGMTNNNWUJPW-RTBURBONSA-N 445.325 -0.338 50 20 IBGD O=C1C[C@@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827060474 KYRWEAGEJRUKTL-IEBWSBKVSA-N 427.310 -0.264 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831328743 IXLBPGUOLOVUQL-IAQYHMDHSA-N 446.353 -0.426 50 20 IBGD Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)c1 1834800976 FPGUXBCINPVPGP-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1835202925 SBUPACQDQZVHNE-NRFANRHFSA-N 433.509 -0.191 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1 1835734427 GXDOREDNAPJQJC-UHFFFAOYSA-N 444.536 -0.359 50 20 IBGD CN(C)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737102 WHALWTLIZXKCKJ-UHFFFAOYSA-N 445.568 -0.178 50 20 IBGD O=C(CCc1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935213 HWVDWDRFSZVBSE-JOCHJYFZSA-N 442.277 -0.338 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 734239233 JFAJNNGWBBXELV-UHFFFAOYSA-N 440.482 -0.420 50 20 IBGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c2ccccc2c1=O 735583747 DATOKERUUDQTKX-HNNXBMFYSA-N 438.448 -0.101 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc2c(cc1Br)NC(=O)CO2 758045060 BFERSTWGMHLZMG-ZCFIWIBFSA-N 435.256 -0.521 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 758726762 SMIOHGUYVYBSML-UHFFFAOYSA-N 435.485 -0.097 50 20 IBGD CN(C)C(=O)Cn1cc(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 758787649 USYCLUSLEDMADR-UHFFFAOYSA-N 438.489 -0.384 50 20 IBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1 763152718 IMDSNUQVLBVLPT-UHFFFAOYSA-N 425.467 -0.198 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C(C)C 763833190 XRBNQUQFRNETQQ-UHFFFAOYSA-N 442.494 -0.152 50 20 IBGD COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764230388 HTGGDPMSENWEAZ-MRVPVSSYSA-N 448.523 -0.144 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CCN2CCCCC2)cc1 764233353 VJQJRZNXTRQZKD-CQSZACIVSA-N 439.538 -0.261 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(C#N)c1)CC2 764241855 MHJPKIIWMKOVEB-UHFFFAOYSA-N 427.442 -0.183 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)n3cncn3)CC2)cc1 766636551 PYMFFRZBKLWWGV-OAHLLOKOSA-N 435.510 -0.699 50 20 IBGD Cn1nc(SCC(=O)NN=C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(=O)n(C)c1=O 792957185 CSNCCAHUYYAYNK-VOJFVSQTSA-N 438.510 -0.070 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 915141103 CJTUEALINVSNID-ZIAGYGMSSA-N 429.520 -0.331 50 20 IBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 916516964 QMJPGNZJLXCWHA-UHFFFAOYSA-N 445.568 -0.261 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@H]1SC(=N)NC1=O 1778076867 FBWNWWFYONPLFQ-KAJKLZAHSA-N 446.957 -0.098 50 20 IBGD O=C(CC12CCCN1CCC2)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781133573 RIIDYJWIMPGAKZ-HSZRJFAPSA-N 441.337 -0.172 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CC(=O)C2)C1 1783147588 VPPVJHMIAKUQCT-DYESRHJHSA-N 429.477 -0.208 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C1(O)CCC1 1786978579 ADHNWJIGCUWLFR-XIVBQZFQSA-N 430.310 -0.489 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786986640 SQBIXCNIFWVNLD-SZMVWBNQSA-N 426.282 -0.684 50 20 IBGD O=C(Cc1ccc(F)cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787032562 MXTNNKBTXLDANA-YSSFQJQWSA-N 441.268 -0.264 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n(C)n1 1788944239 KOIXRKUEMRKRQD-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115591 BAKNDGKSSHPZRX-HLPPOEQASA-N 449.298 -0.144 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367197 JUYWGZKBUSPNAR-BVJIBDCISA-N 435.289 -0.027 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813072723 DTLUKKSMNFHXQI-BEFAXECRSA-N 434.497 -0.184 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1822414277 QFPUISLTQREPGP-JSGCOSHPSA-N 436.517 -0.632 50 20 IBGD COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1F 1830726121 VIUQOTPCTYWDRF-RDTXWAMCSA-N 431.848 -0.101 50 20 IBGD Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cnn2c1 1830731292 KISARSGNIKHKEK-HNAYVOBHSA-N 437.884 -0.293 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(C)(C)C 1831081972 AGAQIUPQHSXGOU-CLCXKQKWSA-N 433.933 -0.407 50 20 IBGD CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)COC1 1834800574 ONSJBFXICBIBDO-UHFFFAOYSA-N 429.326 -0.412 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1837456844 OGXYUQBOKDOUIH-IBGZPJMESA-N 446.489 -0.475 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837525726 OODKWUSIKMEDON-RVEATIDJSA-N 433.889 -0.429 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1839141814 UMJQBOOEFGRWFY-KEYYUXOJSA-N 439.962 -0.212 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)n(C)c1=O 1841984658 YNSAFGZAWJOWMC-LBPRGKRZSA-N 426.836 -0.829 50 20 IBGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 733108384 PAWPDLTWXSMKNI-HNNXBMFYSA-N 444.473 -0.201 50 20 IBGD Cn1cc(Br)cc1C(=O)NNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 746231764 LOOUSXDFNFNFRO-UHFFFAOYSA-N 438.242 -0.143 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1C 748048931 AASPQVPTYWXSSY-UHFFFAOYSA-N 438.444 -0.043 50 20 IBGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CN1CCN(S(C)(=O)=O)CC1 748594821 YZVYIGOUCCFCOU-UHFFFAOYSA-N 447.583 -0.216 50 20 IBGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 763530837 ISANNELRTXJFNS-UHFFFAOYSA-N 439.476 -0.521 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 764317447 KXEVXZZLTGTAHT-UHFFFAOYSA-N 442.494 -0.008 50 20 IBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 764428056 BKYOCWSOEOKISC-UHFFFAOYSA-N 426.477 -0.476 50 20 IBGD CCOc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 778902789 MSEABMPOJVBHKL-UHFFFAOYSA-N 434.840 -0.053 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 787886418 OBGJQVJHRKNNFG-QWRGUYRKSA-N 444.514 -0.167 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cnc2n(C)c1=O 794069019 FAAUIGUKFHJYQF-UHFFFAOYSA-N 440.416 -0.680 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cncnc3)CC2)cc1 794393483 SBYYKYXLLLNSIS-UHFFFAOYSA-N 446.533 -0.128 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Br)c1 794586664 ABNQIWBPQMZIBL-ZETCQYMHSA-N 430.302 -0.295 50 20 IBGD Cc1ccc(C(=O)NNC(=O)Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)cc1 913076758 ZKXUMKASNNUFJY-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 1116075857 GZEQBEPCMXUVAO-MRXNPFEDSA-N 439.538 -0.559 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1779031301 QZNYCCIPVURVAS-GOSISDBHSA-N 431.478 -0.519 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1783343280 MNPRYJCOANFRJQ-LYOVBCGYSA-N 431.287 -0.412 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1783935614 WMZNARYQOQQXGE-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1788611432 BHAVIBKVRUBWQW-KKXDTOCCSA-N 441.492 -0.366 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291144 NKCICXIYPRPFJT-QZWWFDLISA-N 439.557 -0.356 50 20 IBGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cnc2s1 1792980905 APWRBMUMBHUJKP-ZMJPVWNMSA-N 440.909 -0.133 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccc3[nH]1)C2)c1ccc(B(O)O)cc1 1795735952 LGYZVCMLZNWYQX-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(F)c1)C2 1797748736 YWVKCSRAYZHMRK-FVCICTRLSA-N 428.424 -0.264 50 20 IBGD Cc1ncc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1801331142 IITHLMNEBDUUDO-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD CN(C)C(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1814561245 MZCBDMNDNIGBOB-MRXNPFEDSA-N 442.285 -0.333 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738075 LRXQTTIONIGIHQ-LIRRHRJNSA-N 449.932 -0.043 50 20 IBGD COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831627902 GHUUIGARXGHTRD-VLIAUNLRSA-N 435.481 -0.962 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)o1 1834090573 PLWKACDCPCMEGE-JOCHJYFZSA-N 442.277 -0.040 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)C(=O)O 1835763013 UCYVADJPUNCWMC-HCKVZZMMSA-N 440.266 -0.804 50 20 IBGD O=C(c1c(O)cc(O)cc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839371612 GURGGXNDFHIXTF-KBXCAEBGSA-N 430.841 -0.527 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840150857 RZJVGYXOBMDDAJ-FZKQIMNGSA-N 430.889 -0.695 50 20 IBGD CC1(C)CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1840223613 GMOORDXLSWRJNS-QFIPXVFZSA-N 430.310 -0.127 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840580423 JAMGEOQDDMZGCB-BEFAXECRSA-N 428.555 -0.289 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 756206810 ODNWTIHLWFDKHV-FZMZJTMJSA-N 426.499 -0.773 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C 758039299 JGXIZDNPHNQEAD-JTQLQIEISA-N 436.437 -0.670 50 20 IBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 763867181 SLLDNQWWBIPFGK-GFCCVEGCSA-N 444.423 -0.290 50 20 IBGD CN(C)CC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771566628 PHJJSVJSABCPSB-INIZCTEOSA-N 426.271 -0.075 50 20 IBGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885382 LFZRALQPWLUGED-KBPBESRZSA-N 425.446 -0.578 50 20 IBGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)CN1CCCC1=O 920827453 YVCPBGDVNGPWHC-UHFFFAOYSA-N 447.311 -0.113 50 20 IBGD CC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968605 CDSXPYXNQIICFL-OAQYLSRUSA-N 431.493 -0.249 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783876329 OJGXRCYBMDNIQV-SGTLLEGYSA-N 425.873 -0.676 50 20 IBGD C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982676 CRLQSRVHTMAYSC-IHPCNDPISA-N 430.310 -0.058 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1ccnc1 1788607784 HEMWUVAMVZVDRO-USJZOSNVSA-N 441.492 -0.264 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2)[C@@H](O)CCl 1792975224 MNHZASAWOUSYCW-FEZYCPBGSA-N 427.929 -0.033 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797792552 COHUWCSOBJUFQB-NPJQDHAYSA-N 434.873 -0.675 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367207 JUYWGZKBUSPNAR-URZNZNTCSA-N 435.289 -0.027 50 20 IBGD CN1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)C1 1819801765 SIIQADZGMPSYHD-NSHDSACASA-N 429.506 -0.071 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc(O)nc1O)CC2 1826086316 RMBWZYWBHPVUKK-VIFPVBQESA-N 449.493 -0.057 50 20 IBGD O=C(Cn1cncn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054763 JIZBUTBSKGYFIL-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccs1)CCO2 1833933810 MPNCCPDRSVFLLL-FQEVSTJZSA-N 430.291 -0.188 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c(C)o1 1834090574 PLWKACDCPCMEGE-QFIPXVFZSA-N 442.277 -0.040 50 20 IBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1834821391 HMSWZHYCRPMCNK-MRXNPFEDSA-N 445.270 -0.257 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835541081 PXNJLUJTHPUUDP-IUODEOHRSA-N 427.822 -0.815 50 20 IBGD O=C(CSc1ncccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836110045 XDGICDBKHMSNQA-CXAGYDPISA-N 430.914 -0.375 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838854134 CJDSEONJTAKMDN-JOCHJYFZSA-N 442.252 -0.111 50 20 IBGD O=C1CCc2ccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)nc2N1 1843232241 HYIZVCYZIODMRF-UHFFFAOYSA-N 434.261 -0.223 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)nc1 728851708 UQOJZANTJVBGBN-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD C[C@@H]1COCCN1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 729613474 CPLCHKNHQRCJGC-OAHLLOKOSA-N 441.558 -0.636 50 20 IBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 732263085 ZXGFEPJBSQIBBD-GASCZTMLSA-N 442.538 -0.128 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(C(N)=O)nc2)cc1 753941487 SYCYMUABKAVJCK-UHFFFAOYSA-N 434.478 -0.360 50 20 IBGD C#CCNS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(C)c(CC)s2)CC1 761037213 NGMZASWROSEIBT-UHFFFAOYSA-N 427.552 -0.535 50 20 IBGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763577145 HDORRPHFWMAYQV-INIZCTEOSA-N 428.401 -0.133 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 764343823 SMCDZJSSRKKRKF-OAHLLOKOSA-N 439.428 -0.008 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 772152916 CTDUQJLLDZSIAK-VIFPVBQESA-N 434.496 -0.848 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1C 817216184 OBAMYUOCHQKBGY-HUUCEWRRSA-N 426.495 -0.458 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 871631839 LYPIXUPRWSUMLF-AWEZNQCLSA-N 436.490 -0.059 50 20 IBGD CNCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373145 GIBJAHWUDSLJDN-DYESRHJHSA-N 432.525 -0.188 50 20 IBGD O=C(CN1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786712284 YDYAWLWTRGGTLR-IHPCNDPISA-N 429.326 -0.554 50 20 IBGD COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983550 XFPUZFFCXGUCAU-WBAXXEDZSA-N 443.265 -0.592 50 20 IBGD O=C(COCc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795423572 YURGJKPQIAKPIK-HATOLVCRSA-N 438.289 -0.214 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797930355 OUFIYQOZPVXJAD-BKEDOTJMSA-N 425.530 -0.746 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@H]1CCCS1(=O)=O 1800392277 RGQJNDCOCOJNTB-IYKVGLELSA-N 427.292 -0.156 50 20 IBGD Cc1cnn([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1801338377 JXHYGGVTRAGPQZ-ZXFNITATSA-N 441.492 -0.346 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1802337957 FWXJZKIBFWOUEJ-QDMKHBRRSA-N 448.480 -0.232 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@H](O)CCl 1803139125 SZMFMILQSQAKRC-CGTJXYLNSA-N 431.685 -0.319 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccc(O)nn1 1805267902 MWCNHIFEVLGBQT-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD CS(=O)(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822967831 MFECXJYUARZOGE-MRXNPFEDSA-N 448.310 -0.170 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834685355 YEDRQVSAFZEDNQ-KKSFZXQISA-N 444.385 -0.075 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835443583 CXEQNITYMFGTCK-MOBUCQHHSA-N 429.326 -0.678 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642986 VVUDJYQPYCUEHS-ZBEGNZNMSA-N 429.271 -0.377 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839956215 IRWLVFSTXQZEQE-SQGPQFPESA-N 426.897 -0.354 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1841172129 SZBNLHLKXSILDM-UHFFFAOYSA-N 442.302 -0.099 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 729275554 PSSWFJQKORPMJX-STQMWFEESA-N 446.551 -0.052 50 20 IBGD O=C(CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NNC(=O)c1cccc(Cl)c1 734839145 XGLAECKFEDULHY-LSDHHAIUSA-N 430.914 -0.812 50 20 IBGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 735659944 VRUMMRVBQYCCDV-UHFFFAOYSA-N 442.517 -0.251 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 745589168 JSMXDLYXGFGOJX-UHFFFAOYSA-N 433.442 -0.128 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1 747700284 KTPHXTUUPVNDHV-UHFFFAOYSA-N 437.526 -0.210 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)cc1 763735744 LQXGEDBYIRSAKQ-UHFFFAOYSA-N 449.489 -0.591 50 20 IBGD COc1ccc(S[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765728375 OJBLRUYXTQZUQA-NSHDSACASA-N 446.489 -0.230 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 772038849 VLKYNSSSUCBDSB-JTQLQIEISA-N 427.435 -0.420 50 20 IBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 772968880 IFJUWLPLGGMYLA-VIFPVBQESA-N 444.853 -0.075 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 779622953 UGWHPLSIRULVBL-KRWDZBQOSA-N 435.506 -0.554 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 916391988 PKCUONXPYQFQMT-UHFFFAOYSA-N 427.465 -0.397 50 20 IBGD O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779104327 ITHSJVFJTDPUBJ-QNZROTIXSA-N 445.281 -0.661 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781332374 XSGBYAVWFRCMGB-SMDDNHRTSA-N 425.324 -0.009 50 20 IBGD CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786982746 AGSOXXHVRRRTFX-SZMVWBNQSA-N 441.297 -0.554 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1788610148 GLIKULHQJPZOPO-JQFCIGGWSA-N 427.465 -0.825 50 20 IBGD O=C(Cc1cnc2ccccn12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792930088 UTOLBJACFGJHOI-FAQVEIGNSA-N 448.288 -0.540 50 20 IBGD O=C1C[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)CN1 1827053732 YZOFIFDZAKVGPX-PKOBYXMFSA-N 427.310 -0.264 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823065 HFQTZGYUFNUGON-GUYCJALGSA-N 449.346 -0.065 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835704052 JRGHJBWZJOZCNA-XJKSGUPXSA-N 431.965 -0.135 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419418 GYQBIIGNRSDXTJ-UGSOOPFHSA-N 429.857 -0.183 50 20 IBGD Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cn2n1 728341534 VPRLJIJCFCRNHL-AWEZNQCLSA-N 427.373 -0.525 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 732197764 ZECHXIMRSJIYLD-GFCCVEGCSA-N 443.482 -0.144 50 20 IBGD C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746270254 SLOLZQYKXHLHCM-CKIKVBCHSA-N 439.469 -0.608 50 20 IBGD O=C(CO)NNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 755845478 XCZMBAVZCYXYJX-UHFFFAOYSA-N 441.510 -0.157 50 20 IBGD CS(=O)(=O)CCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)n1 763695949 ZIZPTALUGHQXGR-UHFFFAOYSA-N 443.869 -0.254 50 20 IBGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 764167230 WOPWKXHKXGVCOR-UHFFFAOYSA-N 444.448 -0.703 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2occc2Br)n(C)c1=O 765730869 PHDWCEVETQZOCV-UHFFFAOYSA-N 425.199 -0.750 50 20 IBGD Cc1cc(C)cc(-n2ncc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)n2)c1 781123760 IALCKJJLXAMOMQ-UHFFFAOYSA-N 428.478 -0.081 50 20 IBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)cn1 1788611731 WKTMORWFVDUBQW-KKXDTOCCSA-N 439.476 -0.309 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1791289332 UKUNXAXKHBLXCN-ZOBUZTSGSA-N 449.508 -0.638 50 20 IBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795737709 LGXBBEHYQAWVDA-OYNZLANYSA-N 444.293 -0.841 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1SC(=N)NC1=O 1796189275 SHEVSFIOTJPSEX-LMXXTMHSSA-N 444.322 -0.579 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891927 PCVUSOYIUVSBJA-JUCJAWLRSA-N 448.480 -0.177 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)CN1 1804971743 IMHLVMLJMFGANG-KRWDZBQOSA-N 427.310 -0.263 50 20 IBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1)C(=O)O 1807209218 LKQZRKHQOKYCRB-RZQQEMMASA-N 448.524 -0.477 50 20 IBGD O=C(Cn1cncn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807596297 KBFVYFVMAISQMZ-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1)n1cnnn1 1817474853 HROYUYFVWDFZSD-WBMJQRKESA-N 438.257 -0.357 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823117019 VHIJYXVJSICGRH-JTQLQIEISA-N 441.477 -0.341 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731230 ICVUNDCPYDFNPD-UZLBHIALSA-N 449.895 -0.063 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831645370 COKNGBXLWXBXON-XLIONFOSSA-N 438.717 -0.156 50 20 IBGD C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832452178 SCNDJRWTPKTEHA-HXUWFJFHSA-N 434.323 -0.644 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cocn1)CCO2 1834507144 RBGKLSFQKCOJEJ-BTVXTAIASA-N 444.448 -0.121 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928755 XYQQFCLFLXQNPK-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1836764109 CBQUBIQPDFMGTD-AEFFLSMTSA-N 434.896 -0.859 50 20 IBGD Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457894 VDFFGLYWGHEBPA-NRFANRHFSA-N 442.476 -0.295 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)n1cnnn1 1839154981 FIZRBDCSFIUJCC-WQVCFCJDSA-N 435.312 -0.073 50 20 IBGD O=C(c1cnc(O)nc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198982 HBSQTFCYLDROAF-ZUZCIYMTSA-N 449.233 -0.352 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839963603 QDQCLFNMHLEWFB-CRAIPNDOSA-N 448.358 -0.052 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1841924460 OGCDGLYGZHDYNR-OLZOCXBDSA-N 445.948 -0.085 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 746948880 CADCSHBTGGZJDW-OAHLLOKOSA-N 446.551 -0.242 50 20 IBGD CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NNC(=O)CO)c1 753452253 MTKICJFBEGBABI-UHFFFAOYSA-N 427.220 -0.705 50 20 IBGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763682252 LIBUVKPBCCLDDJ-UHFFFAOYSA-N 434.428 -0.481 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 764516851 VSCKPTMBZAYBFZ-KRWDZBQOSA-N 440.460 -0.107 50 20 IBGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccc(C#N)c3)CC2)cn1C 765755743 YPAOIDRLRUHOLJ-UHFFFAOYSA-N 431.478 -0.039 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)n(C)c1=O 766638126 YBMWRUCNZCEVFL-GFCCVEGCSA-N 447.496 -0.992 50 20 IBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 793267016 RWEDACBLFDXFHS-UHFFFAOYSA-N 444.535 -0.008 50 20 IBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)C[C@@H](C)O1 914789240 VGSMRYZVDYVVDX-OKILXGFUSA-N 445.567 -0.519 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777955370 UFNJHISSAHXQPL-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777983271 VMNHXHAYTBQWCA-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778580116 UMBWXQICYXAHOE-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1779295248 CEQWZMZONMDUJY-KRWDZBQOSA-N 435.517 -0.892 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3Cl)C2)C1 1779863321 MDDADBSJOQKEMA-SFHVURJKSA-N 426.905 -0.110 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)C(Cl)Cl 1782221424 UKZRBZWAAYBOBL-CXAGYDPISA-N 426.341 -0.409 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783940178 VSFLBBPQXKYKHU-OXJNMPFZSA-N 425.530 -0.506 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784349435 CJZDXIXBCOLDAG-BTYIYWSLSA-N 432.525 -0.283 50 20 IBGD CCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786236195 RYDHMXKAGSIYBK-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982277 WISLFUFKLUXFED-IEZWGBDMSA-N 439.277 -0.819 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1790958685 YJAHXYMESAMRDP-CYDGBPFRSA-N 445.314 -0.309 50 20 IBGD C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793342874 XIALEODMYQXEKI-GLPAEGGISA-N 429.477 -0.252 50 20 IBGD CC(C)n1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795734977 DICOBQYINIMOSC-HGKCTWBKSA-N 426.282 -0.339 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795789595 IGIFXPUYSDUUQR-FKBANKNKSA-N 443.464 -0.356 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1797753655 DDRNORJMQRVZSE-KBTBUAAOSA-N 429.477 -0.544 50 20 IBGD CCOC(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)OCC 1801146108 UBMPEKOWCCRGCN-CWPLJXCYSA-N 434.298 -0.641 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801451450 CMIYQJRKYACCLO-UEILYKACSA-N 426.282 -0.664 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367976 PALZTONSLDNZLR-VQIMIIECSA-N 440.265 -0.563 50 20 IBGD C[C@@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815295075 ZDPAQLBMNDUEAV-LRDDRELGSA-N 427.270 -0.093 50 20 IBGD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830727807 GACBKFGXKSBYRE-DNVCBOLYSA-N 441.868 -0.462 50 20 IBGD C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832456574 SSWSTUZXKFOWHB-HXUWFJFHSA-N 449.533 -0.326 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1834563452 CMWPEIGOIWXYJF-YJYMSZOUSA-N 439.900 -0.286 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1)CCO2 1834954949 GXFDXBCSYHXTMO-QFIPXVFZSA-N 448.520 -0.105 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837905275 ZCTRYPZBTQVMMI-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD O=C(c1ccnnc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200874 RJRDKYMCTNGXSR-ABAIWWIYSA-N 433.234 -0.057 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840149879 CHFOZPZSXFZYNJ-UGSOOPFHSA-N 430.889 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840153670 XIWYCFUOSLLOLT-RLFYNMQTSA-N 429.905 -0.376 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1840184975 IIKKILSHCKZTEC-XUMLPFHTSA-N 438.550 -0.309 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746096193 CHAKJGCPFCGLJR-XNHWVXRISA-N 439.428 -0.755 50 20 IBGD O=C(NNC(=O)c1ccc2nnc(O)n2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 762931397 KEHNKDIQOFRQKO-UHFFFAOYSA-N 446.445 -0.469 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 764434629 QYZAEBVPMBUGQT-IAGOWNOFSA-N 442.476 -0.169 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccn2Cc2ccccc2)n(C)c1=O 766645598 UQZLVXFNHCZTDJ-UHFFFAOYSA-N 435.444 -0.255 50 20 IBGD CN(C)CCOCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 788018670 QFLDODRPKHRAGZ-UHFFFAOYSA-N 427.527 -0.007 50 20 IBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 789858372 XBUHVGPGLFXGDX-CYBMUJFWSA-N 426.470 -0.004 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 913155911 CJBHEJUYRUSFCO-UHFFFAOYSA-N 443.445 -0.396 50 20 IBGD COc1ccnc(NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n1 914762864 UTWDUFLAWFBYTH-CYBMUJFWSA-N 443.507 -0.290 50 20 IBGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 915958436 DTFXLYCDHYWMTB-UHFFFAOYSA-N 440.507 -0.980 50 20 IBGD CCN(CCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(C)(=O)=O 918119591 ZHVRHMMOIIFIJS-UHFFFAOYSA-N 434.544 -0.405 50 20 IBGD Cn1c(C=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc2c1c(O)nc(=O)n2C 920367611 GCCQZHUWQDPICE-UHFFFAOYSA-N 439.841 -0.563 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1778490050 VFCXEAZEZUTUAF-JOCHJYFZSA-N 434.261 0.000 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1783880082 FURXSWHFUCXFBO-JCGVRSQUSA-N 435.905 -0.087 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643367 KQBRGNVUVQXOLO-OAQYLSRUSA-N 440.460 -0.528 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764659 QUGDUVZEECGXDE-RZLSGREXSA-N 431.562 -0.118 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cccn1 1791638991 CFRHIFMNYRXBQO-XIVBQZFQSA-N 426.282 -0.583 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792183557 JVDSLRZHCNPCNQ-LEAZDLGRSA-N 445.325 -0.736 50 20 IBGD O=Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1795741677 DUPWYYHRKRCMHH-ZSBFGKGUSA-N 428.275 -0.243 50 20 IBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1802332992 ITQIURQBWZUWFW-BTTYYORXSA-N 431.497 -0.749 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806912044 IXTCVDPTTOXZGG-AVRDEDQJSA-N 446.552 -0.207 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972857 SOVKSIBBMNYXAH-UHFFFAOYSA-N 439.277 -0.864 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810298140 GOJCWDOJAKKOHP-RHSMWYFYSA-N 449.475 -0.158 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812642765 JGWPRIZRDOJILV-JXXFODFXSA-N 430.509 -0.404 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1822410454 KBSYMMMPRDTFTK-ZDUSSCGKSA-N 448.484 -0.673 50 20 IBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722407 BAMAKPCGVCBIKL-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1830737078 CSAUVXJFPXRDGA-VVFCZOMOSA-N 426.901 -0.429 50 20 IBGD COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831623795 FDMPFLFWMFXULU-VJPSPVRRSA-N 449.508 -0.141 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3nccn3C)CC2)CC1 1834271049 RWLKZVGKXGPIKI-UHFFFAOYSA-N 433.557 -0.022 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421131 JVSUCVRSGWYUGF-HNNXBMFYSA-N 446.390 -0.064 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1835927510 QYSVENMICUEQAS-XVAXZDLZSA-N 432.257 -0.671 50 20 IBGD Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838099066 KQVKGTLOPYILCM-HXUWFJFHSA-N 434.497 -0.772 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838822099 BDPZYJFBQAYILX-OAQYLSRUSA-N 435.525 -0.223 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1840182544 FWNQBIDOWJHKBN-OXQOHEQNSA-N 426.514 -0.615 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1C 741645662 CDTYPRPLWIOYPI-UHFFFAOYSA-N 426.476 -0.101 50 20 IBGD O=C(CO)NNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 753436591 AUDPJRMCUVJWSU-SECBINFHSA-N 436.284 -0.340 50 20 IBGD Cc1cc(C(=O)NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)n[nH]1 764108471 IKINLLQFUXGMKJ-INIZCTEOSA-N 442.432 -0.868 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCc2n[nH]cc2C1 767108017 NRVFSTMAHYFANW-HNNXBMFYSA-N 448.505 -0.068 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)nc21 770396650 XLLFJWDEWHRYBQ-SNVBAGLBSA-N 428.475 -0.817 50 20 IBGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c2ccccc2c1=O 800747650 NJQBAVIVAXCIHC-FZMZJTMJSA-N 436.494 -0.405 50 20 IBGD Cn1c(=O)n(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 839287942 MQEYDPQYWZTTKC-KRWDZBQOSA-N 440.412 -0.129 50 20 IBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918187029 PYNKZMGOPFZZHN-UHFFFAOYSA-N 444.535 -0.342 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778774528 YYSNMWJJAGMJGE-NRFANRHFSA-N 435.249 -0.605 50 20 IBGD CNc1nsnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028658 GYTVQMAJKOAKQK-SFHVURJKSA-N 446.493 -0.664 50 20 IBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccc1O 1780749391 XYHWKQJINLALDW-JOCHJYFZSA-N 440.261 -0.162 50 20 IBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933217 FAHSTVOOKSBKNM-FQEVSTJZSA-N 425.530 -0.648 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790652119 ANCXHKYPILZNON-JURCDPSOSA-N 442.856 -0.664 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1791254862 VMZDJBZUIVNWJQ-FJIDUMEYSA-N 444.960 -0.616 50 20 IBGD O=C(Cc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795223265 VRVDBBGBTKGOPF-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccn3cn1)C2)c1cccc(B(O)O)c1 1795739236 VLUCHIQTKYGGQU-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccn2cn1 1797101866 DWWLGUQUNCDVOA-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD O=C(CCCn1ccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801304145 BNUUHOFFMZSGPZ-XEMDLRDOSA-N 426.282 -0.754 50 20 IBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825237857 LSJVGTIRAAMSBF-CQSZACIVSA-N 430.295 -0.425 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1)[C@@H](O)CCl 1833308874 BXGDIEFUVCIRNO-SFHVURJKSA-N 430.977 -0.120 50 20 IBGD CC(C)OCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798107 SNUOJIFIQHECAM-UHFFFAOYSA-N 431.342 -0.023 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1)[C@@H](F)Cl 1835080402 RIEQNHJQNMCWKP-CQSZACIVSA-N 428.829 -0.183 50 20 IBGD CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938113 MBVOIFPPEQDKNS-IIBYNOLFSA-N 434.298 -0.750 50 20 IBGD O=C(Cc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939337 MOCNGDZLOPRHKS-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839964538 UXHKORAVTHZFPW-CJNGLKHVSA-N 430.303 -0.092 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1840150862 SFLXBONYTJKXTH-KUHUBIRLSA-N 442.900 -0.289 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186787 PNKCPWJKNZUFJG-ABAIWWIYSA-N 446.353 -0.426 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1843010655 PAJOTHTVOIFCCT-UHFFFAOYSA-N 432.135 -0.461 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)n1 728721736 FMWAWBICEHDWQE-UHFFFAOYSA-N 429.480 -0.423 50 20 IBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)Nc1cnn(CC(=O)N2CCOCC2)c1 756833814 ASEIRBRZQHEYJP-UHFFFAOYSA-N 430.421 -0.020 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 762361554 PDGCCUQZNKQEBH-QWHCGFSZSA-N 441.531 -0.030 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2c3c(nn2C)CCC3)cc1 763737108 OKKKRJXFDZLZNB-UHFFFAOYSA-N 448.505 -0.376 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cccc1OCC(F)(F)F 764226065 FCTHSSCCFDBOJE-SECBINFHSA-N 440.400 -0.040 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 764399616 KWKSRNMAGAYBSZ-LBPRGKRZSA-N 427.421 -0.047 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3ccc(Cl)cc3F)cnc2n(C)c1=O 764410239 BCJPBJPUEATAOK-UHFFFAOYSA-N 448.798 -0.176 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(N3CCOCC3)c(F)c2)n(C)c1=O 764818113 QXZPLEFNXDMWFI-UHFFFAOYSA-N 443.439 -0.440 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)cn1 783349728 PLLAPDQXWFFBNY-UHFFFAOYSA-N 431.478 -0.231 50 20 IBGD CN(NC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705403 XWGUJMLFHXIXDQ-UHFFFAOYSA-N 442.498 -0.022 50 20 IBGD O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1 800724526 UJTAWOCINXPTTF-UHFFFAOYSA-N 437.884 -0.896 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 807368393 CVFVKALLMQHBCR-NSHDSACASA-N 430.483 -0.611 50 20 IBGD CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)NNC(=O)c1cccc(C#N)c1 814648531 QZJFYXGQYOSMCS-UHFFFAOYSA-N 431.474 -0.023 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 815569486 WCONQSMUFVJGGO-SSDOTTSWSA-N 432.256 -0.656 50 20 IBGD COCCN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 914458776 NHCZSTJOAGPGNY-OAHLLOKOSA-N 438.506 -0.273 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779085951 YGTNCDDLZGVUAA-UNEWFSDZSA-N 434.331 -0.502 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785523359 NLNFCUQHYOEMSE-OAQYLSRUSA-N 447.492 -0.282 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785955833 SAUWICCCPXOXDB-JQFCIGGWSA-N 425.449 -0.618 50 20 IBGD CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789955805 OMADDYJPTJCHNU-XIVBQZFQSA-N 431.298 -0.239 50 20 IBGD CCN(CC)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790601410 DDCSQQXYTGPARZ-GIUOSPMZSA-N 445.369 -0.062 50 20 IBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)NC(=O)NCc1ccccc1 1795085805 KHCMIULDVKJUPG-XEMDLRDOSA-N 428.493 -0.164 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)cc1F 1799563554 AJXIZGPDQYAAOT-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD CN[C@H](CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1)C(=O)O 1809967100 UGBIFMVNGVGGTJ-QGZVFWFLSA-N 431.298 -0.726 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1826089403 BXLOQIJOSIGTNO-RYUDHWBXSA-N 436.538 -0.046 50 20 IBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722412 BAMAKPCGVCBIKL-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD O=C(/C=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833072843 SJJVUYCGCYSTJM-DORXLWPQSA-N 440.261 -0.257 50 20 IBGD O=C(Cc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931637 VIKLMGBIPPFZFW-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837210951 AOZKKUYQFJMHSH-XHDPSFHLSA-N 428.269 -0.689 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C3CC3)C2)C1 1837456410 MHQTVMQHSDVNJI-SHTLVRLNSA-N 429.477 -0.279 50 20 IBGD C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921332 AINZRAXOGPWGIA-HNNXBMFYSA-N 431.298 -0.887 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1838661899 YXGLNRUJCCOAEW-FQEVSTJZSA-N 443.464 -0.900 50 20 IBGD O=C(CN1CCOC1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198232 AESBFLWIQJRQLB-IUODEOHRSA-N 438.250 -0.415 50 20 IBGD O=C(CCn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203860 YUTHGVOXJRRTJM-HIFRSBDPSA-N 434.266 -0.185 50 20 IBGD O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1)N[C@@H]1CCS(=O)(=O)C1 742366919 CRAONOXQQLPMAD-SJORKVTESA-N 445.501 -0.060 50 20 IBGD C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 745699487 GBTWMOGMJNBNDB-PJODQICGSA-N 437.449 -0.571 50 20 IBGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751283195 UYLXHFQJSOCADZ-UHFFFAOYSA-N 425.419 -0.039 50 20 IBGD COC(=O)c1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 756054394 POLHVTCMRSOUNW-UHFFFAOYSA-N 447.383 -0.788 50 20 IBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 761954040 YMNHMVYOIRYHDQ-UHFFFAOYSA-N 439.582 -0.020 50 20 IBGD O=C(NNC(=O)C1CCCC1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764071685 XQOJTSFTQGMIOV-KRWDZBQOSA-N 430.461 -0.023 50 20 IBGD COc1ccc(Cl)cc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765724531 LDXQVDBBABXSQX-UHFFFAOYSA-N 434.840 -0.514 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cnn(C)c3)CC2)cc1 765726392 BIQBUVJVEQNOSR-UHFFFAOYSA-N 448.549 -0.185 50 20 IBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 766639474 AOXNRJKEOUTUCP-UHFFFAOYSA-N 439.582 -0.068 50 20 IBGD COC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)on1 781417647 KAPLTCVTHPXEBA-UHFFFAOYSA-N 438.418 -0.443 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc3ccccc3n2)n(C)c1=O 813487695 KJUDGLOPNMEXEZ-UHFFFAOYSA-N 435.444 -0.238 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 815474518 UHAWHJUCMGELAC-OKILXGFUSA-N 430.373 -0.150 50 20 IBGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)ccn1 815570449 CNBGGCQCOGZMGI-MRXNPFEDSA-N 443.416 -0.265 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)ccc1S(=O)(=O)N1CCCC1 815779351 BRTNBRUXVKVZLL-CYBMUJFWSA-N 440.478 -0.255 50 20 IBGD COC(=O)C12CCC(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)(CC1)CC2 815827176 OXDUAINBJHHGFH-UHFFFAOYSA-N 446.464 -0.905 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 918138122 LFVQNEGJMIKMSP-UHFFFAOYSA-N 437.501 -0.090 50 20 IBGD CC1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779029229 OVSAKRRMVGIHII-JOCHJYFZSA-N 444.536 -0.140 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1779034008 IEUDSLPRSOPAJA-HXUWFJFHSA-N 427.465 -0.516 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCOC2)C1 1782694244 AHLOZUJBUOCMAT-SOIKWTOOSA-N 431.493 -0.151 50 20 IBGD Cc1nccn1[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791703287 UAJSAFMEHLLVQP-UDDICAGYSA-N 440.309 -0.274 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)nc1 1798268378 NUJWDHQNROJWHD-CWPLJXCYSA-N 432.525 -0.276 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2 1801014454 TXUZVUHCWVRVNC-CWPLJXCYSA-N 436.484 -0.106 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807683327 RFBXWNXSUBALNA-BEFAXECRSA-N 449.475 -0.309 50 20 IBGD COc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830724644 YOFQMDDTLPGRPA-ACJLOTCBSA-N 431.848 -0.101 50 20 IBGD Cc1nscc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833743052 BPJHTOFQACUROS-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1)C(=O)O 1835763854 NWUADQDTLOSEJT-OZVIIMIRSA-N 436.303 -0.711 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1835930944 APNFCGQMZXPMKN-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c[nH]1 1837457917 WAJABMLELGTXJM-OAQYLSRUSA-N 442.476 -0.295 50 20 IBGD C/C=C/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460793 KPPKDQVKJGWBPU-ORQJHOEPSA-N 429.477 -0.113 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840030530 ONLIFKGBVUITMB-SJCJKPOMSA-N 445.314 -0.166 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840863097 NNKDKYSTEUKSDX-DYESRHJHSA-N 448.350 -0.420 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840878841 RPLBFPFYBCVTEN-OXJNMPFZSA-N 426.514 -0.758 50 20 IBGD COc1ccc(NC(=S)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1F 727499475 QWXYSPIIPGRGSP-UHFFFAOYSA-N 435.441 -0.401 50 20 IBGD CC(C)CS(=O)(=O)CCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728328504 UQKUTIVXLQZJSU-OAHLLOKOSA-N 428.463 -0.022 50 20 IBGD C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276351 DAGAUGGIWOBLBR-RNFRBKRXSA-N 441.329 -0.286 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 740812584 PPXROPGISYCZFD-UHFFFAOYSA-N 435.480 -0.064 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc12 742055226 MFEBWUIGVXVWKT-UWVGGRQHSA-N 442.523 -0.421 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)cc1C 746325535 FRQUQJWGUUENCH-UHFFFAOYSA-N 434.478 -0.054 50 20 IBGD COC(=O)c1csc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 757680422 QEDBWJBTBATURR-UHFFFAOYSA-N 435.422 -0.865 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(F)c1 764234282 XEMHWBTXODEECB-ZCFIWIBFSA-N 425.236 -0.388 50 20 IBGD C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731931 TVDBWLNNXQZKEV-VIFPVBQESA-N 436.375 -0.673 50 20 IBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1=O 771276336 WNTXUAYKZKWXFM-ORAYPTAESA-N 438.506 -0.046 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)CN(C)C 775448732 SGXQOQUNJWGHFO-UHFFFAOYSA-N 429.499 -0.180 50 20 IBGD CN(NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204057 AWQIHMBUHMRZTL-AWEZNQCLSA-N 447.558 -0.259 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 792084072 LZKOUPXEQREVGI-ZDUSSCGKSA-N 433.531 -0.553 50 20 IBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 797368513 CBTDRNSATDGQHD-UHFFFAOYSA-N 438.404 -0.325 50 20 IBGD CC[C@@](O)(C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(Cl)c1 800517132 KZFFORJCOBTOMU-IBGZPJMESA-N 448.867 -0.468 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c2ccccc2c1=O 816828955 WEPGPBFIQATILZ-JFIYKMOQSA-N 430.461 -0.240 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCc4nncn4C3)C2=O)cc1 816881083 YPHDOWYKUFLSRM-YUNKPMOVSA-N 441.448 -0.536 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)CNC(=O)CNC(C)=O)c2ccccc2c1=O 918690267 VCCDMSZXZIGZMI-UHFFFAOYSA-N 430.465 -0.400 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1 920297401 GYFFQPOWJRGHEN-ZDUSSCGKSA-N 446.551 -0.519 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778509048 MARFBMAWZSEODE-QFIPXVFZSA-N 434.261 0.000 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1779031830 ZKRGLXRCQFPZOT-XMSQKQJNSA-N 439.472 -0.138 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1781998432 UJBLLIUQTBQWHW-APNQJHFZSA-N 433.347 -0.124 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117179 BRDSFOYXMQNWPD-PXAZEXFGSA-N 428.283 -0.085 50 20 IBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cccn1 1784520033 JLMXCIDMMQRKGM-XOBRGWDASA-N 427.465 -0.414 50 20 IBGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)c(=O)nc1O 1785354003 KJSBNXGNCMQENB-BLLLJJGKSA-N 447.261 -0.222 50 20 IBGD CCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786236031 LARBSAHXFAQDOC-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD C[C@@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738825 HGGNJDAJDRKUSA-JJAZEVLHSA-N 444.322 -0.473 50 20 IBGD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C(F)F)n1 1795739205 ZWAFHCPCJRPFFC-YWVIFJGQSA-N 448.235 -0.446 50 20 IBGD CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1795906175 YGCAEYOSKPIBDJ-FVCICTRLSA-N 446.700 -0.178 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367892 OJAFAKHNEDQFBU-WIYYLYMNSA-N 448.292 -0.237 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370765 KUUZSRBYDIZFCL-APWZRJJASA-N 445.306 -0.874 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807800791 QAUBDXPOCZHXOT-APWZRJJASA-N 434.265 -0.179 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815347932 YBTBBKVHGZALIL-HUUCEWRRSA-N 444.322 -0.037 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829913771 ABWFXGHEGJGUTC-RXVVDRJESA-N 432.282 -0.995 50 20 IBGD Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1830724663 AKLDFAWFGOYBGT-GUYCJALGSA-N 432.930 -0.165 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCCS3)CCO2)C1 1831553870 MWKXUGKVIUQWPF-HXUWFJFHSA-N 447.517 -0.224 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1832285584 RFEQMURAUVNLRK-HNAYVOBHSA-N 440.313 -0.153 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214562 RCFOJPDYRNXHKQ-XJKSGUPXSA-N 430.303 -0.092 50 20 IBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CC1 1836669213 MKXZMYDZAKVGBH-SFHVURJKSA-N 447.374 -0.525 50 20 IBGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)CNC(=O)c1ccco1 735585613 HCBSCIWPASXOSR-OAHLLOKOSA-N 429.481 -0.055 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 740853235 ZFHKWXBNWKBXIZ-FQEVSTJZSA-N 433.465 -0.086 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cc[nH]n2)cc1OCC 755284910 HXNOEPOSSZWAKL-UHFFFAOYSA-N 425.467 -0.125 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)[C@@H]1COCCO1 755407980 GLZLVPGSEUNJBP-HNNXBMFYSA-N 444.466 -0.716 50 20 IBGD C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 756913214 DMYOSSJZPVOYMB-ZDUSSCGKSA-N 433.436 -0.111 50 20 IBGD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570555 FQJHSYNCRGFTAO-MRXNPFEDSA-N 448.457 -0.338 50 20 IBGD Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765725898 VGBXEROZVRUBKO-UHFFFAOYSA-N 440.460 -0.139 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)n1 770452796 QFABZQAUUPIWAD-UHFFFAOYSA-N 441.491 -0.356 50 20 IBGD CN1CCN(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1=O 780926440 LHXBBJKTEJHPDJ-UHFFFAOYSA-N 436.944 -0.621 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1C 785061117 SKLDSYKICWXJGL-UHFFFAOYSA-N 444.473 -0.121 50 20 IBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 795781635 XCSFLTVVRXRFRP-LJQANCHMSA-N 432.389 -0.180 50 20 IBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)COc2ccccc2O)cn1C 804990608 ZIAGCEIHIXPDCP-UHFFFAOYSA-N 425.419 -0.135 50 20 IBGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919890039 ZAIKTGCRWKJURB-CYBMUJFWSA-N 432.524 -0.153 50 20 IBGD COCCN1C(=O)/C(=C\NNC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NC1=S 920977688 HNVMMLJAFGZWSM-LUAWRHEFSA-N 438.462 -0.280 50 20 IBGD C[C@@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)CN1CCN(C)CC1 1331681919 VWXZBMXUDZETBN-AWEZNQCLSA-N 425.559 -0.193 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1778787571 NVUXCLOQDYPVKA-IMSIIYSGSA-N 426.239 -0.429 50 20 IBGD COc1ccnc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1779533164 RAABONJAJSZURZ-NRFANRHFSA-N 425.250 -0.473 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1ccnc1 1786978779 TUSQEZJINCUWRQ-XIVBQZFQSA-N 426.282 -0.583 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1792872180 PUVAZLNUTOFLIT-HNCHTBHHSA-N 434.287 -0.850 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(=O)oc1 1794995579 VUOLWJCOLCYIBL-QRUVTEGNSA-N 441.444 -0.023 50 20 IBGD COc1ccccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741266 QICRLVFAVPWXCT-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)CC)C2 1797588647 UCOPIQWYMHSLDT-ZUDIRPEPSA-N 436.303 -0.186 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1798524839 MORFZQRBCAJYIQ-NASWQRNTSA-N 448.432 -0.142 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 1801011297 HBPHIAGBGGDGFV-HPNQWNLUSA-N 430.505 -0.047 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803650103 IYWSRTQLFGABTI-MPGHIAIKSA-N 432.481 -0.431 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1cc(O)n[nH]1 1807283855 JLDAQHBUTYYSQY-DNVCBOLYSA-N 435.249 -0.177 50 20 IBGD O=C(Cn1nccn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1823112986 SBIKANQVAZBEPV-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829918318 BZUHNHIWXPXWQW-UTKZUKDTSA-N 447.492 -0.676 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CBr)CCO2)C1 1830543725 ALJNXSSNWBKTFE-OGHNNQOOSA-N 434.331 -0.002 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832684589 GLVRTGRMRVRRLM-XIKOKIGWSA-N 430.889 -0.694 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834597445 FOUHNWPSNQGOPQ-HXUWFJFHSA-N 436.465 -0.917 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935288 MUSFTRITUVMCCC-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837411029 UGSYFLSAYANXNI-WIYYLYMNSA-N 430.266 -0.871 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354781 VXBJLGCQQUCTEF-RYUDHWBXSA-N 432.905 -0.442 50 20 IBGD COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012305 AXFBRDVMKSHSII-UHFFFAOYSA-N 434.298 -0.747 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1848327677 GHKNIUUIKZVLKP-HOTGVXAUSA-N 437.522 -0.327 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(OCC(N)=O)c2)CC1 735117495 UZMMDOLLAOWUMJ-UHFFFAOYSA-N 448.505 -0.361 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cnccn1 764024663 OEYMLZWHUGBVDJ-UHFFFAOYSA-N 446.489 -0.143 50 20 IBGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 764344955 MLKZNJKNNJBOHU-UHFFFAOYSA-N 430.465 -0.150 50 20 IBGD CC(C)COc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638069 XEZXMVLVEXHMFZ-UHFFFAOYSA-N 428.449 -0.070 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772157325 BCHDYSAEFJOORU-DGCLKSJQSA-N 431.515 -0.171 50 20 IBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccccc1I 783999305 DZVDPVACJKVGOE-UHFFFAOYSA-N 430.202 -0.001 50 20 IBGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 805043903 XFJZRVBPHZDDMH-VIFPVBQESA-N 429.377 -0.838 50 20 IBGD Cn1cnn(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 814699015 YOZCDEYQUXKDJC-UHFFFAOYSA-N 436.494 -0.392 50 20 IBGD O=C(NC[C@@H]1COCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918109119 VFQOSQMHUQQCCZ-CQSZACIVSA-N 428.467 -0.933 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1OC 1341157737 NYJRGVWBBBZIFC-HNNXBMFYSA-N 440.522 -0.731 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778047914 HUSJWLJGGOGOLX-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1779033973 GZVBXLBGBBLLDI-BHOPFYFBSA-N 429.477 -0.304 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1779034069 LJTWDGKWYXXGAL-NRFANRHFSA-N 444.492 -0.859 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784608939 JQVSDLDFGXPWHC-OAQYLSRUSA-N 425.250 -0.969 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(N)n3)C[C@@H]21 1788610888 ZPWOWBMFBQXKEJ-XEGUGMAKSA-N 445.505 -0.369 50 20 IBGD O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788677860 HENYCKAQKXAVEC-ZXUJOAJASA-N 439.277 -0.328 50 20 IBGD O=C(CCCc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794129310 BEBYUFSCRPWHQS-HATOLVCRSA-N 437.305 -0.013 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n(C)n1 1795740246 JIAWMBLKYTUXER-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cncn3c1)C2 1797751501 AXZFUFBQJIYRHZ-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD O=C(CCc1cccc(O)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801124048 RNUBBEILVGWATK-OPMZPASUSA-N 438.289 -0.092 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804191200 WJFGZNKVDQMYLK-JKIFEVAISA-N 437.884 -0.107 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)N1 1817473163 JHIOQDQHPFMTOX-HOCLYGCPSA-N 425.254 -0.326 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)N1 1827050996 JVHWISKEGJHYAI-MOPGFXCFSA-N 427.310 -0.122 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832491106 GISKXWLXQKLIEF-CFLQYTFWSA-N 440.880 -0.118 50 20 IBGD O=C(c1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833834343 UHHYIKUDRNJBHR-SWLSCSKDSA-N 433.234 -0.057 50 20 IBGD O=C(C1=CCCS1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927503 QNFIBGBGGSNOAF-FQEVSTJZSA-N 432.307 -0.543 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1835934440 SKDCBIQRACWRIB-KFKAGJAMSA-N 440.664 -0.639 50 20 IBGD O=C(CCn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203694 SLIPVOKJCCAWJM-ZFWWWQNUSA-N 434.266 -0.185 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840032242 SFQQZGAIHKNBAN-MAUKXSAKSA-N 448.358 -0.052 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840590746 VSBFZNDDDWWHLZ-DYESRHJHSA-N 440.541 -0.368 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c2ccccc2c1=O 14347639 QNFVFUQSSAXSSY-UHFFFAOYSA-N 426.433 -0.115 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728380016 MJJXOWANKITRQQ-JSGCOSHPSA-N 449.576 -0.331 50 20 IBGD O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)NNC(=O)[C@H]1COc2ccccc2O1 732339915 LTVAHQWXGVBQNL-OAHLLOKOSA-N 425.353 -0.286 50 20 IBGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1cnn(C)c1)N1CCOCC1)c1cnn(C)c1 741766513 MMFSKONOQMNRDN-SFHVURJKSA-N 443.512 -0.375 50 20 IBGD CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 755268938 SPJYVGGPCHRGCU-KGLIPLIRSA-N 425.530 -0.018 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(C3CCCCC3)[nH]n2)n(C)c1=O 759607396 IWKBYGHWYJGSGJ-UHFFFAOYSA-N 428.453 -0.334 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 764344561 ZMNJFJQJXAHBBE-OAHLLOKOSA-N 439.428 -0.217 50 20 IBGD COC(=O)[C@@H](C)Oc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764812367 JPSQWOGOJLVAOY-GFCCVEGCSA-N 442.432 -0.476 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)n(C)c1=O 766638135 YBMWRUCNZCEVFL-LBPRGKRZSA-N 447.496 -0.992 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 767278662 IQFKZLXQYZLQBZ-UHFFFAOYSA-N 439.428 -0.512 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccc(O)c2)ccc1Cl 778291560 IDMSQASAWYIXCX-UHFFFAOYSA-N 426.838 -0.116 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779782 VRHDWIRWICRMBP-MRXNPFEDSA-N 438.506 -0.067 50 20 IBGD CCOC(=O)NCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920424522 BMXGLKDQIJNVPS-UHFFFAOYSA-N 442.494 -0.466 50 20 IBGD COCCn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 1253410995 ATGMAMDOQSKKSS-UHFFFAOYSA-N 431.496 -0.597 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784339477 UOYLTZZXHAIPIP-UDIPQKBFSA-N 442.480 -0.368 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1c(F)cncc1F 1789006598 KWAIRSDFVIKWBG-YEWWUXTCSA-N 445.231 -0.053 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1)C2)c1ccc(B(O)O)cc1 1795734792 QOOYPPGKHIOTRG-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2O1 1797228997 UADCDQWSWKGUSB-HPNQWNLUSA-N 430.505 -0.047 50 20 IBGD CN1CCN(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)CCC(=O)NN(C)C)C4)CC2)CC1 1799979646 XOFCSWLAXZGECG-BCDXTJNWSA-N 434.585 -0.222 50 20 IBGD Cc1cccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)c12 1800105644 WLVNAIKLYXWXOM-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367194 JUYWGZKBUSPNAR-AYZHRIAMSA-N 435.289 -0.027 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@@H](O)CCl 1814867403 KDCFOQXGTPOGNW-KGLIPLIRSA-N 447.945 -0.268 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730868 GFILWGPOEZHKQP-KBXCAEBGSA-N 428.873 -0.665 50 20 IBGD CC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734415 GCFCZEVLIJJRKG-GOSISDBHSA-N 432.525 -0.359 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835765570 WVPQMTWNPJZIGS-FXAWDEMLSA-N 446.976 -0.538 50 20 IBGD Cn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929517 SSGASRODXKWVOL-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ncon1 1836045468 VZPKQMRSMANJPE-UHFFFAOYSA-N 427.270 -0.752 50 20 IBGD Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837229184 FCSDSFPGGPVHFV-UHFFFAOYSA-N 441.297 -0.579 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838760820 BJNDACBIAJBCAS-GOSISDBHSA-N 449.976 -0.475 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1840182736 RPLASVGRHWNGOD-XLIONFOSSA-N 428.530 -0.777 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840184012 NPBZTVSTFFYLSR-RBBKRZOGSA-N 448.520 -0.451 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1840184727 CJLQXQCJVIIDMD-FSPWUOQZSA-N 434.896 -0.260 50 20 IBGD O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1CCS(=O)(=O)C1 16785979 ODEKOTRXXXZOKZ-NSHDSACASA-N 428.492 -0.913 50 20 IBGD COCC(=O)N[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(C)C 741282807 ONGSXFUYDZXPIL-SFHVURJKSA-N 441.554 -0.147 50 20 IBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)COc1ccccc1O 749915940 DXMKKGBWKQMGKD-UHFFFAOYSA-N 437.420 -0.204 50 20 IBGD CSCCNC(=S)NNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 770241200 XISNPYVZJUZGGW-UHFFFAOYSA-N 439.610 -0.479 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1(O)CCOCC1 771915692 XQMXLVWIQUVAJA-UHFFFAOYSA-N 441.506 -0.671 50 20 IBGD Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(=O)c1 790686984 CPGGYBLXXGJBJN-HRAATJIYSA-N 445.428 -0.562 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 800054837 JOOBAVDNMHFBPP-OCCSQVGLSA-N 432.524 -0.248 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 807381798 JJFMHUOPBIFLJB-INIZCTEOSA-N 429.481 -0.476 50 20 IBGD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 807579217 MBKBGUOFDTUFRS-GFCCVEGCSA-N 444.470 -0.425 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C(=O)C1=O 819658277 KVBFTNRPITVRQS-CYBMUJFWSA-N 425.486 -0.528 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nc1 920239216 XFAFTVSEKYQXRW-GFCCVEGCSA-N 434.544 -0.182 50 20 IBGD O=C(NCCc1cccs1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 920861123 DKYGSVKJAANUMI-NSHDSACASA-N 427.508 -0.214 50 20 IBGD COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)nn1 1782212368 XRKDJEJYNANPTO-IIBYNOLFSA-N 448.524 -0.014 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937847 YBAWZDLULXXVOG-IFXJQAMLSA-N 428.486 -0.249 50 20 IBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1789868441 FQCZGRPKRILZNV-KNKXYGFZSA-N 435.308 -0.200 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H](F)Br 1789922705 ORZPDQXNXFGOJZ-MXAVVETBSA-N 443.078 -0.350 50 20 IBGD CN1CC(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)C1 1810308655 LOKLFHAKICEIOB-DNVCBOLYSA-N 437.504 -0.039 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728551 UOVMTNYGVPOAJZ-IFXJQAMLSA-N 437.884 -0.293 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)o1 1831794620 JKTZTUIKJAKUNZ-OAQYLSRUSA-N 443.460 -0.030 50 20 IBGD O=C(CN1CCCC1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833100917 UCVFOMNVSBMKFV-UHFFFAOYSA-N 442.369 -0.353 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cscn3)CCO2)C1 1834256951 YUMUWLCOQPPCMM-IBGZPJMESA-N 446.489 -0.475 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1C 1840184400 JYAICBSYGVKECK-OAQYLSRUSA-N 435.525 -0.223 50 20 IBGD COc1cc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OCC(N)=O 726099170 GODSFUMCNZNPFN-UHFFFAOYSA-N 435.462 -0.119 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730581680 ZRTBXQYXOOMJPH-UHFFFAOYSA-N 435.553 -0.813 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H](C)O1 732264330 SULJKVRDXBGSSE-KBPBESRZSA-N 444.510 -0.439 50 20 IBGD Cc1cccc(C(=O)NNC(=O)Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)c1 742450215 ZOFCBCPWIDMXMH-UHFFFAOYSA-N 449.265 -0.034 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)n(C)c1=O 765732910 XXCJLSBLMQTVPN-OYHNWAKOSA-N 436.472 -0.125 50 20 IBGD Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NNc3ccccc3S(N)(=O)=O)ccc21 788230581 QSMPTXYSIMGSDO-UHFFFAOYSA-N 447.477 -0.219 50 20 IBGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793018830 GOHJZGRTLOZLIW-CQSZACIVSA-N 427.483 -0.475 50 20 IBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1C 794583574 BHKZSACEZGYFJG-UHFFFAOYSA-N 430.464 -0.764 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 799258975 LXWQFTRZKWOUAI-XJKSGUPXSA-N 436.465 -0.258 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 912994351 LLCSBHUQIZZQBC-AWEZNQCLSA-N 441.466 -0.190 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1781998433 UJBLLIUQTBQWHW-IPJQOSJUSA-N 433.347 -0.124 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936707 ZLSNZGBKAVXPDH-MGPUTAFESA-N 433.513 -0.520 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784490447 WMXODJHTDDJRPS-AOMKIAJQSA-N 439.277 -0.328 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)cn1 1786213942 BPUZZZMAFQVDMX-FNHZYXHNSA-N 427.241 -0.192 50 20 IBGD CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n[nH]1 1786979437 ITIYQXLMGQNHQG-QOKNQOGYSA-N 440.265 -0.801 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980869 BSKVWESZELIGFG-CBVHJVASSA-N 445.325 -0.736 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787940425 XYWLLWGBGGZVNI-KKUMJFAQSA-N 444.496 -0.909 50 20 IBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1790957934 FINSQQORDHELFJ-YYHQMBLXSA-N 445.314 -0.262 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1791291152 ODZMMZHOPJHJRN-NZKOJWOPSA-N 435.525 -0.826 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1791293005 DZRFQHBCJCLAIP-CTEHYQNGSA-N 430.509 -0.158 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189367 DFOACOXNZFLKSS-KYHPRHEASA-N 447.297 -0.539 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800975664 QFRKQDPMWHHSRQ-OXIQGZBJSA-N 425.873 -0.917 50 20 IBGD COCCOCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339913 UMVILIATQSQZAT-AWEZNQCLSA-N 433.295 -0.288 50 20 IBGD CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799527 DGGXUJNGKMDJFP-MWLCHTKSSA-N 445.505 -0.108 50 20 IBGD CC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1833258989 MGPCGIPATGRMME-GOSISDBHSA-N 432.525 -0.359 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cn(C)cn3)CC2)CC1 1834287044 GSXILLXQBIFBBG-UHFFFAOYSA-N 433.557 -0.022 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCOC3)CC2)CC1)c1cccc(B(O)O)c1 1834801351 AHEDFAFEBIBZPE-KRWDZBQOSA-N 429.326 -0.412 50 20 IBGD Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834934060 UPFYVNRNLUOMFW-UHFFFAOYSA-N 434.545 -0.329 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n[nH]1 1835928359 MNBPJYAFHZYVSJ-NRFANRHFSA-N 442.281 -0.964 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1835933743 BYJSUPMLORRZNH-XVAXZDLZSA-N 432.257 -0.671 50 20 IBGD O=C(CNCP(=O)(O)O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716775 PXROQUULRJXGTA-CQSZACIVSA-N 441.849 -0.691 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837698780 RRNXLXPEFPIUHE-KXBFYZLASA-N 427.574 -0.015 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1839967398 LCWIPRWAYQCXBV-XEZPLFJOSA-N 445.318 -0.136 50 20 IBGD O=C([C@@H]1CC(c2ccccc2)=NN1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014828 GKNVSJWEGRIWHB-FQEVSTJZSA-N 432.289 -0.050 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1=COCC1)c(=O)n2Cc1ccccc1 727755140 YTNULJXRJDIFII-UHFFFAOYSA-N 438.444 -0.121 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1=O 732259467 FCHFIZVBESJHAY-GJZGRUSLSA-N 431.493 -0.170 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CC3)CC2)cc1 733193559 WKFXZSWNVNPLTM-UHFFFAOYSA-N 438.506 -0.273 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnco1)c(=O)n2Cc1ccccc1 758216632 VKFPCXLJGRGWKH-UHFFFAOYSA-N 437.416 -0.123 50 20 IBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCSC1 763378206 CKSUBFTXXNLXOG-HNNXBMFYSA-N 442.563 -0.094 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1cccc(F)c1 764229794 CDUKLSGDGFLWEG-SNVBAGLBSA-N 426.430 -0.657 50 20 IBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)Cc1ccncc1 764354787 XACQLUWWMRNJLI-UHFFFAOYSA-N 431.474 -0.389 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764398322 FGGWZVDGFUHGIO-LLVKDONJSA-N 432.433 -0.170 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n(C)c1=O 765732634 QCIGNYFLUGKIGS-VHSXEESVSA-N 432.387 -0.337 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1CC(=O)O 774603686 INTAGJDXHZLYRV-UHFFFAOYSA-N 432.418 -0.079 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794074698 HPZSAGUIRIXVOZ-LBPRGKRZSA-N 438.466 -0.839 50 20 IBGD Cn1cncc1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 806272662 IYSGEOQHSLNUCG-UHFFFAOYSA-N 435.506 -0.236 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](O)C(C)C)c(=O)n2Cc1ccccc1 813403513 BXBWKUXDVSJPAR-KRWDZBQOSA-N 442.476 -0.408 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1338052354 OLMWXJAQOKCJCJ-VXGBXAGGSA-N 436.483 -0.015 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1778787575 NVUXCLOQDYPVKA-RULNRJAQSA-N 426.239 -0.429 50 20 IBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C 1779833056 ROBYBIWWOHTLGT-OAQYLSRUSA-N 426.282 -0.580 50 20 IBGD CN(C)CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969921 NDOQWQTYTWNFCJ-QFIPXVFZSA-N 446.552 -0.276 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784351384 YMOKXPPZTHFSJI-OPAMFIHVSA-N 438.293 -0.662 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291140 NKCICXIYPRPFJT-QAETUUGQSA-N 439.557 -0.356 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1793879188 LMZUMSJOQHWJLG-ZWUHOBOKSA-N 446.932 -0.026 50 20 IBGD N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795732682 LAMGEZYVAOPWPF-HATOLVCRSA-N 433.273 -0.316 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2nccc2c1 1797556116 WMLATCHPKXQOBR-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797829625 KKYKKESAGPZVAM-ZWUHOBOKSA-N 428.873 -0.444 50 20 IBGD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095388 QAJLPFDFEROLAT-DMUMMCEESA-N 447.536 -0.307 50 20 IBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824182767 JTAQGAFHWFNVLH-KBPBESRZSA-N 437.888 -0.354 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnsn1 1833977120 CDRUUEAIKPDBCB-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD COC(OC)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800208 ZUMQMJSWGFQNMD-UHFFFAOYSA-N 433.314 -0.830 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508028 HGEHBRNEQZIGIY-BDJLRTHQSA-N 431.833 -0.358 50 20 IBGD Cc1c[nH]cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457484 DRULSTSLEYVSNG-NRFANRHFSA-N 442.476 -0.295 50 20 IBGD O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199286 LVGOGUBBPYNRHP-HOCLYGCPSA-N 436.278 -0.244 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839663420 SDMZXYASECMPCL-QGZVFWFLSA-N 443.298 -0.515 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840150859 RZJVGYXOBMDDAJ-UGSOOPFHSA-N 430.889 -0.695 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188250 ZAKRYFHSEUBLBN-MRXNPFEDSA-N 445.263 -0.709 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(OCC(N)=O)cc2)CC1 735117719 GZMLFCKPDUKWOU-UHFFFAOYSA-N 448.505 -0.361 50 20 IBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2=O)n1 745884384 WPZMMQSGWHBKNF-CQSZACIVSA-N 438.448 -0.193 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763574560 DQRJOLCDAONZJE-INIZCTEOSA-N 448.457 -0.137 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c[nH]cc(C)c3=O)CC2)cc1 781430576 BBBZZPZRXYPPMA-UHFFFAOYSA-N 447.517 -0.241 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=S)Nc3ccccn3)c2)CCN1 1332383781 JQSJTTYYXNGZEF-UHFFFAOYSA-N 434.503 -0.167 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1781997374 STAIVMXCKIBTBQ-BDBYMAIGSA-N 445.314 -0.118 50 20 IBGD C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(F)(F)F 1784873765 RMFHQGHGWCKZBS-ADOMEBDSSA-N 444.215 -0.727 50 20 IBGD CCN1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1785642014 HFKCMEAQGVSPIN-QFIPXVFZSA-N 429.326 -0.458 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786845148 QLBKHZSINGZNHY-XUXIUFHCSA-N 430.347 -0.020 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1796443822 MFUGPQSACANWKO-HHWFLTMWSA-N 442.480 -0.437 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797234064 LCCFYRONLLKYRD-MPTYRVRUSA-N 431.375 -0.146 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Br)CC)C2 1797588646 UCOPIQWYMHSLDT-XJBAAKRRSA-N 436.303 -0.186 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n(C)n1 1797751742 QXQNNGKOHPZJGH-IVWMJMPLSA-N 441.492 -0.502 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)cc1F 1799563980 PRMZAQIPOUKVRC-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1800641918 MMVXTTCWTQFHIM-RGHULWKBSA-N 434.331 -0.600 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362836 WRDCDOBRJBDZSI-YJBOKZPZSA-N 435.249 -0.177 50 20 IBGD COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089463 FXXLCOIUMAQFJO-SNVBAGLBSA-N 426.499 -0.216 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832471226 KBUVUYYAWTXMKU-GOSISDBHSA-N 430.889 -0.740 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128177 RUFOATGFQMCDOQ-DCGLDWPTSA-N 432.315 -0.105 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)C(=O)O 1835761814 AKOOCJKTJTYPDL-DQYPLSBCSA-N 440.324 -0.258 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939743 ZFCSGRAWIWHJEP-IIBYNOLFSA-N 447.297 -0.763 50 20 IBGD O=C(c1cc2n(n1)CCCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836966592 FMFCKKFGESYJEZ-KSSFIOAISA-N 428.873 -0.665 50 20 IBGD COc1ccnc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1OC 1844841120 VWIBPCSJFYKFMT-UHFFFAOYSA-N 425.250 -0.091 50 20 IBGD C=CCOCC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 729310885 WTROMVRJAWPFHB-UHFFFAOYSA-N 440.460 -0.222 50 20 IBGD CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 731466799 KCRTWTMMLKRWSH-GFCCVEGCSA-N 434.540 -0.194 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)c2ccccc2)CC1 735117557 XEWJKXIPNKKKQT-UHFFFAOYSA-N 432.506 -0.109 50 20 IBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O 746093045 AZCJDDNBNDZFEJ-CQSZACIVSA-N 425.511 -0.892 50 20 IBGD CN(C)CCN1C[C@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1=O 746331871 KWFDVXUYFRTARY-OAHLLOKOSA-N 439.538 -0.439 50 20 IBGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746594235 LHMNXVXRPVRHNG-CWTRNNRKSA-N 449.489 -0.497 50 20 IBGD CC(C)n1nc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)c2ccccc2c1=O 749715049 IHHFJGDBVHOBHA-UHFFFAOYSA-N 447.477 -0.327 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccccn2)c1 758908387 STUYNBMWCBHVIH-UHFFFAOYSA-N 433.446 -0.261 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764210357 BBZDZAGEIWENBH-UHFFFAOYSA-N 437.522 -0.541 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCCN1CCN(c2ncccn2)CC1 778592682 HDAXAAHHHCXKSE-UHFFFAOYSA-N 436.517 -0.156 50 20 IBGD CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967223 SSIKEXYGZDYJDB-UHFFFAOYSA-N 441.238 -0.010 50 20 IBGD C[C@@H]1CC(=O)C[C@@H](C(=O)NNC(=O)c2ccncc2)[C@@H]1C(=O)NNC(=O)c1ccncc1 791120544 CZKNMWHIZJFVGB-CSMYWGQOSA-N 438.444 -0.070 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nc1 792397277 HZGJPXLZOZBLCE-UHFFFAOYSA-N 427.464 -0.140 50 20 IBGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@H]3CCc4nncn4C3)ccc2O1 793448517 TXAQRTZGYVFODU-NHYWBVRUSA-N 435.462 -0.283 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780771526 JVBVUKFYJBZPRC-NGOBNIPXSA-N 437.310 -0.216 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781603404 AGSCNSPBTKAHEM-OAQYLSRUSA-N 428.225 -0.032 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1783880086 FURXSWHFUCXFBO-VEVIJQCQSA-N 435.905 -0.087 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795522050 IGDIRZFSCOUXMT-GUDRVLHUSA-N 428.220 -0.916 50 20 IBGD Cc1cc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)no1 1795734164 GOTUINYQZQGAQK-DFBIAFCQSA-N 425.250 -0.421 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(O)ccc1F 1799525450 JMHYPEIAWFSQLN-HBCWATKFSA-N 428.225 -0.272 50 20 IBGD Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369886 XOFIYGWBEOTLCO-WMZOPIPTSA-N 434.265 -0.477 50 20 IBGD CN[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1826940145 DXTGMTNNNWUJPW-OALUTQOASA-N 445.325 -0.338 50 20 IBGD Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834314425 CQJNUCLFLSKMOO-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)O1 1836611089 WCFLZRBAQAAMRY-JXXFODFXSA-N 426.514 -0.617 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837808248 JARGRNCHQGJKIO-HXUWFJFHSA-N 436.513 -0.530 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839152291 VCZUZICGJYSJOX-SJORKVTESA-N 436.340 -0.481 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 729275741 RDOQLCNPZZEIHH-LLVKDONJSA-N 448.523 -0.822 50 20 IBGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCOCC1 739058301 FNKYLZPCPXCHRV-CQSZACIVSA-N 427.527 -0.151 50 20 IBGD Cc1nc(C(=O)NNC(=O)CNC(=O)c2cccs2)nn1-c1n[nH]c(C(F)(F)F)n1 747373423 ZXZNPLVSWAMDMF-UHFFFAOYSA-N 443.371 -0.035 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)n1 769469015 LUUOVJGZJSFQED-UHFFFAOYSA-N 428.453 -0.348 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 789950600 RYPBMBHVQGMLEZ-IBGZPJMESA-N 432.433 -0.166 50 20 IBGD CN1CCN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1(C)C 799680974 YGJHJPUWWKQHOB-UHFFFAOYSA-N 440.570 -0.093 50 20 IBGD O=C(NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCc2nncn2C1 814211788 QBMMOKOOHFPLBO-ZDUSSCGKSA-N 446.489 -0.133 50 20 IBGD O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 915906275 XAOHAQCRDPZKDF-UHFFFAOYSA-N 441.452 -0.139 50 20 IBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 916433387 MXNWOLFZIIPCHN-UHFFFAOYSA-N 440.526 -0.955 50 20 IBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 916622220 ARMPFQVWLMSZIB-UHFFFAOYSA-N 434.544 -0.358 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)OC)c(=O)n2Cc1ccccc1 918015897 AUWAEUZGXBEPBX-CYBMUJFWSA-N 428.449 -0.390 50 20 IBGD CC(C)n1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1780380735 JJSQIUBPLQIVSF-OAQYLSRUSA-N 426.282 -0.099 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911115 UWZUKPCDNQRFGN-YRBFXIGRSA-N 440.368 -0.511 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791838135 SNFITJXGNMEIPI-MXQGQTLFSA-N 443.504 -0.008 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188505 OCLLWLSDUWYUNB-REPLKXPHSA-N 433.277 -0.096 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440274 KERVVCDRWWQBGL-MVVILRQUSA-N 447.496 -0.843 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@]1(F)Cl)C2 1797754463 YJFMNGOVQCYSGF-KRYNJSQMSA-N 425.848 -0.187 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1N(C)C)C2 1801009660 YYRSHGCNBSVYPI-YVWYUNDQSA-N 432.525 -0.276 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367169 QZMCDBYYHFIVJE-YLJYHZDGSA-N 427.266 -0.910 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375657 PGFJVDQCMVPWHU-APWZRJJASA-N 447.260 -0.110 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1810304297 BYGVOWRHPDCIJB-DNVCBOLYSA-N 442.476 -0.591 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832120737 PWPXOPSOXCEKAA-OIEOKWFESA-N 435.456 -0.065 50 20 IBGD Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1833851354 KTTRXOJZMDJAKO-OAQYLSRUSA-N 442.476 -0.593 50 20 IBGD NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833918003 BANKDIBRBOVNQQ-INIZCTEOSA-N 437.928 -0.035 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1)c1cccc(B(O)O)c1 1834799879 AWHROQGIXMWULJ-UHFFFAOYSA-N 439.325 -0.552 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1)[C@H](F)Cl 1835079827 VKAYXIMZNKYZQN-AWEZNQCLSA-N 440.867 -0.468 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1837512603 RHDCLBSCVXTLQW-DNVCBOLYSA-N 433.933 -0.642 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838969627 SYVKMPSTCIGJOX-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840183957 JZKRJXODMOCHAN-HXUWFJFHSA-N 436.513 -0.585 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)n1 1840185268 IIERLSVAFCIKMD-OAQYLSRUSA-N 449.508 -0.461 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 731186256 LQOFPPHCUXAIGV-WFASDCNBSA-N 437.478 -0.298 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnc[nH]1)c(=O)n2Cc1ccccc1 750872057 VENMIYJLUACMNR-UHFFFAOYSA-N 436.432 -0.388 50 20 IBGD O=C(CO)NNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 753436594 AUDPJRMCUVJWSU-VIFPVBQESA-N 436.284 -0.340 50 20 IBGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1[N+](=O)[O-] 758057029 UUGXFONQHKGINB-SMDDNHRTSA-N 441.466 -0.407 50 20 IBGD CC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 764234814 ZXMKFCFOPBPLSK-ZDUSSCGKSA-N 425.511 -0.054 50 20 IBGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764424722 KPTWVVOYXLSDGL-HNNXBMFYSA-N 431.405 -0.531 50 20 IBGD O=C(NNC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)N[C@@H]1CCS(=O)(=O)C1 780909012 XVIWSQHESUFFSX-KDOFPFPSSA-N 440.478 -0.411 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1-n1cnnn1 784004408 FWCUWAUJGNDUJP-UHFFFAOYSA-N 428.434 -0.452 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1nccn(C)c1=O 785086352 MOWADCDBDQXZIX-UHFFFAOYSA-N 448.505 -0.157 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1 799983483 GFENDLUTYZGCSF-CABCVRRESA-N 441.510 -0.039 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1C 802068819 QHRWSHWCVNJIGV-UHFFFAOYSA-N 444.495 -0.737 50 20 IBGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1324724033 KLDYAWYUAZPLCC-CYBMUJFWSA-N 430.504 -0.408 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782223454 RFIXRCHJJTWFSS-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1783877707 NPOFWEAHYRIKTJ-CKFHNAJUSA-N 439.900 -0.321 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090783 AYYFYIMBDVISND-IICXDKKESA-N 439.900 -0.826 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)nn1C 1788610619 MNZFAMFVYOFUOH-OWQGQXMQSA-N 441.492 -0.366 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1)C2)c1cccc(B(O)O)c1 1795737568 WQVABYLEWZVVTA-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cn1 1796074706 YDBVMEWBTYSZEK-XRGAULLZSA-N 445.925 -0.571 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccncc1=O)C2 1798442852 KMVRBOCSIGEGFH-BTTYYORXSA-N 425.449 -0.806 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807800800 QAUBDXPOCZHXOT-QFBILLFUSA-N 434.265 -0.179 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1 746642141 VNONLFHQJXRNGY-LBPRGKRZSA-N 433.494 -0.258 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@H](C)O1 754417547 PKALWWOXXGWNJV-CHWSQXEVSA-N 426.495 -0.794 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 758046737 JQDPANCIWGDQOU-SNVBAGLBSA-N 438.553 -0.379 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1OCC(N)=O 763576513 BIXFIKCXMASUDJ-MRXNPFEDSA-N 444.400 -0.515 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c[nH]c3cc(Cl)ccc23)n(C)c1=O 765725933 WNCTWFZZPFLPBN-UHFFFAOYSA-N 443.851 -0.042 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)n(C)c1 778674097 IGFCRTVXAZJWBP-UHFFFAOYSA-N 435.510 -0.257 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)[C@H]3CCc4nncn4C3)cn2)C[C@@H](C)O1 814655090 SHFGBGBKHUAIAL-MJBXVCDLSA-N 445.484 -0.474 50 20 IBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)C2=O)cc1 816881082 YPHDOWYKUFLSRM-ODXCJYRJSA-N 441.448 -0.536 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779643518 PTTHGBAMHPQAHY-AOOMUMSASA-N 429.437 -0.307 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781332418 YIFXSXRQLJROLC-GPCCPHFNSA-N 426.239 -0.429 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1783936275 LTGFKPPCSSFDCL-IBGZPJMESA-N 438.460 -0.401 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784138946 ZNTIFRHMMBIWDS-XFMWISLNSA-N 431.493 -0.320 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785927338 AVCXXGPNAWYQNK-NUTKFTJISA-N 425.449 -0.618 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786937912 WIQWHRCUQOWNIP-RQLFHFPYSA-N 443.464 -0.157 50 20 IBGD COc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979546 WRCSWMIAHVIRGC-SNRMKQJTSA-N 439.277 -0.323 50 20 IBGD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1794697094 DCDWNBCPYIJSIH-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 1797749863 ZRGKBDKOOZDIIT-DPIQGUFMSA-N 426.433 -0.697 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nn1C(F)F 1798675937 JAALZYDOJPLVDH-XOIINTDNSA-N 448.235 -0.217 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)[C@@H]1CCCS1(=O)=O 1800392278 RGQJNDCOCOJNTB-KZZRWZIVSA-N 427.292 -0.156 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1819799420 BZGZVYKDRCFMKD-SECBINFHSA-N 428.430 -0.545 50 20 IBGD C[C@@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1820878367 WVLFYIFZPAGMRR-ABAIWWIYSA-N 428.453 -0.151 50 20 IBGD O=C(/C=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833072946 ZCPYKAKFXIEPLP-XYXUZSOXSA-N 440.261 -0.257 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3ncc[nH]3)CC2)CC1 1834030923 BLLFPZCGZXAAKD-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD Cn1cncc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834243903 DABSEVUWTBHEOC-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835441337 KABXVBZUVKMHEU-SFHVURJKSA-N 448.358 -0.050 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197987 ONXQFQMPRBGHMC-XJKSGUPXSA-N 448.245 -0.154 50 20 IBGD O=C(Cn1ccc(=O)[nH]c1=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 17633495 DIBAMLIFQJCNOI-UHFFFAOYSA-N 446.427 -0.300 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)C[C@@H](C)O1 732261265 BWYJVDGYPFFPDW-GASCZTMLSA-N 430.513 -0.013 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742478340 NAMRFKRBTHBTAJ-HBJVGIJOSA-N 449.489 -0.788 50 20 IBGD CC(C)N(C)S(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 747603041 VHWRILUETLIZBV-UHFFFAOYSA-N 448.567 -0.154 50 20 IBGD COc1ccc(NC(=O)NNC(=O)c2cnccn2)cc1S(=O)(=O)N1CCOCC1 755414195 UKZJUTLGCNTCMB-UHFFFAOYSA-N 436.450 -0.027 50 20 IBGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758046720 JNNWOAPRBNNQMW-OCCSQVGLSA-N 430.552 -0.448 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccnc1N1CCOCC1 763570748 FQPXWZYBVOEXIB-INIZCTEOSA-N 427.417 -0.156 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2)cc1 763738469 ULCQLBBEDXGYKS-UHFFFAOYSA-N 447.473 -0.499 50 20 IBGD C[C@H]1Cc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc2N1S(C)(=O)=O 763823551 CQPGJWXRRJRIIQ-LBPRGKRZSA-N 431.474 -0.017 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N1CCc2ccc(Br)cc21 764000570 YLGPREHICRLHIM-JTQLQIEISA-N 430.280 -0.080 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2cccc(Cl)c2)n1 764226044 DVRJAOUWTITMRZ-SNVBAGLBSA-N 442.885 -0.142 50 20 IBGD CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765727120 JNOCYIUUBHEHAH-IHRRRGAJSA-N 434.497 -0.045 50 20 IBGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)cn1C 767096249 JKFXOVLJPHESOF-UHFFFAOYSA-N 426.524 -0.442 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767352225 CSMJNFGHDMKWKW-RVTLPWGWSA-N 443.456 -0.221 50 20 IBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 768271651 DPHXNLBVXMABAW-YPMHNXCESA-N 434.515 -0.766 50 20 IBGD Cn1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1-c1ccccc1 775542395 KKVTYWPIECQLNW-UHFFFAOYSA-N 436.432 -0.705 50 20 IBGD NC(=O)c1ccc(NCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 786276831 CRWVWEOBPPUGHX-INIZCTEOSA-N 428.401 -0.272 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2)CC1 802035860 MJGVHRDBIJMFOL-UHFFFAOYSA-N 446.489 -0.177 50 20 IBGD COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 811679681 MZRFTRDEGAQJHY-UHFFFAOYSA-N 436.284 -0.001 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028192 GTYCVRNRWCZQIO-BTYIYWSLSA-N 441.492 -0.339 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779506110 XSUUZXWEHUUXJK-IBGZPJMESA-N 445.867 -0.114 50 20 IBGD O=C(CC1(O)CCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782779106 URRCLDMJRGXRLV-WIYYLYMNSA-N 430.310 -0.201 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783396305 LBRRFHVTVUREDS-OAQYLSRUSA-N 447.297 -0.665 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1783937545 UPJWCXVKTPAEAG-HXUWFJFHSA-N 434.497 -0.518 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117181 BRDSFOYXMQNWPD-SJCJKPOMSA-N 428.283 -0.085 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(=O)nc2sccn12 1789135524 QBCHLNGGGRZBHI-IMIFBBOLSA-N 440.909 -0.051 50 20 IBGD Cc1ccncc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732890 PGOCGPRITGTNPE-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738880 LFEKCCXQWOQPEG-ZSBFGKGUSA-N 429.238 -0.982 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1)c1ccc(B(O)O)cc1 1796887525 JBUVUYGXLJPRBU-BCDXTJNWSA-N 449.338 -0.956 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1798440840 YPDAEXQEXSDIPY-CLLJXQQHSA-N 442.436 -0.258 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799344223 COGPYOPPIZHQGC-RMPHRYRLSA-N 444.323 -0.406 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2ccnn2c1 1800024089 MKRDXVFXSMEXSK-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666317 IDAUHSXVZOARTH-SNVBAGLBSA-N 441.477 -0.341 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)CN2CCOCC2)CC1 1826716229 YESVVIASLTVOTL-OAQYLSRUSA-N 443.353 -0.068 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830728188 QCIHVNBERAKXTA-FZKQIMNGSA-N 444.872 -0.632 50 20 IBGD CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833311710 AXXXUCIVSMBJSX-HNNXBMFYSA-N 434.006 -0.358 50 20 IBGD CN(C)CCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837800396 CJFBTOKQEWPPFV-UHFFFAOYSA-N 431.342 -0.070 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840160600 MVLATTHUKSFBII-LMHOGXDRSA-N 437.522 -0.105 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)c1 16594221 RFBQARPRJKZWBB-UHFFFAOYSA-N 430.446 -0.497 50 20 IBGD CCc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnc2ncnn12 728323535 HIIVWQIIOANDCP-HNNXBMFYSA-N 426.389 -0.169 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732235742 IQUHLDAQTJSGRM-AWEZNQCLSA-N 444.510 -0.107 50 20 IBGD O=C(NNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 733255357 SBZCOYRREKFYEM-IRXDYDNUSA-N 445.501 -0.060 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 742449493 SNHYFUXKDKYZKW-UHFFFAOYSA-N 429.458 -0.034 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1C 745976136 DTRBBHNZBFFTFA-UHFFFAOYSA-N 444.491 -0.315 50 20 IBGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(=O)COC 764302320 BUBCUWDRRJATGF-UHFFFAOYSA-N 430.483 -0.152 50 20 IBGD Cn1nc(SCC(=O)NN=C2CCOc3c2cc(F)cc3[N+](=O)[O-])c(=O)n(C)c1=O 783820727 IKZIULXLCXSWLJ-UHFFFAOYSA-N 438.397 -0.079 50 20 IBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1C 808069407 VXZHUASXHUUWJD-OAHLLOKOSA-N 437.430 -0.080 50 20 IBGD O=C1NC(=O)C(=NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C(=O)N1 814214114 SJARRWOWLMMZCG-UHFFFAOYSA-N 429.414 -0.383 50 20 IBGD O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[C@@H](B(O)O)C1 864234408 RJYJIMFAVOHVIF-CYBMUJFWSA-N 437.283 -0.156 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 915880280 DNTMIRRADVXLIG-ZDUSSCGKSA-N 432.524 -0.152 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777955368 UFNJHISSAHXQPL-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1779546454 ZGUJIVDTYHBQRO-YLJYHZDGSA-N 445.633 -0.362 50 20 IBGD CC(C)c1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783933625 SGFOXBAIOCZMHJ-FQEVSTJZSA-N 436.513 -0.062 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3S)C[C@@H]21)c1cccc(B(O)O)c1 1786981877 DSGGZBZDPAYICQ-WBAXXEDZSA-N 441.318 -0.043 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793369370 GCAJBKQVONGUEO-RMPHRYRLSA-N 429.308 -0.053 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1F)C2)c1ccc(B(O)O)cc1 1795737165 ZIGHCXXVFGTCCX-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc2ccccn12 1796845033 FKWJTJBQEGWRHC-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797587217 FZTNNCBHKQTYHR-KNDBQHFLSA-N 426.239 -0.669 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccc1F 1798303289 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DOZVVGSKOJWKFJ-FQEVSTJZSA-N 430.291 -0.188 50 20 IBGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1837457122 XXZUNRONKKJLKF-OAQYLSRUSA-N 431.493 -0.055 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)n1 1838674788 WVTOZHLNHDFQTK-NRFANRHFSA-N 449.508 -0.461 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839961814 JQWQVXVHJRGLPD-SUMWQHHRSA-N 449.346 -0.113 50 20 IBGD C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725872584 PCCWHESTVBQGTK-HNNXBMFYSA-N 434.497 -0.231 50 20 IBGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)s1 726088915 RMWFPQMJKASFAF-UHFFFAOYSA-N 431.521 -0.022 50 20 IBGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 743253328 BGMRBUHDQZRWAJ-NSHDSACASA-N 429.480 -0.440 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1COCCO1 744649209 FYXBNAYNPZLAAK-ZIAGYGMSSA-N 428.423 -0.689 50 20 IBGD Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)C(=O)NC(C)C 761834636 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-0.188 50 20 IBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 811480022 QHKJIANHBMIHDE-UHFFFAOYSA-N 445.457 -0.090 50 20 IBGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814330023 IPEHHSCMRYUPIT-KBPBESRZSA-N 435.510 -0.072 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 816880062 BPWPRCWKQUITSU-LSDHHAIUSA-N 448.505 -0.241 50 20 IBGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 917727320 FAIOZWKJMFWLAW-UHFFFAOYSA-N 432.418 -0.163 50 20 IBGD COc1cccc(/C=C(/C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 920744767 FEMRJSXOZGUFDO-GRRFOWRYSA-N 435.466 -0.494 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1 1321920935 PDYJGOMMIQBUPY-OAHLLOKOSA-N 449.537 -0.042 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779250186 CFDJYCUNVAMDLZ-BTYIYWSLSA-N 431.298 -0.885 50 20 IBGD CCc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1779831634 ILAZSSBQVPFMMK-NRFANRHFSA-N 441.492 -0.262 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780126455 FJKDIOQPSHDWLX-FOIQADDNSA-N 434.497 -0.730 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780771525 JVBVUKFYJBZPRC-LRQBHLAOSA-N 437.310 -0.216 50 20 IBGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)co1 1786058457 KULOSZUOSSWMQA-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21 1788611426 BCQKSILBECCIFN-XEGUGMAKSA-N 431.478 -0.556 50 20 IBGD O=C1CN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)C(=O)N1 1789922356 KWNLTGQYCUKORY-AVWBDOJWSA-N 435.250 -0.792 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1791254420 SWXJCLZGGXERAT-TXTZMMAHSA-N 430.977 -0.144 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1792872103 MBADGUBALSXVQG-OVZMXSCWSA-N 428.283 -0.468 50 20 IBGD COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1F 1794363688 WXIGUHIMCXCDOX-JLVBRIDZSA-N 443.240 -0.574 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cccc(B(O)O)c1 1795737516 QBXZESHJKFDTEH-YWVIFJGQSA-N 425.088 -0.645 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)(Cl)Cl)C2)c1cccc(B(O)O)c1 1795740518 DKEYFSMENQJXJU-PTEHBNRSSA-N 435.500 -0.060 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440704 KNTDZVZXYIBDNI-FQLMCAECSA-N 437.946 -0.745 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C(F)F 1796705152 GQCAOJCSPLEWFZ-DRXBFXEBSA-N 442.467 -0.066 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1ccnc1 1797748738 ZCEATUXLIGCIGB-ZJOBFFGXSA-N 427.465 -0.654 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800233832 WLYWIYHHXVMQGU-VWPFQQQWSA-N 428.486 -0.489 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1801011553 NMGCFTVKLZTGBQ-VPTLXERWSA-N 443.504 -0.243 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCN1 1826216429 OZTRDWGUPHWKRA-GXTWGEPZSA-N 442.306 -0.425 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1830538044 UMXJRVVJWYGTKX-IIYDPXPESA-N 449.346 -0.933 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312300 KULJVRHYGGNINT-IAGOWNOFSA-N 432.949 -0.691 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1836764111 CBQUBIQPDFMGTD-FUHWJXTLSA-N 434.896 -0.859 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837767853 NPSNBDYEQLGJJS-ACJLOTCBSA-N 449.838 -0.087 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837883925 VWCSVLCPAWHCKF-HZPDHXFCSA-N 432.949 -0.168 50 20 IBGD CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 748128976 JXMWBFYWLSYIFT-UHFFFAOYSA-N 426.476 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-0.690 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2c(c1)COC2 1797013447 SGORJUDIXPJPAE-CEQLMSFQSA-N 436.273 -0.086 50 20 IBGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)on1 1798717607 OIMUDZLWOVHMHR-CCWDJLKJSA-N 427.266 -0.005 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nc2nccn12 1799991689 BDAKTMFACPGJJH-CCWDJLKJSA-N 443.508 -0.386 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3c1)C2 1801013020 PYWAOPMECMMICV-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]1(F)Cl 1801089887 PHEYGIRFYNTALQ-KRYNJSQMSA-N 425.848 -0.187 50 20 IBGD O=C(CCn1ccnn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813431516 QMJISIYNZNUQQX-NQIIRXRSSA-N 448.292 -0.237 50 20 IBGD O=C(CCn1ccnn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361697 NFVHTQLDDACUPQ-AWEZNQCLSA-N 440.294 -0.270 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1)c1cccc(B(O)O)c1 1821470412 MNLCKNBZWLBPEJ-LBPRGKRZSA-N 439.262 -0.554 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733424 LVKHQIBNTUTBQY-HNAYVOBHSA-N 425.869 -0.545 50 20 IBGD N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1835344756 SLSNCTHVTVRHEX-FQEVSTJZSA-N 428.449 -0.941 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835840053 AFCBDJJBSDWCEN-IAGOWNOFSA-N 432.949 -0.691 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840033740 OMTLNGWJVWEULK-BZNIZROVSA-N 445.318 -0.441 50 20 IBGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190592 CVDXYDVJXUHNSD-CYBMUJFWSA-N 436.214 -0.075 50 20 IBGD O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)[C@@H](O)CCl)C4)n2)CCCN1 1842304590 RBOGUZMWRKRQLZ-HNNXBMFYSA-N 435.912 -0.175 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc(C(=O)OC)nn2)c1 747348139 CDGBYNGFNYSIFG-UHFFFAOYSA-N 438.466 -0.444 50 20 IBGD CC1(Cn2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nn2)COC1 759768317 GUPCVLZHSRFZJC-HNNXBMFYSA-N 431.405 -0.541 50 20 IBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 763440967 OYXSDCUKBHWMKM-GFCCVEGCSA-N 440.478 -0.244 50 20 IBGD CCCCN1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc21 764234387 XVFGZQFLFKVTFD-LBPRGKRZSA-N 425.511 -0.127 50 20 IBGD O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NNC(=O)C(=O)NC1CC1 789308757 FVTRWKBYAPXKLW-CQSZACIVSA-N 435.456 -0.548 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 825776341 GTJGHFXYHDJLDC-CYBMUJFWSA-N 437.478 -0.580 50 20 IBGD COCCN(C)CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916582123 LGYBAZTUQAMJFK-UHFFFAOYSA-N 443.574 -0.388 50 20 IBGD Cn1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779033627 AHNBFPNXZHCHRA-HXUWFJFHSA-N 427.465 -0.895 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784499951 OEDYJLRFKUXBCV-YCRPNKLZSA-N 441.492 -0.339 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n(C)n1 1786026280 VXAVLOLKRNHAQW-IEZWGBDMSA-N 426.282 -0.685 50 20 IBGD COc1cccnc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794033152 GXVHSPGKBGKWHN-MFKICJERSA-N 447.536 -0.015 50 20 IBGD C[C@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800190413 CWRLGMRPYKZWCB-KBMWQNTOSA-N 437.305 -0.157 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361609 BSAUUEMDCRRAKC-QFBILLFUSA-N 445.306 -0.874 50 20 IBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808235124 XISKIGFJRKXCCW-JTDSTZFVSA-N 447.540 -0.093 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cnnn2C)[C@@H]1c1cccnc1 1813070036 DKLSEYVRAZMHBN-DNVCBOLYSA-N 428.497 -0.097 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829953618 JTURRKREXKOQIC-KXBFYZLASA-N 427.574 -0.180 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927535 RQBDTQCPSJWXPQ-SIKLNZKXSA-N 446.309 -0.604 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1835940011 SOSHYZNONHQGPI-PXNSSMCTSA-N 434.323 -0.668 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457008 VRIJKXFVZRFDQC-HRAATJIYSA-N 449.508 -0.838 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838818695 NLFJWDUTPBHHAD-JOCHJYFZSA-N 441.293 -0.603 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccc1 1840185261 NHKVVWPEZXVHDF-UWJYYQICSA-N 435.525 -0.122 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)N1CCN(C)CC1 1840189521 WFPLVGKDVFHDLY-KSSFIOAISA-N 437.368 -0.118 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1840244277 AEDUTISPDNGHNO-ZYSHUDEJSA-N 440.664 -0.639 50 20 IBGD COc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1OC 725878542 ROTLXYBNWCWLSD-UHFFFAOYSA-N 425.467 -0.125 50 20 IBGD C[C@H]1CN(Cc2csc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)C[C@@H](C)O1 755474829 PWPRRRNPQWOERE-AXFHLTTASA-N 434.544 -0.157 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 756206807 ODNWTIHLWFDKHV-BXUZGUMPSA-N 426.499 -0.773 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 763813296 KIXXTNDOKHXJQB-UHFFFAOYSA-N 441.448 -0.748 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 764231360 OVODFJQJJVAJNS-JTQLQIEISA-N 447.464 -0.021 50 20 IBGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783998875 HVUCWSQJSUMTBK-UHFFFAOYSA-N 431.449 -0.218 50 20 IBGD O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 800045033 YKRJBAWSDNPTQC-AWEZNQCLSA-N 446.416 -0.618 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1C 817216185 OBAMYUOCHQKBGY-LSDHHAIUSA-N 426.495 -0.458 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 1317717555 ZCGHILOYDSEGNG-LLVKDONJSA-N 434.565 -0.031 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncn2)C1 1778156338 LJQYFWSFRHSUQW-DYESRHJHSA-N 439.476 -0.084 50 20 IBGD CC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968602 CDSXPYXNQIICFL-NRFANRHFSA-N 431.493 -0.249 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)c(=O)nc1O 1781333942 IGVMPPOFDXTIMK-WBMJQRKESA-N 447.261 -0.222 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C1(O)CCC1 1783511410 DOSSYLRWDUDHRF-USJZOSNVSA-N 445.520 -0.171 50 20 IBGD CNc1nsnc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932790 FJZQDAWWXCVJPS-QGZVFWFLSA-N 425.515 -0.604 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csc(N)n3)[C@H]2C1 1786913581 CWJHFXXDELDYGO-XEGUGMAKSA-N 445.505 -0.369 50 20 IBGD Nc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786979913 NRKMKMTTXUISHG-QEJZJMRPSA-N 430.295 -0.688 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982677 CWASASUWMPMQGZ-FFGOWVMKSA-N 429.326 -0.556 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C[C@@H]21)c1ccc(B(O)O)cc1 1786983936 XBJDHEYRBSNLFM-RHNZQBAGSA-N 428.319 -0.165 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788516918 SETLVSJDDDFWSZ-KZYORJDKSA-N 435.569 -0.321 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1788610280 VVYUOJXMAJDIQX-WBAXXEDZSA-N 440.460 -0.774 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(O)c1)C2)c1cccc(B(O)O)c1 1795740895 MJFFVRVKMZVVLF-OPMZPASUSA-N 438.289 -0.092 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CN 1796339887 YFFIYQPQAFSQKE-RBNVPPIJSA-N 435.437 -0.991 50 20 IBGD O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1807024412 UFODLMQYSPQQQQ-YDHLFZDLSA-N 434.817 -0.588 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363156 BRTHLKXIHGLHAI-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD O=C(Cn1ccncc1=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980145 JIPUVNCPJQBSKY-UHFFFAOYSA-N 438.293 -0.532 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1819801048 YIDKVCHSOVDXEE-NXEZZACHSA-N 443.489 -0.497 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1c[nH]c(=O)cn1 1820246891 SWUSSYCUMFDZHB-INIZCTEOSA-N 436.237 -0.208 50 20 IBGD CN[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1826940154 DXTGMTNNNWUJPW-RBUKOAKNSA-N 445.325 -0.338 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1 1830732881 XSGYEPSVGRDYAU-KDOFPFPSSA-N 429.905 -0.297 50 20 IBGD O=C(c1ccccc1-n1nccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830734008 YOCYTKVPYSGPQP-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736991 CBSYXYGGXWOJSI-YZVOILCLSA-N 427.885 -0.095 50 20 IBGD CC(C)(C)NCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834697555 GGGGWRZYOAYXCN-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640064 ILRFCVRZLKTQPR-DYVFJYSZSA-N 446.346 -0.544 50 20 IBGD O=C(c1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935016 BVUOVCYJPRPIMJ-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD CCc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1835938152 NKDMSHZDDUIMBK-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457982 ZQXXUAXNKOVRQW-FQEVSTJZSA-N 443.464 -0.900 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839151875 GOBQMOPINKBNPM-ZLIFDBKOSA-N 439.340 -0.728 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840152433 HXZIFSRGKYANIN-HNAYVOBHSA-N 444.916 -0.147 50 20 IBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)N1 1843365985 VFNXALMSQBZMKR-LOWVWBTDSA-N 432.905 -0.096 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307237 DZDWHURLWXQYMH-VIFPVBQESA-N 425.435 -0.785 50 20 IBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619074 GUZNFEHRHUFBOL-UHFFFAOYSA-N 437.434 -0.079 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760361828 AYRMFGQBDLIKFN-LURJTMIESA-N 445.273 -0.396 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1OCC(N)=O 763840478 LRIZBMVCUJQQAP-UHFFFAOYSA-N 434.380 -0.137 50 20 IBGD CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766642541 HAGZFMJKUZUHRU-UHFFFAOYSA-N 427.421 -0.838 50 20 IBGD COCc1noc(CN2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 781958910 YVHCHZVVRCAOEF-UHFFFAOYSA-N 433.425 -0.297 50 20 IBGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)COc1ccccc1O)C(F)(F)F 805769139 LGVHHOKBTMLTEQ-NSHDSACASA-N 428.389 -0.076 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(C2CCOCC2)nn1 810594058 SACIIABEPSRQCY-UHFFFAOYSA-N 441.492 -0.151 50 20 IBGD O=C1CC[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1 915808437 QLPJMGZFSKUIAR-HNNXBMFYSA-N 438.506 -0.686 50 20 IBGD Cn1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 1322380636 GSUJKDYGWRZJPC-UHFFFAOYSA-N 429.480 -0.936 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1781268316 NCROZGJDEJWCKL-OAQYLSRUSA-N 430.266 -0.681 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785442310 FVYNNZFZGRHKKS-LAUBAEHRSA-N 446.508 -0.567 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787085177 GVZOHEXDSQMZCA-RPIBGLMYSA-N 442.480 -0.608 50 20 IBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1SC(=N)NC1=O 1796191090 YLSPOXKCMCCYKA-IRHMCKRBSA-N 444.322 -0.579 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797975805 BEYXLAZVHKTUAY-IHSNIMORSA-N 432.525 -0.155 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800284938 IGBSBIHRYOADMY-ZWUHOBOKSA-N 442.856 -0.400 50 20 IBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1803478732 CPJFUMVDIHQWMF-LIRRHRJNSA-N 439.476 -0.464 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1820140593 LWFJTRPHUAWJKQ-RISCZKNCSA-N 442.306 -0.261 50 20 IBGD O=C(CCn1cncn1)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826605938 QNDXXDGBFWJHGC-CQSZACIVSA-N 440.294 -0.270 50 20 IBGD O=C(Cn1nccn1)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056100 AVERZJUITDHAKU-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C1Cc2cccc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c2N1 1830734930 AWLHCZZWICHERU-FOIQADDNSA-N 437.880 -0.149 50 20 IBGD Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1833016345 ALCJLFAGGOSLPO-DYVFJYSZSA-N 432.930 -0.165 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCCC3)C2)C1 1837456220 FSSOKURXQREHST-OAQYLSRUSA-N 429.477 -0.135 50 20 IBGD O=C(Cc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839058824 XKKYZQILWGWMMQ-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 728383656 CSIVBILVHAFCAF-VXGBXAGGSA-N 425.463 -0.361 50 20 IBGD O=C(Cc1cccnc1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 728855794 CGBUESWOJAHTMU-UHFFFAOYSA-N 440.503 -0.345 50 20 IBGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n(C)c2)C1 730165901 MOSBJXOSOHBHJK-OLZOCXBDSA-N 446.551 -0.359 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)c2cn(CC(N)=O)nn2)c2ccccc2c1=O 742477822 UWUKZZQMHBOGSS-UHFFFAOYSA-N 426.437 -0.262 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 783891417 XJBYQJQQMIWSCW-VIFPVBQESA-N 430.487 -0.598 50 20 IBGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)Cn1ccc3ccccc31)C2 786118570 XAIBOTPFIWLRJY-UHFFFAOYSA-N 440.464 -0.656 50 20 IBGD COc1ccc2c(c1NC(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CCC2 792453943 CFPRELVMAFATPF-UHFFFAOYSA-N 441.448 -0.216 50 20 IBGD COc1nccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 801725280 LUUYBQLYMNPATD-UHFFFAOYSA-N 436.450 -0.027 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 807381308 NNHHQCYIKZVRLF-SKHCZCESSA-N 428.493 -0.222 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 811399034 KPYOVPODNUMYEQ-UHFFFAOYSA-N 430.483 -0.140 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@](C)(O)C3CCC3)CC2)cc1 813488374 SWZQZSMHFPRMSM-HXUWFJFHSA-N 438.550 0.000 50 20 IBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCc2nncn2C1)/N=C1/NS(=O)(=O)c2ccccc21 816871761 SMCRZMDWJJRCBQ-NEPJUHHUSA-N 431.478 -0.495 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816886102 PLTUNAGHVOJHGS-OLZOCXBDSA-N 435.485 -0.496 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 845927620 WSKSPNUZIMHGJK-BNBDDXAPSA-N 442.384 -0.294 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCOCC2)o1 914708955 KMDXXYYMFJPZTH-OAHLLOKOSA-N 437.430 -0.099 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)n3ccnc3)CC2)cc1 1253116132 OGNMFOQSJVWRFO-MRXNPFEDSA-N 434.522 -0.094 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778567684 IMNYBEWBHWSOKP-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1779029417 XEMBNSBXLSZDLQ-HXUWFJFHSA-N 425.449 -0.839 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccncc3F)CCO2)C1 1779029897 BBGNXHIWKHHILG-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779258479 XGYORDOQXOXIGE-QKKBWIMNSA-N 446.508 -0.567 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1779531124 YTGZZEPPQLKRCB-YBOAYWMSSA-N 443.309 -0.815 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062760 QGMITRIKHDYCMG-BFUOFWGJSA-N 435.868 -0.213 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785845714 LKWSIYIEPHTNIT-PJODQICGSA-N 441.448 -0.912 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985208 QSBQYVJFHHCHTO-LGYWMIHWSA-N 445.369 -0.062 50 20 IBGD Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c2ccccc21 1792981665 OSIARZUUDLDXGY-ZDFLXESQSA-N 436.896 -0.471 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2)c1ccc(B(O)O)cc1 1795734238 KUGLRXUDCXKHBP-CWPLJXCYSA-N 438.293 -0.584 50 20 IBGD CN(C)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737412 YSESHYLWVWMNQC-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2)c1cccc(B(O)O)c1 1795739220 RERQWNORDUOVMU-XOIINTDNSA-N 440.290 -0.407 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1c(F)cncc1F 1798239982 ZSWIHITYZODLNB-IVWMJMPLSA-N 431.204 -0.443 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1798524838 MORFZQRBCAJYIQ-GNTLTTKYSA-N 448.432 -0.142 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CCC2 1799963776 NMGMVBIXJBVZBR-IVWMJMPLSA-N 439.476 -0.655 50 20 IBGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800981547 PAPAGBZVAWRRCI-KYHPRHEASA-N 436.933 -0.101 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cncn1 1807367981 PCYRLMKMRLRROP-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374783 NCCWOTDGOLYEDR-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD O=C(CN1CCOC1=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815024895 KRPWDJPFRGUNJS-INIZCTEOSA-N 441.253 -0.152 50 20 IBGD CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834821560 MTICMCSVYZOTTC-GOSISDBHSA-N 447.374 -0.525 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413602 HBIYROUDAIAFOI-DYVFJYSZSA-N 432.315 -0.151 50 20 IBGD O=C1Cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc2N1 1836784697 NIQQGYPSQRRCJG-UZLBHIALSA-N 437.880 -0.149 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1837512602 RHDCLBSCVXTLQW-BEFAXECRSA-N 433.933 -0.642 50 20 IBGD O=C(Cn1nccn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921396 GZFCVLICGNUHPB-UHFFFAOYSA-N 441.297 -0.730 50 20 IBGD CC(C)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840625616 YBCRWUOSBFNSLT-YEFOHOTDSA-N 431.493 -0.033 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9930646 ATPSZQYXKAFSFN-MRVPVSSYSA-N 444.318 -0.146 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 734240838 VBYPUKZWBKRDIS-UHFFFAOYSA-N 441.466 -0.314 50 20 IBGD COCCOCCS(=O)(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 754743270 BPZXSZXYLHOUSA-UHFFFAOYSA-N 435.524 -0.302 50 20 IBGD CCNC(=O)N(C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760496158 MJADQYYBGQTOCR-GFCCVEGCSA-N 443.482 -0.937 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)c1 760799143 LOHZIOKUSCVULI-UHFFFAOYSA-N 444.473 -0.104 50 20 IBGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764155254 XGHMUTXJHMOSKY-INIZCTEOSA-N 440.412 -0.321 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CCN2CCCC2)c1 764231719 PEWKZDMGYLQPLY-ZDUSSCGKSA-N 425.511 -0.652 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2SCCc3ccccc32)n(C)c1=O 766643000 ILOFBEYIXIZYEE-HNNXBMFYSA-N 428.474 -0.388 50 20 IBGD Nc1nc(Cl)cc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 779375565 YHNBETQKFTULLC-UHFFFAOYSA-N 425.858 -0.410 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cnc[nH]3)CC2)cc1 793675351 NNSZWSMQDAWKMZ-UHFFFAOYSA-N 434.522 -0.195 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3([S@](C)=O)CCC3)nc2)CC1 798121203 VJJPUFIOWFTXAG-NDEPHWFRSA-N 444.583 -0.055 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 920297356 CEEGAIYGXFLIAT-UONOGXRCSA-N 446.551 -0.519 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCOC2)C1 1782694243 AHLOZUJBUOCMAT-AVBTWRTFSA-N 431.493 -0.151 50 20 IBGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783520789 OEDZWVZXCGEYKY-QEJZJMRPSA-N 445.310 -0.833 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1783882130 OFHLKOFOVGZYNH-DJJJIMSYSA-N 435.868 -0.213 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccccc1=O 1783935074 NOYGBTMNDJRMNV-KKSFZXQISA-N 433.509 -0.388 50 20 IBGD O=C(CCc1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787023489 LWLANATWBNTGKA-VDGAXYAQSA-N 425.294 -0.079 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791255259 IUQKQULHLFHEOP-KSYCFECVSA-N 439.900 -0.468 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1792872308 YSFCNRKKQOJNAX-NFFDBFGFSA-N 433.347 -0.020 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1Cl)C2)c1cccc(B(O)O)c1 1795737290 PNIBFAIFJANZLN-HGKCTWBKSA-N 443.696 -0.139 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)[nH]n1)C2 1796442135 SDEAEAQFRGQAAE-IHHIPJHASA-N 441.492 -0.016 50 20 IBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1799274772 HUAKEYFYXBDQKO-QPPBUOOMSA-N 432.241 -0.463 50 20 IBGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CC1 1799346737 ZHVHSHXXQFDQDA-XRGAULLZSA-N 435.338 -0.096 50 20 IBGD C[C@@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800991 WNZQPGWESLNZGY-NXEZZACHSA-N 431.478 -0.498 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)CCN1 1826216436 OZTRDWGUPHWKRA-JSGCOSHPSA-N 442.306 -0.425 50 20 IBGD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)CCN1 1826216519 QSIBZVILWNUYKP-JSGCOSHPSA-N 442.306 -0.425 50 20 IBGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1830727733 CREILTWOLSJJSS-LVCYWYKZSA-N 437.924 -0.243 50 20 IBGD CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1834821562 MTICMCSVYZOTTC-SFHVURJKSA-N 447.374 -0.525 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927887 ZRVHVHSIISKDEU-IIBYNOLFSA-N 432.282 -0.973 50 20 IBGD COCCOCCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 728752920 UUJWRYPPEHALHC-UHFFFAOYSA-N 430.531 -0.303 50 20 IBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)ccc21 735686966 IZFVTFHGRBHCKX-HUUCEWRRSA-N 445.520 -0.028 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C(F)(F)F)c1 764232130 RKSFBZLLVVMDER-ZETCQYMHSA-N 426.373 -0.262 50 20 IBGD O=C(Cn1nc(C(=O)NNC(=O)c2ccccc2)ccc1=O)NNC(=O)c1ccccc1 778280922 LNCYVMLXFVOIKX-UHFFFAOYSA-N 434.412 -0.221 50 20 IBGD COCCNS(=O)(=O)c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 916649880 VSXZEEZHDPTBFF-INIZCTEOSA-N 434.540 -0.508 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777983272 VMNHXHAYTBQWCA-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(O)n1 1779032808 VZHPKPFVHGCGHY-OAQYLSRUSA-N 440.460 -0.149 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1779034655 RKSJKGAPRXLTPM-ZGTHZTNPSA-N 425.449 -0.435 50 20 IBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)n(C)n1 1779623890 TXASEVUSMKGDRR-OAQYLSRUSA-N 441.492 -0.262 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783355693 XDALRKPYJPZYBL-RHSMWYFYSA-N 436.347 -0.724 50 20 IBGD Cc1nc(N)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750426 BYHOQWVTMKLQAY-GNXNZQSNSA-N 445.505 -0.451 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372963 LICSFBYHXFTEGM-PXNSSMCTSA-N 427.266 -0.910 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829831485 MAGILHQVSFKMHB-UYAOXDASSA-N 438.481 -0.858 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025648 HQCJFVWTAAUGKX-IFXJQAMLSA-N 427.885 -0.225 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837727424 KHQBHSIXKJLTPH-BEFAXECRSA-N 433.933 -0.141 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837802914 LIEHTODAJTZBCE-NRFANRHFSA-N 442.281 -0.910 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840153771 ZCNAFPQLBVUBGO-KSSFIOAISA-N 433.889 -0.461 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840575441 GSALAVQAKVDPJI-YLJYHZDGSA-N 434.323 -0.668 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840590748 VSBFZNDDDWWHLZ-LAUBAEHRSA-N 440.541 -0.368 50 20 IBGD O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)[C@@H](O)CCl)C3)n2)CCCN1 1841349695 HSHNSGNQODHBFS-HNNXBMFYSA-N 435.912 -0.175 50 20 IBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 728383653 CSIVBILVHAFCAF-NEPJUHHUSA-N 425.463 -0.361 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)Cc2ccccn2)cc1[C@@]1(C)NC(=O)NC1=O 729664633 SXLDXLGVTGOJFN-GOSISDBHSA-N 433.446 -0.303 50 20 IBGD O=C(NNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 733255355 SBZCOYRREKFYEM-DLBZAZTESA-N 445.501 -0.060 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 758035220 KHCWKGTZUULWKT-LLVKDONJSA-N 447.477 -0.461 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Br)cc1-n1cncn1 758042793 BAHONXSTDNTPFB-MRVPVSSYSA-N 431.272 -0.272 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764325068 CHEAYVLMPLVKQB-UHFFFAOYSA-N 438.506 -0.066 50 20 IBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(F)c1 797369019 MFNXNNZWQOKSBG-UHFFFAOYSA-N 431.380 -0.063 50 20 IBGD COc1cccc(C[C@@H](C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n2nnnc2C)c1 816878571 URQCRLXZKVCFGW-ZBFHGGJFSA-N 425.453 -0.225 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1Cl 915789140 QOJNXZMDGSLHNN-QWRGUYRKSA-N 442.881 -0.076 50 20 IBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884002 HDZALLOXISWWCB-NSHDSACASA-N 443.507 -0.977 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1 1782176015 UJJBTRLRCIIJBE-HOPMXRPOSA-N 435.905 -0.181 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1cncn1 1782214437 QNBLATPNYGKRFN-RZQQEMMASA-N 435.529 -0.274 50 20 IBGD COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782395525 YTDADSDPCVAGPF-FOIQADDNSA-N 448.480 -0.831 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cn2ncccc2n1 1788015495 QPYOZPMVANCVPR-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788488396 VORJZPGKJNUBSM-NGODJESCSA-N 436.339 -0.882 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1788765973 YABBGIYVMBDFQY-XUXIUFHCSA-N 426.546 -0.584 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789926424 XIUYTRMMHJOWEZ-HTVCTNPSSA-N 438.294 -0.192 50 20 IBGD CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)N(CC)CC 1793457100 DRSPEWYQHVQFPO-PIKOESSRSA-N 431.342 -0.310 50 20 IBGD Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1F 1795737252 KUANLUFAVZVROC-XOIINTDNSA-N 430.245 -0.936 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2cccn2cn1 1797100329 UIULGOGSDHBWCQ-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)c(F)c1 1799545522 RHIQGERFTIKMBO-CCWDJLKJSA-N 428.225 -0.272 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1[C@H]3COC[C@H]31)CC2)c1cccc(B(O)O)c1 1815361377 BJFIDLPFBCLSAS-WVZRYYJFSA-N 427.291 -0.059 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832024680 NBJJLPGIQGONBC-LIRRHRJNSA-N 443.884 -0.988 50 20 IBGD Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834065650 MFOVKSBFWHJCHY-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1834819831 YMCOSEWFTPJJJV-INIZCTEOSA-N 434.287 -0.320 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823064 HFQTZGYUFNUGON-DYVFJYSZSA-N 449.346 -0.065 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456488 NHAZKMAMWVEOLZ-OXTHUFEASA-N 449.508 -0.838 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197306 PWLBDRKMIGNCSL-DOMZBBRYSA-N 439.282 -0.596 50 20 IBGD O=C(CN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202312 AIGOAWWSDVZJKU-HOCLYGCPSA-N 448.245 -0.942 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840030543 PADCRHSFFQBKPG-GDZNZVCISA-N 432.315 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1846385493 NARFOBCWDLZLBT-UHFFFAOYSA-N 448.549 -0.532 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)ccc2O)cn1C 743730396 WQKLLCJKJCSCRZ-UHFFFAOYSA-N 446.283 -0.064 50 20 IBGD O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NNC(=O)C(=O)N1CCCC1 750335920 ULWHLUCNDXDZMA-UHFFFAOYSA-N 436.900 -0.059 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccnc(OC3CCC3)c2)n(C)c1=O 761952297 FJJUOZAPGUNWOS-UHFFFAOYSA-N 427.421 -0.779 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1-c1ccccc1 765721936 PRVWWFYXCVKZAI-UHFFFAOYSA-N 436.432 -0.611 50 20 IBGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1F 784000216 QIAAQLOFYLINOQ-UHFFFAOYSA-N 432.416 -0.232 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785661715 NLARZKGYDMEJNT-SFHVURJKSA-N 446.504 -0.591 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812730207 CGXNZEDVTRMIIM-UHFFFAOYSA-N 431.496 -0.037 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccc(C(N)=O)c3)nc2)CC1 916480216 IOVOKXMUMUEZFQ-UHFFFAOYSA-N 447.521 -0.057 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cn1 919130173 FDNKEUNVNFZNQT-UHFFFAOYSA-N 429.842 -0.644 50 20 IBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)O1 1320617917 LDABDPIMZGYCRZ-YPMHNXCESA-N 426.499 -0.441 50 20 IBGD CNC(=O)c1cccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1 1322600014 GPUJYQQHCMOEHX-UHFFFAOYSA-N 433.494 -0.471 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3F)C2)C1 1781662049 VFTWKVPJGLJEST-NRFANRHFSA-N 428.225 -0.032 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783533481 XJXHEYJHSRIDCK-ZWNOBZJWSA-N 428.220 -0.676 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978618 DOIGRUNATYJFJR-OYSPMZIOSA-N 428.250 -0.714 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984975 FQUSTAWWQBZPFA-KCMWZYNZSA-N 448.281 -0.479 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1792868996 XXRJRKPQQUYFAI-BZNQNGANSA-N 431.287 -0.795 50 20 IBGD Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978310 POUIEXAYTSEZIY-RBLKWDMZSA-N 435.706 -0.015 50 20 IBGD O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795758794 ZFTGDGNKYRWQNU-ZSBFGKGUSA-N 432.673 -0.880 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827189049 WHAHLCRMOQDTOD-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830724691 APEOGMSIMSIKLA-SCLBCKFNSA-N 430.889 -0.208 50 20 IBGD O=C(Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731170 IILCCEFDWAFCPE-KSSFIOAISA-N 426.857 -0.924 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731229 ICVUNDCPYDFNPD-OXQOHEQNSA-N 449.895 -0.063 50 20 IBGD CN1CCN(CCC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CC1 1833309432 UOZNZNXVWAMQJZ-IBGZPJMESA-N 444.020 -0.205 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833315995 MKJCLNUGDAIGDR-KUHUBIRLSA-N 440.884 -0.496 50 20 IBGD Cn1ccnc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834269592 WSIYHUIAJKAANW-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnccn3)CC2)CC1)c1cccc(B(O)O)c1 1834801223 VBUXZXPODQLHGV-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837735884 CDODHYJFEBBMCI-LRDDRELGSA-N 426.297 -0.602 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840150555 NGJKWJGKLHDICK-BEFAXECRSA-N 427.885 -0.291 50 20 IBGD Cn1c(=O)n(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c2ccccc21 1843014025 OZMFGPLSSPLCGA-UHFFFAOYSA-N 448.288 -0.463 50 20 IBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCc3ccccc3O)cc2)CCN1 730033847 WWYHGSDVWSMTLT-UHFFFAOYSA-N 446.485 -0.094 50 20 IBGD C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 734365926 YEIMLMKAKDELOT-ZDUSSCGKSA-N 431.522 -0.020 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 756094270 JTRCRUTZJXSZTN-UHFFFAOYSA-N 428.496 -0.718 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC2 763454404 JPPKIJGMVAIKFF-UHFFFAOYSA-N 447.429 -0.147 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1 763881247 MNUJSPFIMZFROH-UHFFFAOYSA-N 434.478 -0.273 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978577 ASLXOMQCEWJWLH-KFWWJZLASA-N 448.476 -0.779 50 20 IBGD COCC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 810346250 IRUCPXUCQUOODY-GFCCVEGCSA-N 436.531 -0.265 50 20 IBGD C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)C[C@@H](C)O1 914789270 ZBKOJBKVBLOZDC-HZPDHXFCSA-N 439.538 -0.581 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCC(=O)NC3CC3)nc2)CC1 916577527 JHJLHYJHUVSSKV-UHFFFAOYSA-N 439.542 -0.297 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1786979732 OHLIPCTZYNZFDM-LYCGJJAPSA-N 441.337 -0.700 50 20 IBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)co1 1788610488 BEZNGHONVPOIRN-NUTKFTJISA-N 428.449 -0.111 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3c1)C2)c1ccc(B(O)O)cc1 1795736330 ZMDYVDOHQFJPGA-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1cccc1 1801254906 IRPCFDLTBQRFIY-AFIMGQEJSA-N 426.477 -0.049 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1)[C@H](O)CCl 1803137936 FFZJMZIGTIFMND-BJJXKVORSA-N 445.867 -0.268 50 20 IBGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1805323819 FTJMPMPKGCQVLT-RHSMWYFYSA-N 449.475 -0.158 50 20 IBGD C[C@@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1820878373 WVLFYIFZPAGMRR-IAQYHMDHSA-N 428.453 -0.151 50 20 IBGD C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927619 VGNFHGLWOCNWQJ-JOCHJYFZSA-N 446.309 -0.581 50 20 IBGD C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1(F)F 1835934194 PAFBVAUKDKPQDF-RBUKOAKNSA-N 438.236 -0.518 50 20 IBGD Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)o1 1840185099 KZOFUHXOVZGMSN-NRFANRHFSA-N 436.509 -0.040 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 729274848 FSKZLFKIPVVVGK-XDQVBPFNSA-N 428.511 -0.563 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 729277158 SVSGLKRWIHCOCU-ZJUUUORDSA-N 447.311 -0.113 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 732264613 VTCXSZIDPRRPLS-STQMWFEESA-N 435.437 -0.033 50 20 IBGD CCNC(=O)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755515536 XIBXGYRDXBURFC-UHFFFAOYSA-N 442.436 -0.964 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 759774572 NNICPELCBASKFV-UHFFFAOYSA-N 438.487 -0.366 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 760957299 BURHRYNMEKTIOZ-LLVKDONJSA-N 425.467 -0.184 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767353732 NXSDRUYXLVNPDA-OHHBCXFOSA-N 429.429 -0.609 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(O)nc(N(C)C)n2)CC1 802542535 GWCVKRQTEHKTEA-UHFFFAOYSA-N 436.498 -0.664 50 20 IBGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779013 OADKGMVVUQWWAW-BXUZGUMPSA-N 428.467 -0.735 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 912918625 ABWUBTJFTXEBRV-ZIAGYGMSSA-N 440.522 -0.186 50 20 IBGD COCC(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1116298269 MCQYWDADBBWGRU-UHFFFAOYSA-N 425.917 -0.242 50 20 IBGD Cn1cc(C(=O)C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 1325288381 ZWFITBPJLIISQM-UHFFFAOYSA-N 449.489 -0.596 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778443096 CDEGMIWOMRRSOJ-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1778857437 JMOVDVTZQSPFCX-VIRVFLBCSA-N 427.310 -0.850 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1782626212 XUZVKASTGUUSDP-SQSZOCELSA-N 430.465 -0.832 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CNc2ccccc21 1795617501 NFVYMACKRRJAKJ-MNDZRTMASA-N 435.289 -0.221 50 20 IBGD O=C(COc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800645956 OJJKWCRUWVFPRI-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1801338374 JXHYGGVTRAGPQZ-AFIMGQEJSA-N 441.492 -0.346 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368161 ZNTLBHIZPWNUDI-DJKXOVBDSA-N 438.293 -0.394 50 20 IBGD CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359804 GOHVEQBPKGDVIE-QMTHXVAHSA-N 430.295 -0.427 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470025 GGHKOAIAOPSDEK-INIZCTEOSA-N 448.310 -0.170 50 20 IBGD O=C(C1CCC2(CC1)OCCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735037 CBZAUENDTOADGB-QFBILLFUSA-N 446.928 -0.024 50 20 IBGD COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)(C1)C2 1830735638 JJOVLCMSBKQZCR-KSBHDHOUSA-N 430.885 -0.614 50 20 IBGD O=C(CCn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826270 IMABWAXMHMTPAU-MRXNPFEDSA-N 430.303 -0.090 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835747217 JITHCTJXCIZJGV-DQYPLSBCSA-N 439.340 -0.728 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840149877 CHFOZPZSXFZYNJ-FZKQIMNGSA-N 430.889 -0.248 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840180109 IHLSSFBCSGGBFI-MOPGFXCFSA-N 446.573 -0.090 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190661 GXTXZIOKZUJIRQ-HOTGVXAUSA-N 427.281 -0.138 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1)n1cnnn1 1840475849 NCHCBKPVEUGCGE-IUODEOHRSA-N 431.291 -0.525 50 20 IBGD O=C([C@@H]1CC[C@H]2CCC(=O)N2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014386 FPLSHYDSPDSPTR-AEFFLSMTSA-N 425.294 -0.416 50 20 IBGD CCn1nc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)c2ccccc2c1=O 728512802 XMRTUNJTQDSLPC-OAHLLOKOSA-N 428.449 -0.696 50 20 IBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 747408729 DDYWVMVXHOIVSN-OAHLLOKOSA-N 427.460 -0.256 50 20 IBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748239933 NCLTWVCWHRNMES-JCVNQNCUSA-N 427.461 -0.441 50 20 IBGD O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)c1 748462678 WKYISQDPWYNDMD-UHFFFAOYSA-N 446.508 -0.200 50 20 IBGD CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCOCC1 753047840 XFQHDWLXRVRGAP-HNNXBMFYSA-N 441.510 -0.482 50 20 IBGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 764002856 UAPXEMVYTFQGBM-CQSZACIVSA-N 440.522 -0.072 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 764226128 GCERLYDZUMFKEM-ZCFIWIBFSA-N 437.356 -0.130 50 20 IBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cc1 764318891 KYVOCIBLJWSUDB-UHFFFAOYSA-N 444.419 -0.014 50 20 IBGD CNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 765070618 MFILEQDKKOLYAD-UHFFFAOYSA-N 427.483 -0.732 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 765322194 HTUNLUMTSYWDBD-OLZOCXBDSA-N 446.526 -0.526 50 20 IBGD CN(CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)S(C)(=O)=O 766661601 XMZWMUHRZKNTCA-UHFFFAOYSA-N 431.946 -0.504 50 20 IBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1 766847037 WDLPPCZKSRAUEW-UHFFFAOYSA-N 425.555 -0.111 50 20 IBGD CN1CCN(c2ccc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)cc2)CC1 771550409 IATUVYGUSNOJML-UHFFFAOYSA-N 431.522 -0.527 50 20 IBGD CN(CCNC(=O)NNC(=O)CNC(=O)c1ccco1)S(=O)(=O)c1cccs1 771977380 KDFNKSGQFZTFJC-UHFFFAOYSA-N 429.480 -0.278 50 20 IBGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 796568841 QLFIXDAPRGDVAY-UHFFFAOYSA-N 436.490 -0.238 50 20 IBGD COc1cc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc(OC)c1OC 921235224 AGHKNAUAJNVDJV-UHFFFAOYSA-N 436.446 -0.029 50 20 IBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C2=O)cn1 1318623719 QHDIHZMMLAXVDG-HNNXBMFYSA-N 427.469 -0.438 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nccn(C)c3=O)cc2)CC1 1322296724 OLLAJCXMDMNGAI-UHFFFAOYSA-N 434.478 -0.610 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1782179570 JSUQXIHQFKUOLE-FRQCXROJSA-N 435.949 -0.959 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788510560 JVACZCUQSRJTCU-TWLHIMTCSA-N 441.337 -0.700 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790634684 OHNJIZFCMXFLMT-VOAKCMCISA-N 448.314 -0.460 50 20 IBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192867 AGMMPWKPYAQYMD-KYHPRHEASA-N 447.297 -0.539 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800970592 GUVBGRYIWVOSOT-RKQHYHRCSA-N 425.935 -0.842 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810298137 GOJCWDOJAKKOHP-PBHICJAKSA-N 449.475 -0.158 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1813071037 MGCCKQRAGKXFQU-UZLBHIALSA-N 444.540 -0.700 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CNC(=O)C2)n[nH]1 1821959577 JOAOODSKMWCZQN-IAQYHMDHSA-N 440.464 -0.150 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1ccnn1 1824683513 SPJUXGPCGDEWII-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831121220 CXPLHMZZNNYBHF-NRFANRHFSA-N 432.282 -0.948 50 20 IBGD O=C(c1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833834344 UHHYIKUDRNJBHR-WFASDCNBSA-N 433.234 -0.057 50 20 IBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCCCC(=O)O 726155100 GDGOCSYDTFRYII-GFCCVEGCSA-N 449.507 -0.082 50 20 IBGD COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 728170744 JLDOARNBPJIDAL-VOTSOKGWSA-N 429.451 -0.276 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)NCCS(C)(=O)=O)c1 729158492 YMFPZWJADMMXPI-UHFFFAOYSA-N 436.581 -0.129 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3c[nH]nc3C)cc2)CC1 731851614 HFZAQLBVLNZZCP-UHFFFAOYSA-N 434.478 -0.354 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C[C@@H](C)O1 732264620 VVVHYYGNJCGXQW-PBFPGSCMSA-N 434.472 -0.108 50 20 IBGD COc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 737468769 SXPRUASCAZFJSL-UHFFFAOYSA-N 449.489 -0.100 50 20 IBGD COc1ccc(C(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 760920463 XRIBKLXYVYOPOG-UHFFFAOYSA-N 448.823 -0.874 50 20 IBGD COCCS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 766642995 SOWSTUDZDHXKDX-UHFFFAOYSA-N 426.539 -0.679 50 20 IBGD CCNC(=O)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 770542168 DYHBXQARZJINGB-UHFFFAOYSA-N 425.511 -0.008 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033658 BBQXJONOFFUEJF-APPDUMDISA-N 440.298 -0.088 50 20 IBGD CN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781029726 PYWFRJMWGLVPFF-UTKZUKDTSA-N 430.509 -0.387 50 20 IBGD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1786034492 HZWOAGUHWQQOFE-ZLIFDBKOSA-N 427.465 -0.674 50 20 IBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1789868438 FQCZGRPKRILZNV-ANFAZTKISA-N 435.308 -0.200 50 20 IBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)C(=O)C(=O)O 1789925618 RWDCFEMFFFRSBK-QFOLPQNPSA-N 438.250 -0.800 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1ccccc1=O 1791291104 LNSPRPKLAGUTCU-OWSLCNJRSA-N 447.536 -0.238 50 20 IBGD COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440830 ANTBSPCATPIYCF-UXTUBLPOSA-N 433.465 -0.337 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)nc1O 1796787253 YCLZYOWPYITQFH-JGPRNRPPSA-N 427.421 -0.548 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2cncc12 1797523818 ITIHNINFSCYQHM-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807367889 OJAFAKHNEDQFBU-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c2c1CCC2 1830727854 IJCNQTQVGBCZHR-BEFAXECRSA-N 426.901 -0.422 50 20 IBGD Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1833016344 ALCJLFAGGOSLPO-CXAGYDPISA-N 432.930 -0.165 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1834087616 NWEBBQAYHVHDHW-FQEVSTJZSA-N 434.497 -0.772 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932040 LFYSTCLLKMDSHV-YCRPNKLZSA-N 432.282 -0.948 50 20 IBGD O=C(c1ccc(O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939367 OKETWPMBXZYJFM-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD CC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456830 OFBBEXVJDSWYSX-FQEVSTJZSA-N 433.465 -0.876 50 20 IBGD CCCCn1nc(C(=O)NNC(=S)NCCNS(C)(=O)=O)c2ccccc2c1=O 727067166 DVDCGGVHBIQVMB-UHFFFAOYSA-N 440.551 -0.145 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 729275552 PSSWFJQKORPMJX-OLZOCXBDSA-N 446.551 -0.052 50 20 IBGD CN1CC(=O)N(CCCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 742300684 HPMKIZCOVHLWGG-AWEZNQCLSA-N 434.405 -0.809 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 749352810 IQIUNYXEKVCOFS-UHFFFAOYSA-N 443.526 -0.628 50 20 IBGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 754132493 BDHJNLNFFOGHTN-UHFFFAOYSA-N 436.498 -0.332 50 20 IBGD COc1ccc(OC)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755389153 HJFWOZRLSBCSAI-UHFFFAOYSA-N 431.409 -0.696 50 20 IBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)c1 758034533 HAXDFDXANYAUST-BXUZGUMPSA-N 442.494 -0.607 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C)cc1 758042812 BBKNXNRUVCFFKI-OCCSQVGLSA-N 434.540 -0.617 50 20 IBGD CNC(=O)Cn1cnc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n1 763599541 IQTJDUZDQJCTHO-UHFFFAOYSA-N 431.453 -0.514 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)O[C@@H](C)C2 764227081 LYORPRWHQGOQQC-VHSXEESVSA-N 428.467 -0.568 50 20 IBGD CN(C)C1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2F)CC1 764432639 ISQNEMHJLIJITM-QGZVFWFLSA-N 437.472 -0.143 50 20 IBGD CC(C)(O)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 768255344 IGUDEEIAXAXQJE-UHFFFAOYSA-N 444.485 -0.643 50 20 IBGD COc1ccnc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1 773723506 BALNSMPFRUPPON-UHFFFAOYSA-N 449.493 -0.497 50 20 IBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 789858154 PZBRMDZCLAMINI-CYBMUJFWSA-N 427.483 -0.538 50 20 IBGD O=C(NNC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccc(-n2cnnn2)cc1 1248582822 HMTHQDQLHCZRDL-UHFFFAOYSA-N 428.453 -0.413 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1779030206 JXFBHKUEZRRVGJ-KRWDZBQOSA-N 441.391 -0.761 50 20 IBGD O=C(c1cc(=O)nc2sccn12)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779947909 SWZYLOZFTZQPLR-YVEFUNNKSA-N 426.882 -0.201 50 20 IBGD CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)[C@H](O)CCl)C4)CC2)CC1 1780647778 FIBIASZVNCYJDB-MBOZVWFJSA-N 442.988 -0.120 50 20 IBGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)C 1783934292 DBZJGYDHYCTBSJ-ICSRJNTNSA-N 426.514 -0.223 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnc(Cl)nc1 1792368032 HSPHUHTYBSEGRJ-MIFYACCESA-N 430.657 -0.673 50 20 IBGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1794529708 DOVIQSVLIGCPAK-IVWMJMPLSA-N 440.460 -0.394 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)c(F)c1 1801903316 WSPDFQLGMBXIPA-CWPLJXCYSA-N 436.484 -0.106 50 20 IBGD O=C(CCn1cncn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1813318491 VWQFKHVHZFPMJA-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)N1 1836715427 SNTLFALHTARSTF-UONOGXRCSA-N 430.889 -0.817 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837457088 XHDORXPVZSVCDX-UTKZUKDTSA-N 447.492 -0.676 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839096976 PWPXOPSOXCEKAA-YEURWPEFSA-N 435.456 -0.065 50 20 IBGD CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1840188118 PFOLJWMTXIUVRD-SFHVURJKSA-N 437.368 -0.116 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)c1cncc(C(=O)NNC(=O)Cc2cccnc2)c1 728851575 LMUKIIANCNGLCT-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 729227056 HDWVNRWVZXPHTF-INIZCTEOSA-N 447.473 -0.133 50 20 IBGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)c1 735585830 IUGIAGGYKRSFIQ-UHFFFAOYSA-N 427.483 -0.936 50 20 IBGD CCCCCn1nc(C(=O)NNC(=O)C[C@H](NC(C)=O)C(N)=O)c2ccccc2c1=O 740749349 VWMHUSJOHYSXNS-HNNXBMFYSA-N 430.465 -0.272 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cnnn1C)c(=O)n2Cc1ccccc1 751130228 UWSJTMWVFHCGPZ-UHFFFAOYSA-N 435.448 -0.293 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(F)c(Br)cc1F 756938065 DGQKGIRBPIRPKC-RXMQYKEDSA-N 436.256 -0.026 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 758043722 JOMSLNHIYBFDJO-SSDOTTSWSA-N 442.313 -0.449 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F 764227877 SJWMEURLFMQNHI-SSDOTTSWSA-N 426.373 -0.507 50 20 IBGD O=C(NC[C@H]1CCCS1(=O)=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 767175545 OUMRMOKGGMTUIU-OAHLLOKOSA-N 444.535 -0.008 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 794508406 OEQIRZHUXWCOKO-OLZOCXBDSA-N 433.531 -0.211 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(F)cc1Cl 795313633 GATFYOZFMBHDAX-LURJTMIESA-N 431.851 -0.487 50 20 IBGD CN(C[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1)S(C)(=O)=O 804868400 GTTBEIXSCGOAIJ-CYBMUJFWSA-N 436.498 -0.380 50 20 IBGD CN(CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(=O)(=O)c1cccnc1 915110024 UWMIOSFDYNVARL-UHFFFAOYSA-N 440.507 -0.544 50 20 IBGD CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1778095343 WOBKSTPODXSBGC-ZNUZEINGSA-N 446.508 -0.230 50 20 IBGD Cc1cnn(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030211 KCPIYSDUAKYLBL-HXUWFJFHSA-N 427.465 -0.666 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784632176 WWHRAXDMEQZDOX-QVKFZJNVSA-N 426.282 -0.424 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4nccc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786983944 GPBCXBJADIYLPF-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD Cn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610490 BQTMMBXNCHYGOX-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795302702 BKPPWLATHNKSKW-OPMZPASUSA-N 438.289 -0.043 50 20 IBGD C[C@@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736256 RWKVTKUPMHUDLO-RMYQPGKMSA-N 437.305 -0.157 50 20 IBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1O 1798951336 NXSVTUZWWHUPCT-CWPLJXCYSA-N 440.261 -0.402 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12)c1ccc(B(O)O)cc1 1799188747 NQMXEBMFZMGFGM-BJWYYQGGSA-N 447.260 -0.665 50 20 IBGD O=C(Cn1ccnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1805878769 NMWLIJNWMHMNMY-WIYYLYMNSA-N 433.277 -0.022 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807358991 BNFXPTDNTBWPSO-SZMVWBNQSA-N 431.685 -0.319 50 20 IBGD CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808235123 XISKIGFJRKXCCW-GJYPPUQNSA-N 447.540 -0.093 50 20 IBGD CCS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815168693 AJFBAGCROWDCSG-INIZCTEOSA-N 448.310 -0.170 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343798 PVHBVVWQVGHLPI-HIFRSBDPSA-N 442.306 -0.331 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1821958004 PCHFFNIMXUGUKD-BBRMVZONSA-N 425.254 -0.469 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(C)(C)C 1831081976 AGAQIUPQHSXGOU-QMTMVMCOSA-N 433.933 -0.407 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1835736700 CIWIHPSHMRZLIF-UHFFFAOYSA-N 441.496 -0.698 50 20 IBGD CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1835761395 OZSSREYPIWSJDR-KBXCAEBGSA-N 431.562 -0.643 50 20 IBGD O=C(Cc1ccncc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931638 VIKLMGBIPPFZFW-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1837275066 DAJIFCPGEIWZIH-DOMZBBRYSA-N 449.281 -0.534 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715422 OVSWUPPDUCPSSE-VQIMIIECSA-N 445.589 -0.555 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839641420 HOOICZRWEJNATA-QVKFZJNVSA-N 448.524 -0.905 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840031710 AFFPPOCLWOTADI-FZMZJTMJSA-N 427.317 -0.729 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840035428 RGSIPSHOQQLFST-DYVFJYSZSA-N 443.298 -0.517 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840184736 CPTUIGYMVAFRDS-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD Cc1cnn(-c2ccc(S(=O)(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2F)c1 757657022 SZMZCFQWMGIJNX-NSHDSACASA-N 431.471 -0.001 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 764225596 AYLOQBDMHWDUOY-LBPRGKRZSA-N 435.462 -0.316 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 764423870 DDWASEJVOOHNIB-SFHVURJKSA-N 445.476 -0.525 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 810573037 YSMGYMKWZNGPEG-UHFFFAOYSA-N 425.854 -0.409 50 20 IBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 812979726 FKVZZNGFHJXYDL-UHFFFAOYSA-N 449.471 -0.026 50 20 IBGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2 1117276742 TYIJEIDPMGNSRJ-IRXDYDNUSA-N 441.496 -0.310 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778686422 WOMOTBWGUGVQPY-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)N1CCN(C)CC1 1780637582 XTXNNELTKHLMFS-TVKQPGBESA-N 430.977 -0.264 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781324883 DJJVAURYRMNONR-SUNKGSAMSA-N 444.323 -0.165 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1783874877 HTOGPSSMHCKNSN-QLQJRFMMSA-N 432.930 -0.127 50 20 IBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783932916 KGSKZECWAAAEKX-ZOCZFRKYSA-N 438.525 -0.221 50 20 IBGD CN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CC1 1788607911 VAZRFHOLCFBVRD-SNRMKQJTSA-N 444.536 -0.380 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798267613 RREYHEXKJMPRPO-JJHQXXDFSA-N 434.453 -0.999 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1810304894 HBBYEXRPVGPHQY-LIRRHRJNSA-N 436.428 -0.512 50 20 IBGD COC(OC)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793792 SXEYPRBUAXSDHP-VIFPVBQESA-N 434.478 -0.014 50 20 IBGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CCN1 1834826647 SQVBXJXJNJPOBE-CXAGYDPISA-N 432.315 -0.246 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249760 BNCZCDULABLEPW-DOMZBBRYSA-N 441.344 -0.482 50 20 IBGD CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836835593 ZDGCGZVGHNIAQB-UHFFFAOYSA-N 425.530 -0.506 50 20 IBGD O=C(c1cc(CO)on1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838805077 GOIJMPZGKDANEB-SWLSCSKDSA-N 436.234 -0.073 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188441 KADSWXWTJLKTLI-HNNXBMFYSA-N 427.354 -0.270 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)c1ccc[nH]1 1848178672 HIXGUMIXKJKXOW-IRXDYDNUSA-N 439.476 -0.351 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)CNC(=O)c1ccco1 725739423 GRBIXNTWPIVQTI-UHFFFAOYSA-N 430.389 -0.196 50 20 IBGD O=C(COC(=O)[C@@H](CO)NC(=O)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 728330790 RLHQKKWBJPDARQ-PBHICJAKSA-N 443.412 -0.692 50 20 IBGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 732891462 JIRSFKNUFIJEMG-UHFFFAOYSA-N 432.524 -0.150 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 744649208 FYXBNAYNPZLAAK-UONOGXRCSA-N 428.423 -0.689 50 20 IBGD CCN(CC)S(=O)(=O)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 746330374 AKWGMZJBLWFGSU-UHFFFAOYSA-N 434.540 -0.178 50 20 IBGD Cc1c(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cnc2c1c(=O)n(C)c(=O)n2C 747727239 KEXAJMIWQJPQCT-UHFFFAOYSA-N 435.400 -0.336 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)n(C)c1=O 748340423 FZNZSHRYFUPQAR-UHFFFAOYSA-N 447.459 -0.082 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 755677610 JVLZVFIKZFCELM-LLVKDONJSA-N 433.450 -0.561 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc([C@@H]3CCCO3)n2)n(C)c1=O 756003308 NGYFHDBMQLFQDN-JTQLQIEISA-N 433.450 -0.797 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 756154552 KBGITLIGHDUCGH-VIFPVBQESA-N 437.475 -0.544 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 763660083 WKRHRISSGZCIHP-UHFFFAOYSA-N 440.416 -0.256 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnn(C(F)F)c2)cc1 768238763 UKOGALFMGGSKMT-UHFFFAOYSA-N 444.420 -0.007 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c1 770639570 KWJMKSFUIQJIDO-ZDUSSCGKSA-N 434.540 -0.338 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1779028219 MJFWYNMTEPUHSH-LJQANCHMSA-N 444.404 -0.056 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029220 OBFAJKUPFAFHTR-ZUOKHONESA-N 432.481 -0.957 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783586023 YNBVHLSCMIOXHK-RAWFVAKBSA-N 429.477 -0.304 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]21 1788611196 NTOUVYFZHHONKO-JQFCIGGWSA-N 431.493 -0.417 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(CO)o1 1788901119 JANQMVCKCRETGW-FNHZYXHNSA-N 428.250 -0.641 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CN)c1ccccc1 1795676757 SZFFTJHRJMCFQS-NYUBLWNDSA-N 431.537 -0.309 50 20 IBGD O=Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795734513 KPZNJDWSHFMRMZ-ZSBFGKGUSA-N 428.275 -0.243 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2)c1ccc(B(O)O)cc1 1795734780 PIONMSXKOOFOAU-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccccn2n1 1796834371 YCHJDGDGWMRSTB-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1OC 1798768904 AFULKBHDNHQGRP-ZSBFGKGUSA-N 449.508 -0.325 50 20 IBGD COc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801010563 GYXHAPAJSSFVBP-MFKICJERSA-N 447.536 -0.015 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374347 HCTHIAXESCXYGL-QAPCUYQASA-N 435.249 -0.177 50 20 IBGD CC(=O)N(C)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337017 IWSTZRXHYMOIKA-OAHLLOKOSA-N 444.322 -0.083 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799532 DGGXUJNGKMDJFP-ONGXEEELSA-N 445.505 -0.108 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CS(C)(=O)=O)[nH]n1 1822413360 SVCFCKJFVIKKIN-CYBMUJFWSA-N 428.515 -0.181 50 20 IBGD O=C(CCn1cncn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1826605935 QNDXXDGBFWJHGC-AWEZNQCLSA-N 440.294 -0.270 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1830535298 LXJOUMUKCOGCGM-MQIPJXDCSA-N 434.287 -0.418 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931188 IAMRAWVVKNHIFG-KKSFZXQISA-N 447.297 -0.763 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933951 HZQDOHGOJWQVRH-XLIONFOSSA-N 436.339 -0.609 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1837901659 SQCYQMTXZPFHRN-UHFFFAOYSA-N 442.281 -0.279 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839143610 BTWWCYZBLKCUMW-KPZWWZAWSA-N 438.872 -0.495 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840036918 SQTFZBYIGCVODH-SJCJKPOMSA-N 444.282 -0.849 50 20 IBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)C2=O)cc1 728178908 MHHZBCWPIJTVRM-AUUYWEPGSA-N 438.506 -0.046 50 20 IBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C(=O)N1c1cnn(C)c1 745917491 JHAMYETVGOVUJX-NHYWBVRUSA-N 434.478 -0.038 50 20 IBGD CC1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 764229558 BDDLPJIYXMHKNT-CQSZACIVSA-N 439.538 -0.058 50 20 IBGD Cn1c(=O)ccn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1=O 765753469 ZRCNXRJOYAOKFY-UHFFFAOYSA-N 448.911 -0.834 50 20 IBGD CN(C)CC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 767945239 AKXGPJMASILACI-UHFFFAOYSA-N 443.501 -0.852 50 20 IBGD CCc1c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 772210501 BJKFXKOULUUVCO-LLVKDONJSA-N 433.465 -0.067 50 20 IBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 794598578 HINUTRIYSDHEJO-UHFFFAOYSA-N 443.482 -0.448 50 20 IBGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919884403 FNBNXLXPCHMROO-UONOGXRCSA-N 425.446 -0.578 50 20 IBGD COC(=O)CCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921127610 GZVCZXOUWZWPCR-UHFFFAOYSA-N 442.494 -0.005 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1779539563 CDEJXQPOFIZMQK-IQUTYRLHSA-N 440.573 -0.050 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1783885396 ZSHKCSZHBOIWMK-MEDUHNTESA-N 435.955 -0.070 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1CCc2nc(O)nc(O)c2C1 1794108670 ORBIEZGOCRQYHU-LNNJMGJISA-N 440.884 -0.818 50 20 IBGD CC(C)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)C 1795714247 ORFYXRKMTWCHPQ-PIKOESSRSA-N 431.342 -0.408 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCSC(=N)N)C2 1796440016 BKFJRJXINHAXEZ-NNGSTNBRSA-N 449.537 -0.273 50 20 IBGD Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)ccc21 1796979465 DVWZWLFEDXBSSP-RMHZUWNSSA-N 436.896 -0.320 50 20 IBGD O=C(Cn1ccnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1805879448 YZRPVKKHDCWQMD-WIYYLYMNSA-N 433.277 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1819402179 SAWSVZPIPVVVHW-DZGCQCFKSA-N 440.464 -0.007 50 20 IBGD O=C(Cn1ccnn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055398 YILCCDIPTVVIKM-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1)C(=O)O 1835761813 AKOOCJKTJTYPDL-CSMYWGQOSA-N 440.324 -0.258 50 20 IBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1835938268 RLJUPQWGIPMRBJ-NRFANRHFSA-N 443.265 -0.645 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840185767 XEUBJFRNHPMTQW-NRFANRHFSA-N 448.524 -0.728 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742676651 KATWOWGPRCCBDS-RFHZTLPTSA-N 439.469 -0.606 50 20 IBGD O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 749176393 SXAYLYKHFZRENW-HNNXBMFYSA-N 433.490 -0.072 50 20 IBGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c(OC)c1 750278021 ZFTDCNUNKJYCCW-UHFFFAOYSA-N 427.439 -0.245 50 20 IBGD CCn1nc(C(=O)NNC(=O)Nc2ncn(CC(=O)N(C)C)n2)c2ccccc2c1=O 756771593 ZTNVMABTHIZKLV-UHFFFAOYSA-N 427.425 -0.437 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763013528 QFPBOJHXUJKKBV-JTQLQIEISA-N 434.430 -0.358 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccn(CCN2CCOCC2)n1 763578946 RUUDVUNYYKHMDW-MRXNPFEDSA-N 444.448 -0.859 50 20 IBGD CN(Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1)C(=O)C(F)(F)F 764424972 LMBOBGVUDIPXLT-LBPRGKRZSA-N 432.355 -0.291 50 20 IBGD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427335 YXEHSFHLJOAUGJ-GFCCVEGCSA-N 432.355 -0.212 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2=NO[C@H](c3ccccc3)C2)n(C)c1=O 766638171 YTWNFOPGWPNFEY-ZDUSSCGKSA-N 425.405 -0.901 50 20 IBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 808098708 UCIFTTAIHYALEZ-UHFFFAOYSA-N 440.522 -0.406 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1CCc2nncn2C1 816882145 YJLXADFKQGFJHG-GFCCVEGCSA-N 435.462 -0.377 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 920212331 BREZPJCWBJTGOU-LBPRGKRZSA-N 448.523 -0.729 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781542450 GGLVTCUVMDDYMK-SNUQEOBHSA-N 433.889 -0.703 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1782175366 JPNLNRKVWSWXFY-FXRXJOCMSA-N 433.933 -0.595 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784629476 FIFZLVPWFOEMIR-BTYIYWSLSA-N 426.282 -0.424 50 20 IBGD Cn1cncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786125898 KUHCIWRWOUMXPY-NUTKFTJISA-N 427.465 -0.674 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979984 WNFZVSZTPFDHDU-YSSFQJQWSA-N 441.268 -0.264 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C[C@@H]21)c1ccc(B(O)O)cc1 1786983939 XBJDHEYRBSNLFM-SOGVPGBCSA-N 428.319 -0.165 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975532 UCSRRKCQEHZFHF-VJTDZRGJSA-N 435.905 -0.939 50 20 IBGD Cc1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1793912997 GIRIOYRHMVLPLF-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Br)Cc1ccccc1 1800434847 FGJWPDIIMKWHKM-QEOTZNIISA-N 439.354 -0.132 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807057225 YWYAZDURNJSKDZ-WBTNSWJXSA-N 425.917 -0.066 50 20 IBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054555 GWPFHOLXUFDDHX-MOPGFXCFSA-N 444.341 -0.808 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1830535969 VZNYPEQXQZORCI-XNJGSVPQSA-N 434.331 -0.015 50 20 IBGD Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cnn2c1 1830731290 KISARSGNIKHKEK-DNVCBOLYSA-N 437.884 -0.293 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737138 CYXDMQOOXQKVNR-VQIMIIECSA-N 428.917 -0.364 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cs1 1834458781 DHCADCOPTWFRCA-IBGZPJMESA-N 439.538 -0.105 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939907 NJFSQVCBSHWVSM-QVKFZJNVSA-N 432.282 -0.948 50 20 IBGD CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCO1 1836271251 LXIPEKXTLLOKTJ-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461234 QIGNZBBTHOJHES-NRFANRHFSA-N 429.477 -0.441 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840151916 RDBXGSKCQPZPLL-IFXJQAMLSA-N 443.884 -0.280 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840183412 CPPAXMSTHNXZSN-FQEVSTJZSA-N 436.465 -0.917 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840535087 CPCVPCDUVVNLEN-OCCKZLSWSA-N 447.492 -0.387 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)cn1C 21438895 BZUWKNDQEVTJKW-UHFFFAOYSA-N 428.496 -0.651 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C(=O)NC2(CCCC2)C1=O 726522440 KGLYGITWNGJZQD-NSHDSACASA-N 436.494 -0.006 50 20 IBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)Cc1cn2ccccc2n1 746549796 GCRPAPBXGSRYAP-QGZVFWFLSA-N 428.493 -0.263 50 20 IBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 747602189 OJHMZLSCBGLBDU-MRVPVSSYSA-N 441.281 -0.109 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C1 764211995 NYRPNXZBRJWHEQ-ZDUSSCGKSA-N 425.511 -0.245 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 765321511 BZRHDPQGWCNJHO-UHFFFAOYSA-N 427.483 -0.064 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 778613284 HBSSGPOPYMODQL-UHFFFAOYSA-N 448.480 -0.386 50 20 IBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NNC(=O)c1cccs1 789110386 HHSHNDHVAUMKEX-QGZVFWFLSA-N 438.462 -0.332 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1S(=O)(=O)NC(C)C 816872225 DZCLCGXLGKLSHN-ZDUSSCGKSA-N 436.494 -0.003 50 20 IBGD COCCN1C(=O)/C(=C/NNC(=O)c2cccc(S(C)(=O)=O)c2)C(=O)NC1=S 1317820702 DCZZSFBHOLFJJL-FMIVXFBMSA-N 426.476 -0.902 50 20 IBGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779028389 KQFMOTHLBZILDC-OAQYLSRUSA-N 441.492 -0.358 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)nc1 1780127961 HSOKJPRRSLRGES-XMSQKQJNSA-N 439.277 -0.092 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3F)C[C@@H]21)c1ccc(B(O)O)cc1 1786978797 WYJSDSHSGKAKCH-JQFCIGGWSA-N 445.231 -0.053 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788470927 BCQHDZWNSBKWFR-OBBGECFZSA-N 440.266 -0.279 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1O)C2)c1ccc(B(O)O)cc1 1795735841 GGXSHAOIPPAYFN-HBCWATKFSA-N 426.234 -0.705 50 20 IBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C(C)(C)C 1801010605 LHFJIJHDRJVRFB-QXGSTGNESA-N 439.557 -0.500 50 20 IBGD NC(=O)[C@@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827051084 MVHLYTFYCWGBBS-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD O=C(c1cnc(OCF)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724070 CNIDRVYARFGKJA-DYVFJYSZSA-N 432.836 -0.548 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732941 ZACDSSKNBNFPAA-ACJLOTCBSA-N 427.841 -0.520 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833481936 RPTDIKCXIQQXPR-CJNGLKHVSA-N 437.990 -0.162 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927420 OJPHZBHKRAWQGV-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD Cn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1837456824 NSLURWVJLYUFRG-NRFANRHFSA-N 442.476 -0.593 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1837709361 YULMIRLKRMITJM-BEFAXECRSA-N 427.574 -0.180 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107650 VHECAZGHHCWLEW-HNAYVOBHSA-N 431.917 -0.291 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840577284 PUPBHCNCXLETSL-OXQOHEQNSA-N 449.533 -0.349 50 20 IBGD CC(C)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840625615 YBCRWUOSBFNSLT-SHTLVRLNSA-N 431.493 -0.033 50 20 IBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)c2ccccc2c1=O 728512798 XMRTUNJTQDSLPC-HNNXBMFYSA-N 428.449 -0.696 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730659531 PGQLMYCAOFUVNZ-UHFFFAOYSA-N 434.796 -0.262 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)nc1 735584469 UPSJEAMZDAHUKB-CQSZACIVSA-N 436.498 -0.067 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)n(C)c1=O 743832013 DAFLYPZOLSDBKT-UHFFFAOYSA-N 437.363 -0.112 50 20 IBGD CN(C)C(=O)NNC(=O)C[C@@]1(C(=O)NNC(=O)N(C)C)CCN(C(=O)OC(C)(C)C)C1 746184622 LADVURPFKWLDJJ-SFHVURJKSA-N 443.505 -0.392 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755247451 MUETVGYOPXHBKU-YXAMBPQSSA-N 446.485 -0.159 50 20 IBGD CN1CCOc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc21 756850833 OITPREQKCAVEGG-UHFFFAOYSA-N 442.436 -0.885 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 758056159 SBKCIQINHKZRRH-AWEZNQCLSA-N 425.511 -0.800 50 20 IBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763849006 GXKBQVVXXTUJDZ-CQSZACIVSA-N 448.455 -0.092 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 764229624 BISHMXFWWODMAI-STQMWFEESA-N 441.510 -0.897 50 20 IBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc2c1OCCO2 764819124 ZIIJITXMQKLPTN-UHFFFAOYSA-N 428.405 -0.636 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772157327 BCHDYSAEFJOORU-YPMHNXCESA-N 431.515 -0.171 50 20 IBGD COCc1nc2n(n1)C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)CC2 793090300 CBCNWZRXYKDZAI-CQSZACIVSA-N 431.453 -0.004 50 20 IBGD COc1ccccc1CCNC(=O)CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 798048552 FVTJMIULKUAYCN-UHFFFAOYSA-N 438.448 -0.026 50 20 IBGD CN1CCN(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 807380940 WJVGDDOBRYFUNA-UHFFFAOYSA-N 427.483 -0.886 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 809980199 JIOYQUQUSFCHLA-UHFFFAOYSA-N 440.507 -0.577 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3nccn(C)c3=O)c2)CC1 1116193475 ZWJCPCUEMDYQRN-UHFFFAOYSA-N 434.478 -0.610 50 20 IBGD C[C@@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)n[nH]c21 1777850719 ROXKCLLRNQQXMH-PEBXRYMYSA-N 438.293 -0.104 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779054644 NOYGQJFKROHEPK-YCRPNKLZSA-N 439.281 -0.900 50 20 IBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C 1779833055 ROBYBIWWOHTLGT-NRFANRHFSA-N 426.282 -0.580 50 20 IBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CO[Si](C)(C)C)C2)C(=O)C(=O)O 1781540345 GTGOUEFCNBYWDP-AUUYWEPGSA-N 443.573 -0.105 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784499947 OEDYJLRFKUXBCV-QVKFZJNVSA-N 441.492 -0.339 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784597102 BSAINHYXMRDFEQ-RGQKXNEFSA-N 446.508 -0.388 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784949152 RXXQYLIRTBENLL-VOAKCMCISA-N 445.314 -0.451 50 20 IBGD Nc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cs1 1786979827 KOXRBCRMUWWWPJ-NOLJZWGESA-N 430.295 -0.688 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)C1(O)CCC1 1788607826 MDPGYGRAYFIVQL-USJZOSNVSA-N 445.520 -0.171 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1788764073 ITLZPYBTJBZXMX-OBJOEFQTSA-N 449.544 -0.743 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cncc(O)c1 1791109308 IKMCEAISFZSIKB-JVPBZIDWSA-N 425.250 -0.626 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1791291284 RJNCWOFHZPKIJH-RCBQFDQVSA-N 448.480 -0.859 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794207929 HDSBMGLMFXOICS-AEIVNDMOSA-N 443.464 -0.643 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)n1)C2)c1ccc(B(O)O)cc1 1795734130 DOOVPQLJKUHYMQ-YWVIFJGQSA-N 430.657 -0.673 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNc3ccccc31)C2)c1cccc(B(O)O)c1 1795737585 YGLAEAKGYXNZQN-MNDZRTMASA-N 435.289 -0.221 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1796439579 NJGWXEOTQXVDHH-UOEJNGGWSA-N 428.453 -0.848 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797444373 HEPWXAFHMJJXBO-YVWYUNDQSA-N 432.525 -0.204 50 20 IBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800187052 UCKKWZGXCFEEEY-RBLKWDMZSA-N 425.324 -0.250 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800756786 IXHNNBQNHXTJLU-LSSIXWDNSA-N 428.283 -0.326 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011497 QHZZZDBVFLXSFN-JLVBRIDZSA-N 443.508 -0.386 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812393217 DDNWVIJFVMQJPM-YCPHGPKFSA-N 440.884 -0.116 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1c1cccnc1 1813069795 BZFDZWYTFXYPJE-CRAIPNDOSA-N 428.497 -0.097 50 20 IBGD O=C(O)CSCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361903 TZQJPQMMNGNQPB-GFCCVEGCSA-N 449.319 -0.134 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1cc(=O)n2[nH]nnc2n1 1816668807 SDLOQSXNYBWDAA-RCOVLWMOSA-N 438.857 -0.905 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cnnn1 1826987023 OBJDUODKAXJCBE-GHMZBOCLSA-N 435.514 -0.324 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832192787 DZCPTXHYIULQFQ-INIZCTEOSA-N 442.410 -0.284 50 20 IBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1833313246 BRBXFEQPMKCFGA-QFBILLFUSA-N 444.020 -0.206 50 20 IBGD COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1F 1833481423 ZBEFSHPEWHQPQO-KDOFPFPSSA-N 431.848 -0.101 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833984085 PKIQNIQECOTYLK-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1837694488 LQMKTQWVYDIJEK-CXAGYDPISA-N 432.315 -0.082 50 20 IBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)o1 1838002607 NZYPXIDDUAUBNP-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1)NC(=O)NCc1ccccc1 1842736942 MPZPGXYMQKAGFN-KRWDZBQOSA-N 442.520 -0.185 50 20 IBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 21967507 MFFMGZIZOAZRQZ-UHFFFAOYSA-N 431.482 -0.380 50 20 IBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)C1CCN(c2ncccn2)CC1 728848260 JDDWJZYKINMFCS-UHFFFAOYSA-N 443.489 -0.421 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 729275609 QBIUUVUTJGCYQN-JTQLQIEISA-N 432.449 -0.098 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 732203523 BTBIKAJSNCDDJW-LBPRGKRZSA-N 439.494 -0.730 50 20 IBGD C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 745699489 GBTWMOGMJNBNDB-SGIREYDYSA-N 437.449 -0.571 50 20 IBGD O=C(CO)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 755393978 ZAQOEDMMISUYBK-UHFFFAOYSA-N 427.483 -0.547 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 763714275 RWTUSMTXCCGFOF-UHFFFAOYSA-N 440.460 -0.255 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 768644836 HUNUPVHRGBXQMA-CQSZACIVSA-N 440.522 -0.278 50 20 IBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n(C)c1 778592934 QZBOPFZLJQKTCQ-UHFFFAOYSA-N 428.492 -0.246 50 20 IBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(Cl)c1F 792269444 UPUMZXOUIMRLTG-ZCFIWIBFSA-N 438.821 -0.711 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccccc2)[nH]n1 914462792 XDLSYHQPJYQIHZ-ZIAGYGMSSA-N 431.474 -0.127 50 20 IBGD CCCn1nc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)c2ccccc2c1=O 919926531 RIPPHGUUUJSNRM-UHFFFAOYSA-N 426.437 -0.439 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780074631 LZVUFKOMBRFPIX-NRFANRHFSA-N 427.266 -0.402 50 20 IBGD O=C(COc1ccc(O)nn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781492646 AMBFTMZRUPABGK-VEVIJQCQSA-N 428.873 -0.325 50 20 IBGD CCOC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792226053 CQNJQQZZRIEQAB-SZMVWBNQSA-N 446.309 -0.451 50 20 IBGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n1 1805323817 FTJMPMPKGCQVLT-PBHICJAKSA-N 449.475 -0.158 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1sccc1F)CCO2 1831914690 BLLXVIUMYWHTNY-FQEVSTJZSA-N 448.281 -0.049 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837459587 SKOURNWXKNVBIN-RDTXWAMCSA-N 439.419 -0.590 50 20 IBGD O=C(CCc1ccoc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840514093 KEPDDELDDHKSFV-QFIPXVFZSA-N 442.277 -0.338 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840588212 WZPPWPBUZKOBKQ-JTSKRJEESA-N 446.309 -0.747 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)n(C)c1=O 17519494 ZZUKTQLFKKCMAY-UHFFFAOYSA-N 436.432 -0.325 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 729276796 MFOAZFQKWGRBMD-PWSUYJOCSA-N 426.451 -0.895 50 20 IBGD COc1ccccc1C(=O)NNC(=O)COCC(=O)NNC(=O)c1ccccc1OC 731492927 MKPSSEZEHYFWQR-UHFFFAOYSA-N 430.417 -0.057 50 20 IBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 750521587 SZANPZLYRHXRFQ-ZDUSSCGKSA-N 442.384 -0.021 50 20 IBGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755604777 SWYDKGVOOCCXQI-LBPRGKRZSA-N 426.451 -0.433 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 758056765 STKYJROHLDWCDK-LBPRGKRZSA-N 435.524 -0.276 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2c[nH]c3cccc(F)c23)n(C)c1=O 769862633 MXOJWEMHXRQYAF-UHFFFAOYSA-N 449.424 -0.936 50 20 IBGD COC(=O)C1(NCC(=O)NNC(=O)c2cc(Cl)ccc2OC)CCS(=O)(=O)CC1 770174705 OLLWGZDQUISEMR-UHFFFAOYSA-N 447.897 -0.180 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)nc21 770974080 IXFJMYOLLHTKNO-OAHLLOKOSA-N 436.432 -0.012 50 20 IBGD Cc1cc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc1C 773231605 MYEDNLSZJBPRQK-UHFFFAOYSA-N 426.480 -0.878 50 20 IBGD O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NNC(=O)C(=O)N1CCCC1 789308838 HCYUKZWGTVLHPA-MRXNPFEDSA-N 449.483 -0.204 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 792796476 FDEBOMQAKLXMMG-IBGZPJMESA-N 434.449 -0.163 50 20 IBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@H]2COCCO2)(S(C)(=O)=O)CC1 796848337 QNKBQEGHEDNWFI-GFCCVEGCSA-N 435.499 -0.637 50 20 IBGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1 806752370 DBGGYIREAIGFBN-SWLSCSKDSA-N 438.437 -0.437 50 20 IBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 1322149468 WDBFLVPONRMVOY-UHFFFAOYSA-N 440.526 -0.022 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778047917 HUSJWLJGGOGOLX-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1779034057 KOOUHOOHTXPGDM-NRFANRHFSA-N 441.492 -0.195 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779250188 CFDJYCUNVAMDLZ-QVKFZJNVSA-N 431.298 -0.885 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccn1 1782556663 XLEBYFOQFRLKKV-DKZVUGQWSA-N 440.309 -0.048 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1783934636 JTELZLJXSQSYAG-MRXNPFEDSA-N 438.403 -0.705 50 20 IBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1784953692 WILVYSMNDWFWLS-YVNDNENWSA-N 435.250 -0.792 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1785442051 AWDSHJWATIKBKG-GHTZIAJQSA-N 431.298 -0.885 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983677 PQFGVHWOHZQEJP-KNBMTAEXSA-N 449.276 -0.455 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790637063 XGHCPWLCCIIJPH-RVMXOQNASA-N 448.314 -0.317 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)nc1 1792975969 GTUGDAVCDDTLEM-JLUCKKNBSA-N 431.898 -0.712 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834207 JHQWDTKGYKUKRX-MIJXAVMKSA-N 431.287 -0.699 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccnn3c1)C2 1797754198 YEDBCWRGNRGKSG-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD Cc1ncncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798199306 JSUIKNXXIDBFFG-FVCICTRLSA-N 425.449 -0.699 50 20 IBGD CN1CCN(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)CC2)CC1 1799976558 ZREQOSMJPRFFBD-ACDBMABISA-N 440.353 -0.602 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1810304908 HMKBFLWSKRYUFT-BEFAXECRSA-N 449.475 -0.309 50 20 IBGD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccco1 1830724196 WIXAGFMWMGLKSS-ACJLOTCBSA-N 429.857 -0.935 50 20 IBGD N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737248 CKDSUFLJGAXOTJ-OXJNMPFZSA-N 437.880 -0.007 50 20 IBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)co1 1834206011 FHTMPHGBWLPYRU-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD CCc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1835931153 HQQVTMDZAIZYIE-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840036504 LYRXHDIPIZZGLE-WFASDCNBSA-N 441.344 -0.339 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840140074 ODYMEFVWYRPDFX-ROYATCLZSA-N 444.912 -0.202 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841757375 XGMYIJLJPAVHHB-OEAKJJBVSA-N 440.460 -0.361 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842060451 XSBMZQJZSTYTEA-CYBMUJFWSA-N 446.508 -0.431 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)c1nc[nH]n1)C2)NC(=O)NCc1ccccc1 1845038730 MHHSIKGEKBHILV-UHFFFAOYSA-N 426.481 -0.032 50 20 IBGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 727240593 SLQILFQZUBIRBA-UHFFFAOYSA-N 433.918 -0.130 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 748553974 WWAUPYCSKBFJNU-UHFFFAOYSA-N 442.476 -0.677 50 20 IBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCCS(=O)(=O)C1 758660301 CQSVORMYCAJVTD-CQSZACIVSA-N 444.535 -0.008 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 764319471 FVRAFGXDCPQJBD-BETUJISGSA-N 431.515 -0.800 50 20 IBGD CN1CC(=O)N(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1=O 766664837 VTIOPAVRTOTKMP-UHFFFAOYSA-N 436.900 -0.501 50 20 IBGD COc1ccc(-c2cc(C(=O)NNC(=O)c3cn(CC(=O)N(C)C)nn3)n[nH]2)cc1OC 768275419 BQXCVKVSCZMGKP-UHFFFAOYSA-N 442.436 -0.152 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=S)NCCSC)c1 769768070 WJWYYFXAMSSAKR-UHFFFAOYSA-N 435.597 -0.263 50 20 IBGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NN=c3cc[nH]cc3)c2)CC1 783379174 XKKSLBGCPZODDL-UHFFFAOYSA-N 432.506 -0.089 50 20 IBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1Cl 783999880 MAKPNMSCQIBHJS-UHFFFAOYSA-N 426.813 -0.400 50 20 IBGD O=C(CNC(=O)NNC(=O)C(=O)NC1CC1)Nc1ccc(I)cc1 807240124 IGNPSGRJPNIWSI-UHFFFAOYSA-N 445.217 -0.161 50 20 IBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2S1(=O)=O 816873865 PZVTXBXSBSIDQK-LBPRGKRZSA-N 432.462 -0.145 50 20 IBGD CCn1nc(C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)c2ccccc2c1=O 916434765 ZPTZYJWEBCDBBP-UHFFFAOYSA-N 429.481 -0.476 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21)[C@@H](O)CCl 1784094976 XUFVOSQOGYYIBQ-CBVHJVASSA-N 436.940 -0.037 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785155310 MBMGPHHKAGEEQM-DGORSVRFSA-N 431.287 -0.652 50 20 IBGD Cn1cc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980028 ZXUOUKKJRKWHJN-FNHZYXHNSA-N 429.257 -0.249 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nn1C 1786984837 OVDDKLBUQZSIAR-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788743957 MKIHPUUTWUPNOQ-QAETUUGQSA-N 439.557 -0.356 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793612862 IFIJBWYZZDZXKF-ANGCBRKESA-N 432.246 -0.418 50 20 IBGD Cc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733016 XRZULQKNEIRQET-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796130065 LXPFWRQBCHJOTL-HGKCTWBKSA-N 426.282 -0.592 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1796443991 UBDHETSYRZVOKR-AOFVIZNASA-N 444.492 -0.669 50 20 IBGD Cn1ncc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cccc(B(O)O)c3)C4)ccc21 1797082822 ILEZCDTYNVXZKP-RMFSNUHRSA-N 448.288 -0.230 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799344773 VJTBLKJQMZZEII-SVNGYHJRSA-N 429.308 -0.053 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OC(C)(C)C 1800597344 QJCOUEFVFICGAR-UMPJEAMMSA-N 441.529 -0.159 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1810301994 FKRBIBFKBSZRIK-ZYSHUDEJSA-N 435.488 -0.072 50 20 IBGD O=C(Cn1cccn1)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815341284 VQSXPWLDJOYVOT-CQSZACIVSA-N 425.279 -0.055 50 20 IBGD O=C(CN1CCOCC1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815355036 ZXBVSYFHDFJYDK-HNNXBMFYSA-N 444.322 -0.619 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360234 QXLVUDSONPASEX-ZFWWWQNUSA-N 442.306 -0.331 50 20 IBGD O=C(Cc1ccccn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928308 JSWHWRCDQCUJLM-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1836767478 LTMZMDAMOPFTKC-PXNSSMCTSA-N 444.960 -0.376 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837803129 YLPWLKPCXRDDMC-OAQYLSRUSA-N 442.281 -0.910 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnc1 1840182571 NXPLKUHSMAWOED-JXFKEZNVSA-N 436.513 -0.727 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 732958049 XYSPYZDSPMJESJ-AWEZNQCLSA-N 439.450 -0.482 50 20 IBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(Br)c2)o1 746318095 VMAWLGGYNKNGFN-UHFFFAOYSA-N 445.251 -0.120 50 20 IBGD CNC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 753804824 XFVPDXGVONHDSA-SNVBAGLBSA-N 425.389 -0.422 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 763527369 BOWVQPHPJYRKAA-UHFFFAOYSA-N 429.480 -0.078 50 20 IBGD NC(=O)COc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 766642167 KDMZOJWBXNUNNA-UHFFFAOYSA-N 439.472 -0.230 50 20 IBGD CN(C)N(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 792856366 XUQFBNSTBYRLIE-KBPBESRZSA-N 432.543 -0.006 50 20 IBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)c2)CCN1 812980303 OVIUWQGTAVJGOU-GOSISDBHSA-N 437.456 -0.292 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778592937 IAJBRWJOWDQFNV-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1784618727 QXWSTNOAZJHJSQ-MNXVOIDGSA-N 437.888 -0.187 50 20 IBGD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCl)NC(=O)OC(C)(C)C 1793878247 JGTNEVCYLMYLIM-ZWUHOBOKSA-N 446.932 -0.156 50 20 IBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191384 GBXVQOSZHNYKEJ-RDGPPVDQSA-N 446.265 -0.887 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796891928 PCVUSOYIUVSBJA-PPHIPKRZSA-N 448.480 -0.177 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807057223 YWYAZDURNJSKDZ-QBYUYEEZSA-N 425.917 -0.066 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361604 BSAUUEMDCRRAKC-APWZRJJASA-N 445.306 -0.874 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ccnnc1O 1811225983 VFYWGJZDPBKWLA-QFBILLFUSA-N 447.260 -0.110 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831512773 WCIJKSGWBVMCQD-XXHMAFKTSA-N 449.508 -0.838 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)C1 1837455685 DLCLJMVWRXFFNV-HOIFWPIMSA-N 443.504 -0.199 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1837457024 STBRFJPHDWFMIP-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840829806 QQVKMGCPNWUVBP-ROUUACIJSA-N 432.468 -0.139 50 20 IBGD Cc1ccc(C(=O)NCC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1847063741 LXBKQRDWJKITHV-UHFFFAOYSA-N 435.289 -0.078 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 728372531 RYXMYRLGBKIYET-CBBWQLFWSA-N 425.507 -0.066 50 20 IBGD O=C(CC1(CC(=O)NNC(=O)N2CCOCC2)CCCC1)NNC(=O)N1CCOCC1 729841117 FFAAFYYEWWCHOL-UHFFFAOYSA-N 440.501 -0.527 50 20 IBGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 731901943 HUQGVUBRPGPBSG-HNNXBMFYSA-N 447.535 -0.159 50 20 IBGD Cc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C 749185151 PVJYEXHZXLUANH-VXGBXAGGSA-N 432.481 -0.799 50 20 IBGD C[C@@H](C#N)Oc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757979015 WZFFJGRLEDDGIO-NSHDSACASA-N 440.420 -0.423 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc(-c3ccoc3)n2)n(C)c1=O 765723990 GSDYSOBTJIUJJV-UHFFFAOYSA-N 429.418 -0.389 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnn(-c3ccccc3F)c2)n(C)c1=O 765731810 SGJMNJMRGUOTBH-UHFFFAOYSA-N 440.395 -0.780 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799835197 NDHIUVHREYOPFY-SSDOTTSWSA-N 437.356 -0.520 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783531943 ASDIDPDLRYKXKI-QFYYESIMSA-N 439.270 -0.356 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1783934353 FFZCLHHBDIIOIG-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)o1 1788922625 FMSHTQUFAYSNQC-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1794062609 AWDWRTCGSQPDHW-ZSBFGKGUSA-N 427.465 -0.756 50 20 IBGD N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1cccnc1 1795734851 ZGLJJGGKKLFXIF-NZGUISNBSA-N 438.293 -0.945 50 20 IBGD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)o1 1797751848 VDGACGIKFFZBPI-YWVIFJGQSA-N 428.449 -0.193 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801255372 SREXQMDJOQRXDS-BTTYYORXSA-N 425.449 -0.806 50 20 IBGD Cn1nncc1C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810300411 YHSPPYSRLGIDDF-KDOFPFPSSA-N 449.475 -0.158 50 20 IBGD O=C(Cn1cncn1)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354659 PBFISBZMIVSCOH-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1833390558 BYPSOSNJKYVRGB-IFXJQAMLSA-N 442.900 -0.289 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1837460385 FDKSLYCHYFCDAW-OXQOHEQNSA-N 449.533 -0.349 50 20 IBGD O=C(c1cc(CO)on1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201686 FWLJEZAWHQPLGG-DOMZBBRYSA-N 436.234 -0.073 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840153429 OJWNWDYLKBESOB-AUUYWEPGSA-N 442.900 -0.011 50 20 IBGD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840896292 QMBDTQASZUDOGM-WFASDCNBSA-N 439.918 -0.163 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)no1 1843400072 WJFFOVOWIZYZQR-UHFFFAOYSA-N 426.238 -0.491 50 20 IBGD CC[C@@H](NC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12)C(=O)N1CCOCC1 753047202 NTBNMPPYLIKMDS-OAHLLOKOSA-N 430.465 -0.002 50 20 IBGD CC[C@@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)N1CCOCC1 753047218 PIAQUTFNBABILK-GFCCVEGCSA-N 426.499 -0.439 50 20 IBGD COC(=O)c1cn(C2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)nn1 759211240 INOIBEZWYWJAHQ-UHFFFAOYSA-N 440.424 -0.268 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)n[nH]1 763155518 VOVHBBATCQDDDJ-UHFFFAOYSA-N 436.494 -0.577 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Br 764227291 MOYHLIRWUYTTSK-SSDOTTSWSA-N 437.272 -0.519 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 764398596 VCOYCYOVLYYZAN-ZDUSSCGKSA-N 444.510 -0.147 50 20 IBGD O=C(CN1CCN(C(=O)c2ccc(O)nc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 766250799 VMMWZFCIJOWMTG-UHFFFAOYSA-N 428.405 -0.086 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 771867616 MSQCZVUOFKVSMI-LBPRGKRZSA-N 443.478 -0.181 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC3CCCC3)nc2)n(C)c1=O 781710677 QVQVLUJBNSDIMQ-UHFFFAOYSA-N 441.448 -0.389 50 20 IBGD O=C1CN(c2ccnc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)c2)CCN1 794065765 OMFFCZPEGMSGTG-UHFFFAOYSA-N 426.433 -0.295 50 20 IBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914829882 DGJZIDZMAGUOBQ-QWHCGFSZSA-N 425.463 -0.500 50 20 IBGD CS(=O)(=O)NC[C@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1318321273 WEOMYALFWFJLIP-CQSZACIVSA-N 439.542 -0.305 50 20 IBGD O=C(c1cc(=O)nc2sccn12)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779947907 SWZYLOZFTZQPLR-SJCJKPOMSA-N 426.882 -0.201 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1ccnn1 1781551717 CQNQXLSTCQSYGK-RZQQEMMASA-N 435.529 -0.274 50 20 IBGD CC(C)(C)OC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784778095 KIRWXBILCOSESG-SZMVWBNQSA-N 446.309 -0.309 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1785442300 FVYNNZFZGRHKKS-DYESRHJHSA-N 446.508 -0.567 50 20 IBGD COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979412 FYBOPSYRFOPVNS-ZVZYQTTQSA-N 440.265 -0.928 50 20 IBGD CCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979560 YULQDCZOOQOGEW-IEZWGBDMSA-N 426.282 -0.510 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(Cl)cn3)[C@H]2C1 1787005057 NQGAKRYUJFPXIT-BPUTZDHNSA-N 440.932 -0.111 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)[C@H](F)Br 1789922144 CYMRGUYMCCAGJM-GMOBBJLQSA-N 446.210 -0.619 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)N1C[C@H]2C[C@@H]2C1 1791291208 PQBNUAYMPJWAOS-LHIBYTEYSA-N 435.569 -0.321 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791313016 HMQHZXRBRYWBTO-BJDJZHNGSA-N 429.823 -0.102 50 20 IBGD O=C(OCCO)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792981224 RKLRLVUSGNVWNK-DLTLXFJOSA-N 440.880 -0.361 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795737708 LGXBBEHYQAWVDA-KMOPNRPKSA-N 444.293 -0.841 50 20 IBGD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c2c1CCC2 1795739265 XYNREHVFJMUXES-CCWDJLKJSA-N 438.293 -0.894 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802106650 INVIEZJFVCPNBU-FBKDDSFISA-N 435.955 -0.310 50 20 IBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814561674 SZTZLIUZMWRMRX-HNNXBMFYSA-N 444.322 -0.619 50 20 IBGD COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831623796 FDMPFLFWMFXULU-XDNDIKTDSA-N 449.508 -0.141 50 20 IBGD O=C(CN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835398091 CHKHNGFTUBUODN-ZBFHGGJFSA-N 438.294 -0.535 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837457734 NYKVKAVRQYQQDN-CXAGYDPISA-N 429.836 -0.711 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[nH]3)CCO2)C1 1837785756 VGUUFMIPLMFGJA-HXUWFJFHSA-N 428.449 -0.603 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1838317218 CEEJBOKUAHYUMG-PPRFWAEMSA-N 445.436 -0.726 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1840183608 PACYXVBNFXMDOH-JOCHJYFZSA-N 446.504 -0.301 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1843415495 SVYGTOKFZFINPB-OEAKJJBVSA-N 440.460 -0.361 50 20 IBGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 749353625 PGKQEOXWWRQWKV-UHFFFAOYSA-N 427.527 -0.410 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccc(I)cc1 754206967 JEOATUACYOUSKW-QMMMGPOBSA-N 425.248 -0.081 50 20 IBGD CC(C)Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(O)n1 777420004 QSZBDRHSJVEPQA-UHFFFAOYSA-N 429.437 -0.806 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780398300 WYOVOAFEBHMFQD-UHFFFAOYSA-N 448.523 -0.039 50 20 IBGD C[C@@H]1Oc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc2NC1=O 784004322 WHOGKNLVQUTILI-VIFPVBQESA-N 431.430 -0.017 50 20 IBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 914839306 GSNXOPHPPOLHMM-LBPRGKRZSA-N 432.524 -0.605 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)NCCCOC)o1 920862595 AYZGVFSEZKRAGY-GFCCVEGCSA-N 446.482 -0.024 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032611 VQPCZLLHIYUAMA-HRAATJIYSA-N 431.493 -0.298 50 20 IBGD COc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)cn1 1782210865 UEOVTSHRLYBUMX-IIBYNOLFSA-N 448.524 -0.014 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783936679 YRCRGFDYXHYYMV-ZXRHXNHJSA-N 439.513 -0.282 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291542 XPAIIQIGDVTIMZ-QZWWFDLISA-N 435.529 -0.733 50 20 IBGD CCOC(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)OCC 1791419023 ONOIOKBWCHDFSS-WDSOQIARSA-N 448.325 -0.251 50 20 IBGD COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796685463 PFBUUPLBANILAE-ZSBFGKGUSA-N 429.238 -0.982 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cncc2cnccc12 1798456467 WMAWRQJPWRMYKH-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012325 VTIIIKWUAWUKPS-IHSNIMORSA-N 433.509 -0.189 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ncnn2C)[C@@H]1c1cccnc1 1813070647 KHVXUICVFJJYFX-CRAIPNDOSA-N 428.497 -0.097 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473977 JMSNKESJRFITOZ-LRDDRELGSA-N 427.270 -0.093 50 20 IBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cnnn1 1826092257 WRIPKWHNMVFXQA-MNOVXSKESA-N 435.514 -0.324 50 20 IBGD C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831407344 VJNHLAYHFPWBKS-QFIPXVFZSA-N 446.309 -0.581 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831762919 JWMCOGBIKZASDN-BTVXTAIASA-N 443.464 -0.386 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1)c1cccc(B(O)O)c1 1834799936 GQNNPOPZZXMJBA-FQEVSTJZSA-N 426.326 -0.920 50 20 IBGD COCCOCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800951 DEKDPSZWUFXVBS-UHFFFAOYSA-N 447.341 -0.785 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCBr)CCO3)n1 1834823112 JJKQTHPQADMACZ-MRXNPFEDSA-N 445.318 -0.439 50 20 IBGD C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738261 QDACOEGNMPARQV-AWEZNQCLSA-N 445.524 -0.995 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837410458 NSVKZPNNUOSYEJ-NQIIRXRSSA-N 430.266 -0.871 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1ccnn1 1839711077 VJFOWXSZJHIHBL-XUJVJEKNSA-N 434.266 -0.014 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1840345299 HOFIUYWVNFDDKH-QFBILLFUSA-N 428.917 -0.054 50 20 IBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)CNC(=O)c1cccs1 731986535 JMZWTJVBLNGBFI-CQSZACIVSA-N 437.522 -0.661 50 20 IBGD C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 734365925 YEIMLMKAKDELOT-CYBMUJFWSA-N 431.522 -0.020 50 20 IBGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)c1 735585734 HMWNHSSEVQSVOD-UHFFFAOYSA-N 438.510 -0.045 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 756495451 RESDHXQIANWGMG-YPMHNXCESA-N 448.523 -0.270 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 758036864 WGFYZKJDIZCOAD-VOJFVSQTSA-N 437.478 -0.930 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNc2nccc(N3CCOCC3)n2)c1 764329114 OPLUOMNTOIMZRR-UHFFFAOYSA-N 425.471 -0.677 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 806787067 AEDYPUXCUVNFLB-PWSUYJOCSA-N 432.503 -0.587 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 919961232 XYBXRHBJQSEGQK-VIFPVBQESA-N 444.413 -0.133 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1778115563 XHMLDXYPESUBQS-RHSMWYFYSA-N 437.946 -0.912 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Br)C3)C2)c(=O)nc1O 1783536421 DSVMZLORVWLUDM-SJKOYZFVSA-N 443.298 -0.129 50 20 IBGD N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccn1 1786870825 CEFLVBZFGOZPDP-UHMOLFJZSA-N 438.293 -0.945 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C1(O)CCC1 1786982001 LBDDUGWTDGANLM-XIVBQZFQSA-N 430.310 -0.489 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(O)CC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986488 GMDBZYGCHLABNM-ROQIKNHKSA-N 430.310 -0.489 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1n[nH]c2c1CS(=O)(=O)C2 1787151173 JSOAKKODFSYJMD-ZNIXKSQXSA-N 446.913 -0.969 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(CO)o1 1788901337 RTPKQMRVVAGBQX-FNHZYXHNSA-N 428.250 -0.641 50 20 IBGD N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741340 UYDFNBWMFKENJU-OPMZPASUSA-N 449.272 -0.480 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1830533426 NHWKVXUEZPZSTR-SUMWQHHRSA-N 449.346 -0.255 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1)[C@@H](O)CCl 1833312220 LLQPXTDFORCYJD-HOTGVXAUSA-N 435.974 -0.265 50 20 IBGD Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834363945 RVXDNWKXZUORCU-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840153842 BXSJGOOOYCKCLZ-FZKQIMNGSA-N 428.873 -0.191 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840230487 LLQXAGDRHXQMMN-KXBFYZLASA-N 427.574 -0.180 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012988 WZZAJXGUYFGVQE-MRXNPFEDSA-N 447.297 -0.931 50 20 IBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733345792 IECJUHFMGLKKTG-UHFFFAOYSA-N 435.510 -0.607 50 20 IBGD CCNC(=O)C(C)(C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 746328818 SCBIMCRBSMASNE-UHFFFAOYSA-N 441.558 -0.194 50 20 IBGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3cn4ccccc4n3)cc2)CCN1 746745569 ZSFAMCNNCQOYNK-UHFFFAOYSA-N 449.471 -0.021 50 20 IBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc2n(C)c1=O 755846249 JMFDIDWLPUJIFF-AWEZNQCLSA-N 426.389 -0.375 50 20 IBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3ccoc3)c2)CC1 764162537 DDEULOLGJRQGFD-UHFFFAOYSA-N 435.462 -0.385 50 20 IBGD COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764434030 PSGOUMNJQJYHAX-LLVKDONJSA-N 430.211 -0.263 50 20 IBGD CC(C)(O)C(=O)NNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 768244823 OABVTCGGAYUXFK-UHFFFAOYSA-N 436.284 -0.279 50 20 IBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778438015 OSPDCDSXAYRFCV-UHFFFAOYSA-N 445.498 -0.668 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)c2cccc(O)c2)CC1 779379856 ICVZGXKSHFLSEB-UHFFFAOYSA-N 448.505 -0.404 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC(O)(CN3CCOCC3)CC2)cc1OC 779606449 QZLXLVWHIHBARJ-UHFFFAOYSA-N 436.509 -0.376 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 915141102 CJTUEALINVSNID-UONOGXRCSA-N 429.520 -0.331 50 20 IBGD O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N[C@@H]1CCS(=O)(=O)C1 919888079 ACHUZCSMKHKOOK-KWCYVHTRSA-N 444.510 -0.514 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777774208 UXBACXBXIFIQHI-AUUYWEPGSA-N 428.453 -0.756 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880116 ZYMRDZLHVRREHL-HWPZZCPQSA-N 426.271 -0.198 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1ccnn1 1782213191 ALBKTGIXMVQUFS-RZQQEMMASA-N 435.529 -0.274 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783343327 SXEBGARMNRQELF-QAPCUYQASA-N 439.115 -0.017 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4ccnc34)C[C@@H]21)c1cccc(B(O)O)c1 1786983882 DDXNQRJDKMTFJX-VDGAXYAQSA-N 448.288 -0.079 50 20 IBGD O=C(CC(F)(F)C(=O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787435212 HHKBJBHKXJAKLZ-QEJZJMRPSA-N 440.208 -0.930 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740997 VVVWWWSWZCNBJY-VYCZESIESA-N 426.282 -0.898 50 20 IBGD COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C(C)=N/NC(=O)c2ccc[nH]2)CC1 1796444179 ZYILGPXRLDESOW-QQGSHNGGSA-N 445.476 -0.337 50 20 IBGD COCCOCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371779 ZWDVNEMYRODKCI-NQIIRXRSSA-N 441.293 -0.256 50 20 IBGD COC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1826501975 WOVXLYMXBVVCPL-SECBINFHSA-N 447.477 -0.277 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccnnc1 1834140140 HPWDXVXWGXIMTC-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1)c1cccc(B(O)O)c1 1834800226 ZWLCHTBKMBWQNO-MOBUCQHHSA-N 429.326 -0.678 50 20 IBGD Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835929554 VXBAGXGPQOILAF-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934394 YHMJWOFMMQBSTM-IERDGZPVSA-N 432.282 -0.973 50 20 IBGD CCO/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461505 WNBNDFDJBQFLRB-BTZGUFSASA-N 433.465 -0.695 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839769669 PWPXOPSOXCEKAA-USFQCSEYSA-N 435.456 -0.065 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840577282 PUPBHCNCXLETSL-JXFKEZNVSA-N 449.533 -0.349 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 758038780 GPHSVIZFPDADFR-NEPJUHHUSA-N 449.555 -0.856 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 764045961 VVILKZVQLWKYIH-NEPJUHHUSA-N 427.504 -0.333 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1S(=O)(=O)N(CC)CC 764299278 FNKFTOYLHHIWGY-UHFFFAOYSA-N 430.483 -0.152 50 20 IBGD CCN(CC)[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766645034 RMCLWWVENAGQGI-INIZCTEOSA-N 441.492 -0.336 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2O)OC(C)(C)C3)n(C)c1=O 768289981 BHNRQHSDRYLCHA-UHFFFAOYSA-N 442.432 -0.686 50 20 IBGD CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NNC(=O)c1cccc(Cl)c1 781909866 SBQZMZCCRWGHRI-AWEZNQCLSA-N 426.857 -0.519 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 787880365 GIXBYMSHROXCFR-QWRGUYRKSA-N 428.467 -0.510 50 20 IBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779223802 YHRCZRRMXMZGQR-VLIAUNLRSA-N 442.480 -0.944 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784508060 WOEDFQCMSOQWQT-QFIPXVFZSA-N 440.309 -0.597 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788771853 VNMVIWWQQYBXJF-XQLPTFJDSA-N 434.331 -0.098 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110187 SMWZGFDBRQTQRV-HKZUFNSLSA-N 444.279 -0.748 50 20 IBGD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189247 PXAGNDOKAMGDBK-RANZSIQMSA-N 428.323 -0.355 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751531 CVXGERQXCDHVMC-ZUMXRPEOSA-N 446.508 -0.807 50 20 IBGD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1OC(C)=O 1798521449 IYWSXXQYZBTVCI-DBWKPXFBSA-N 448.432 -0.141 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799276658 PAQVCFFQIGWMRR-PWMNWJTFSA-N 426.297 -0.123 50 20 IBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1808369483 GOHGGUDWGUIVAN-YEWWUXTCSA-N 439.476 -0.466 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1)c1ccc(B(O)O)cc1 1817472048 DUVUCASYVWVWFX-INIZCTEOSA-N 436.237 -0.208 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1cnnn1 1826972846 QLQSWSUXPYQIAZ-MFKMUULPSA-N 441.282 -0.704 50 20 IBGD Cc1nc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1835192787 YRCLGKOZGICMPC-UHFFFAOYSA-N 439.325 -0.103 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1nc2ncccn2n1 1835350937 PIRAQRBFCPGYCC-OAHLLOKOSA-N 435.916 -0.091 50 20 IBGD CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920245 SNXYCGASNBKMMC-UHFFFAOYSA-N 431.298 -0.885 50 20 IBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1837980441 AEIQOBKCBNAQBC-NRFANRHFSA-N 449.508 -0.467 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838474610 JWSAFBBFIIZZEO-FZKQIMNGSA-N 427.841 -0.520 50 20 IBGD CN(CC(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2)NC(=O)NCc1ccccc1 1845039408 MSWZISCRYAMWOH-QGZVFWFLSA-N 442.520 -0.328 50 20 IBGD C[C@H]1CCC2=S=C(C(=O)NNC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)C=C2C1 741144336 QKFCFDNXWAFPFW-VIFPVBQESA-N 440.503 -0.358 50 20 IBGD O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 741344567 XXULEODROJBTHS-ZJYNUGOYSA-N 444.400 -0.567 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 768639240 MWNPWSXQUDYWGR-UHFFFAOYSA-N 433.446 -0.199 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771848119 XREYAVIITHFHHP-QKCSRTOESA-N 447.897 -0.047 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 794508407 OEQIRZHUXWCOKO-QWHCGFSZSA-N 433.531 -0.211 50 20 IBGD COC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 804124075 ZXEOTDCEZGJJOS-UHFFFAOYSA-N 442.494 -0.113 50 20 IBGD Cc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nnn1-c1ccn(C)n1 814575874 SSVJUZODSYAMLK-AWEZNQCLSA-N 441.404 -0.547 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc[nH]n2)C1 1781567187 RVDQTUVIMYAPNF-DYESRHJHSA-N 441.492 -0.222 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1783879482 VOQCBZYFHVBJKJ-MDZRGWNJSA-N 441.916 -0.459 50 20 IBGD CC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784334843 OQOVPMGHIXIJND-JQFCIGGWSA-N 431.493 -0.106 50 20 IBGD Cc1nccn1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790649640 VGOKBJNOUVFXRC-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnc1 1795677889 OIQFPNAKTHISHO-SHJAMOMRSA-N 438.293 -0.945 50 20 IBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(O)c1 1795735238 RFEUJIHDHDYENC-YVWYUNDQSA-N 440.261 -0.402 50 20 IBGD O=C(CNC(=O)C(F)(F)F)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192317 ZKZOMNYLORUDTK-BTTYYORXSA-N 427.188 -0.703 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1800641525 DMJGBBXGTIYEFG-AICCOOGYSA-N 434.331 -0.099 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813068206 JRNICRUUVHGOOQ-PTSWNOGYSA-N 432.525 -0.028 50 20 IBGD O=C1C[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCN1 1815348168 GWFBIZGGKSCWLS-OCCSQVGLSA-N 442.306 -0.425 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826322805 RLKVNWSHPKMEIL-LLVKDONJSA-N 448.505 -0.647 50 20 IBGD COC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1826507656 SVCNAGPMJKQKGL-SNVBAGLBSA-N 426.499 -0.216 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838117000 JOEAZYLUEGYMAZ-OXJNMPFZSA-N 449.895 -0.063 50 20 IBGD CSCC[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 15639476 NWAHVVSHAQGCHH-FZMZJTMJSA-N 439.515 -0.014 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCCCC(=O)O)c(F)c1 728509946 CHTUSEYWBVXVMM-VIFPVBQESA-N 441.459 -0.684 50 20 IBGD NC(=O)CSCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 735648673 HIUGPARMXIPBLS-UHFFFAOYSA-N 444.535 -0.994 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 764226415 IIZNYWPMUHSNIG-UPJWGTAASA-N 441.510 -0.676 50 20 IBGD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764227367 NQYDJHUVSSINAD-GHMZBOCLSA-N 427.483 -0.762 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nnn(-c2ccccc2)c1C 764818816 WCWZYLKUZRTCCC-UHFFFAOYSA-N 435.448 -0.137 50 20 IBGD COC(=O)CNC(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 779719519 ANHGUGBWKRXTJM-UHFFFAOYSA-N 431.496 -0.619 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc2n(n1)CCO2 809933913 ZVTCNIAUTANOIE-UHFFFAOYSA-N 449.489 -0.310 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1Cl 915789118 NHOKZNBGKJEECU-UHFFFAOYSA-N 443.869 -0.387 50 20 IBGD CCn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1C 1779032702 SUXGTQVPRXLYBM-NRFANRHFSA-N 441.492 -0.033 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782382721 SJVWNPRXZWCYMV-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984274 XMDWYAPDHZGKCV-WDSOQIARSA-N 449.276 -0.684 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)N1C[C@@H]2C[C@H]2C1 1788510564 JVACZCUQSRJTCU-ZVDSZYIKSA-N 441.337 -0.700 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797741814 BIJVABNTMPUTEN-GISGIKCKSA-N 443.508 -0.640 50 20 IBGD CN1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1799118398 MREMXXVMBAZMKA-AFIMGQEJSA-N 430.509 -0.770 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1801012676 VOZNETNLFUTEFS-QYRAFCHESA-N 449.552 -0.650 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1cccc1C=O 1801013428 WBWVEVSGEVOTQM-IHSNIMORSA-N 433.509 -0.176 50 20 IBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)c(=O)nc1O 1801971613 WPMGXNLLNQOLHD-LFSVMHDDSA-N 447.261 -0.463 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806771707 LKSVIQFMGLOBKZ-KXBFYZLASA-N 439.538 -0.495 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335581 FXLUHDAONQMDIA-RISCZKNCSA-N 444.322 -0.037 50 20 IBGD CC(=O)N(C)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337014 IWSTZRXHYMOIKA-HNNXBMFYSA-N 444.322 -0.083 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NNC(=O)C1)CC2 1819797408 BKPMFGPFMVPRFU-MRVPVSSYSA-N 442.461 -0.757 50 20 IBGD CC(C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927628 VQFLJAASHKBSRS-OAQYLSRUSA-N 434.298 -0.749 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839963568 OJNBTOBFZSRGOZ-GDZNZVCISA-N 449.346 -0.791 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CN2CCN(CC)C(=O)C2=O)c2ccccc2c1=O 46901052 YGEYHMLSFFMIQY-UHFFFAOYSA-N 428.449 -0.742 50 20 IBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730576975 YAVICQJPBVATOZ-HNNXBMFYSA-N 429.520 -0.018 50 20 IBGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 743885272 RTRFVHRISJHCNJ-LBPRGKRZSA-N 433.446 -0.859 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)c1 749400315 BHASKBLUNUBYOS-UHFFFAOYSA-N 440.503 -0.200 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752156642 VBHVCUJFCAFMBP-JTQLQIEISA-N 430.464 -0.764 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 756404292 UKHLUKZYELZINS-SNVBAGLBSA-N 433.512 -0.440 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 763645278 TVXKUROBEGSIIO-UHFFFAOYSA-N 441.444 -0.317 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 764345781 VLSQFHOBXAXCEZ-ZDUSSCGKSA-N 437.503 -0.126 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764432809 JVNUUYVWAMHWGX-CQSZACIVSA-N 428.467 -0.782 50 20 IBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 765414411 VGCRNORKPMZJQJ-UHFFFAOYSA-N 443.482 -0.653 50 20 IBGD Cc1occc1C(=O)NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765735103 HWXQZKBERSXSBN-UHFFFAOYSA-N 427.461 -0.077 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 771857392 WYKDJYSFBJQPCN-RYUDHWBXSA-N 430.483 -0.723 50 20 IBGD C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 776236234 ZPBQKFXBXFMMRC-DLBZAZTESA-N 436.490 -0.168 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cc1 1321920930 PDYJGOMMIQBUPY-HNNXBMFYSA-N 449.537 -0.042 50 20 IBGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028995 QFWXNAYZYVBONF-OAQYLSRUSA-N 442.476 -0.024 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1781231535 AVWDEFAERIJINC-SJORKVTESA-N 426.341 -0.661 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784267322 RQHKDQQRHFZESZ-FQEVSTJZSA-N 427.465 -0.516 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1784317520 OVNLZCASYUICKE-JOCHJYFZSA-N 440.309 -0.286 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1787507748 OSUSWWMXODQUGK-WFHGCUKPSA-N 432.481 -0.765 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787521470 XVNNXHGFUCUSNX-GLFJAGTFSA-N 446.508 -0.855 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccn2cncc12 1788421476 VWRZZRJSPRRXPS-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD NC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccc1 1795737429 FRSMAWHIQMQXGY-YHELAOLJSA-N 437.305 -0.688 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2nccn2c1 1797077047 QPKMVJHBEKTJNR-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD COc1cccnc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010783 VQDRNZLGCQZLDZ-MFKICJERSA-N 447.536 -0.015 50 20 IBGD CC(C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccn1 1801215052 DPNCJRRKDKRNBD-XEMDLRDOSA-N 437.305 -0.058 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)[C@@H]3CNC(=O)O3)C2)CC1 1806111529 AKMKMRROMJTEKX-HNNXBMFYSA-N 430.465 -0.362 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)c1cc(=O)n2[nH]nnc2n1 1807944569 QSDZYYFBOROKGU-LNSITVRQSA-N 446.855 -0.873 50 20 IBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnccc2C(=O)NN)CC3)C1 1827269864 ADMGINGNCAYNEW-NSHDSACASA-N 429.506 -0.071 50 20 IBGD Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1C 1831975962 VPQXVJKLIZAKNJ-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C1CC(O)C1 1833274214 CXEQNITYMFGTCK-UHFFFAOYSA-N 429.326 -0.678 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564800 UYRGOHTYFUWGRF-IGCXYCKISA-N 449.346 -0.791 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1)C(=O)O 1835763016 UCYVADJPUNCWMC-IXPVHAAZSA-N 440.266 -0.804 50 20 IBGD Cc1cccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927121 GQPYRXDGXFPLHR-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1835933495 ALEBLWVPLKXBDT-MRXNPFEDSA-N 432.616 -0.732 50 20 IBGD CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1839067744 KUSQTUQDQHXIBE-UTKZUKDTSA-N 439.557 -0.842 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840034238 FUIXKURXYJPGBB-ZBEGNZNMSA-N 429.271 -0.377 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840287292 RXRLPLDRLCJSGJ-OAHLLOKOSA-N 426.848 -0.353 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC1 15639512 IFEJYDFFYIYGTQ-CYBMUJFWSA-N 445.519 -0.325 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 729276057 WIPBONDGWWXBQA-GFCCVEGCSA-N 434.540 -0.276 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccccc2Br)nn1 758035706 NOZRRQRLDGVKCW-MRVPVSSYSA-N 431.272 -0.272 50 20 IBGD NC(=O)c1cnn2c(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)ccnc12 763293418 ZVWFFJIJNWEYNZ-UHFFFAOYSA-N 436.476 -0.199 50 20 IBGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763530873 JTZSDTGDCMKMDG-UHFFFAOYSA-N 440.508 -0.159 50 20 IBGD COc1cc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc(OC)c1OC 763538638 FOMNDYYLAQPZSJ-UHFFFAOYSA-N 448.436 -0.023 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 764226599 IUGYFSLDRGAWFW-LLVKDONJSA-N 429.524 -0.737 50 20 IBGD CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783428856 YBVZJOUDRFSLOV-YVEFUNNKSA-N 446.551 -0.100 50 20 IBGD C[C@H](CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 792855050 NPYNIBBPISGHAW-OLZOCXBDSA-N 428.536 -0.004 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1778109726 ZYJRYYDPIVQQPA-QLVMHMETSA-N 439.557 -0.260 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033669 BGSUWHHHEQZOBC-VFNWGFHPSA-N 441.492 -0.339 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785154700 IYZVSXVQYQRNRF-YYHQMBLXSA-N 445.314 -0.262 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)n1cccn1 1786981959 IEZCIHWIWGUHBK-XIVBQZFQSA-N 426.282 -0.583 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739882 MONHQCTZKSVRGA-CWPLJXCYSA-N 426.282 -0.848 50 20 IBGD CC(C)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccn1 1795740678 ICYFRGLTFPYHJL-XEMDLRDOSA-N 437.305 -0.058 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1796440895 DHMFXQHCSUFDIN-LVTGYEAHSA-N 425.449 -0.186 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnccc1Cl 1797996031 NNUXCQHWNQZKJO-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD CC(=O)N(C)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350215 KUMSGDDNPGPWMV-HNNXBMFYSA-N 444.322 -0.083 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)N1 1817474951 JHIOQDQHPFMTOX-GDBMZVCRSA-N 425.254 -0.326 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826627838 PHJFDYFZVIWJJU-SFHVURJKSA-N 436.339 -0.356 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830038067 BKQGPVGZBAVPLP-DYVFJYSZSA-N 449.346 -0.255 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1cccc1C=O 1830724560 YGWXQLNXCCFBII-ALKREAHSSA-N 427.885 -0.082 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832184217 LUITVZIEPOIYJV-QGZVFWFLSA-N 448.178 -0.663 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)on1 1834222304 VJKHLYNHYURCFO-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835707791 QOFJFBQZHOQCJH-GMBSWORKSA-N 426.901 -0.208 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835749606 LKQXMKFPNXMGGU-GDZNZVCISA-N 449.346 -0.791 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1835929534 USGIMRACQGJJND-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836319409 FMLKYZVKNJLMFT-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839966223 YFRNHUHORBHJKB-QDEZUTFSSA-N 434.331 -0.661 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840156626 XAYMFDQSRHNCDD-DNVCBOLYSA-N 431.917 -0.291 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840184010 NPBZTVSTFFYLSR-IFMALSPDSA-N 448.520 -0.451 50 20 IBGD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011271 MZCCWCAXJBYTEF-UHFFFAOYSA-N 446.272 -0.024 50 20 IBGD COc1ccc(Br)c(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 728609248 URUQDZWYNCYJQM-UHFFFAOYSA-N 432.256 -0.237 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 732050353 SROWFWODPDSYPF-GOSISDBHSA-N 429.477 -0.202 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)CN2CCOCC2)cc1 739048430 JOOWNRNDKKJQCT-INIZCTEOSA-N 441.554 -0.086 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)nn3C)CC2)cc1 766636087 JCFZSVHHJOQKNM-UHFFFAOYSA-N 434.522 -0.196 50 20 IBGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 778644765 BUNINXCKSXFCMA-NSHDSACASA-N 448.448 -0.237 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 798309475 GFPBJTQMEFDXSJ-BPKBQXTESA-N 428.445 -0.060 50 20 IBGD CN(C)c1cccc(C(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 914602988 AHWFXLABLMORAU-UHFFFAOYSA-N 433.446 -0.231 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1 920364957 LHWJYZBTGIIOFF-UHFFFAOYSA-N 447.477 -0.548 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781860731 KYZGINAHDLSHBF-ZJNRKIDTSA-N 435.905 -0.087 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331396 ODJDSFZMKXQJIU-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936320 UMCCDTHFHMFOKW-QRWLVFNGSA-N 425.530 -0.506 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1787508577 ALHHSEKKEOBGSE-RRNDHEJESA-N 444.492 -0.621 50 20 IBGD CC(=O)O[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)C(C)C 1797595572 ZKWISASQPNCUAU-DACLVMHWSA-N 447.492 -0.524 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807683331 RFBXWNXSUBALNA-HNAYVOBHSA-N 449.475 -0.309 50 20 IBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810306325 WMDMSTNQUOCMQP-BEFAXECRSA-N 439.476 -0.464 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832319920 FIENSOLYMMPCKW-SCLBCKFNSA-N 430.889 -0.598 50 20 IBGD O=C(Cc1ccsc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836096741 LYCXDEHEZXVHLJ-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839962601 LJWUZTHLKLZHAK-BFQNTYOBSA-N 434.287 -0.275 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840150172 HDSLMYGCUZPYHZ-IFXJQAMLSA-N 443.884 -0.988 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1840151322 YJDGRBXXPXXINY-VQIMIIECSA-N 428.917 -0.019 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840152159 ZNDAOHYIUMKTOG-BEFAXECRSA-N 430.933 -0.022 50 20 IBGD CC(C)N(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185248 NDGVAJUCBSIFIK-HXUWFJFHSA-N 427.546 -0.844 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840263293 NAHAAGHBZILAPL-LJQANCHMSA-N 439.541 -0.781 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271754 NRURLZPUVIFBNN-CBGDNZLLSA-N 440.541 -0.633 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1846384796 JTKFIGRMRAKKFS-AWEZNQCLSA-N 441.529 -0.552 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)c(F)cc1F 728510742 RWTMOPPBBJKKLQ-RXMQYKEDSA-N 436.256 -0.026 50 20 IBGD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 749221537 QTIDLFIKNPTCFT-UHFFFAOYSA-N 449.475 -0.045 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)n(C)c1=O 754810039 YNZXJDCJZVASBX-UHFFFAOYSA-N 448.823 -0.909 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnn(C)c3N)CC2)cc1 758362243 PEDGVMGMYHWMMU-UHFFFAOYSA-N 435.510 -0.922 50 20 IBGD C[C@@H](CC(=O)NNC(=O)C(=O)Nc1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 758833456 MLZSQECGSBNERD-NSHDSACASA-N 430.446 -0.315 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(-c3cccnc3)s2)n(C)c1=O 761489562 YWXIJVJXVLCZGT-UHFFFAOYSA-N 440.445 -0.587 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 764316390 BGAGUOIPHWNTDF-UHFFFAOYSA-N 442.494 -0.008 50 20 IBGD COc1ccc2oc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(C)c2c1 765729305 BOFHOLABHUYVTQ-UHFFFAOYSA-N 440.416 -0.042 50 20 IBGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 766321426 NBLVVIWVCKYSEH-UHFFFAOYSA-N 430.826 -0.463 50 20 IBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780382893 NMXUHSHCGMXYHR-UHFFFAOYSA-N 442.475 -0.540 50 20 IBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N3CCN(C)CC3)CC2)cn1C 788169441 NYIWCDCXSCHTHC-UHFFFAOYSA-N 427.531 -0.883 50 20 IBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 800838977 QKIBZCBWGHCOQV-HNNXBMFYSA-N 448.567 -0.713 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC(F)F)c(F)c2)n(C)c1=O 815827431 ZAPMBAAATHBOPR-UHFFFAOYSA-N 440.338 -0.365 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 916728498 XDBGHQKWRMRROB-ZDUSSCGKSA-N 435.506 -0.314 50 20 IBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1324195904 UUDQWXZNENUJCB-NSHDSACASA-N 432.528 -0.652 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779030173 HOGZNFOXSSJUIC-HXUWFJFHSA-N 427.465 -0.272 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1780948846 KUQLNCCYQNMHJW-QFIPXVFZSA-N 449.276 -0.905 50 20 IBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1783970276 UNOQZZAFKJTUQN-CYDGBPFRSA-N 445.314 -0.451 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786893080 WBDRCJXWILDTTM-PEDHHIEDSA-N 433.347 -0.268 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791249332 IPEAZQHEPNQJNU-YTFOTSKYSA-N 439.962 -0.452 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C)C3)[C@H]2C1 1791793164 LZFDITZSBGIPMC-FUPWHNRLSA-N 430.509 -0.338 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)OC(C)(C)C 1793592335 FMOWSYMUTSUMMA-HBCWATKFSA-N 426.514 -0.319 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)nc1)C2)c1ccc(B(O)O)cc1 1795732767 HMNYGXVQAZMWNJ-UPHUGPLXSA-N 441.268 -0.264 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1CCN(C)CC1 1796191690 OIFMRKYICWKJQP-GEALJGNFSA-N 428.342 -0.746 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)c1cc(=O)n2[nH]cnc2n1 1807355985 RDIGITMJPWDVGW-DUVNUKRYSA-N 445.867 -0.268 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)N1 1814047174 NBIVUJDIMZXLMQ-OCCSQVGLSA-N 428.279 -0.673 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833864524 JLBPWXIEZGJBGT-RDTXWAMCSA-N 430.889 -0.248 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834466918 REAGZXAHKKUZCW-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD CCOCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834480922 GTWFXFVZCZOBGQ-UHFFFAOYSA-N 432.525 -0.093 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707792 QOFJFBQZHOQCJH-QOKNQOGYSA-N 426.901 -0.208 50 20 IBGD O=C(Cc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928398 NTVRLYHGEQLLLO-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1837814294 JEWGCVRWBVSQEQ-UHFFFAOYSA-N 425.530 -0.554 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840107649 VHECAZGHHCWLEW-DNVCBOLYSA-N 431.917 -0.291 50 20 IBGD Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC(=O)NN(C)C)CCO3)no1 1840185623 QRKDCLQCIGQKRR-KOXUSJRISA-N 449.508 -0.174 50 20 IBGD COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841352741 JXWQAUBBVINVNL-MRXNPFEDSA-N 436.933 -0.124 50 20 IBGD C[C@@H](C(=O)NNC(=O)c1csc(N2CCOCC2)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742239880 HFTLZQGUJDXDAX-QIWZIZFYSA-N 449.489 -0.708 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 742466048 ZRDAMBNEYNXLNW-AWEZNQCLSA-N 433.490 -0.003 50 20 IBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 756311669 RNICJWJCABJYGA-UHFFFAOYSA-N 437.482 -0.312 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1S(=O)(=O)N1CCOCC1 763883416 YNSYURJZXCASEL-UHFFFAOYSA-N 442.494 -0.152 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 764045963 VVILKZVQLWKYIH-RYUDHWBXSA-N 427.504 -0.333 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c[nH]c3cc(F)ccc23)n(C)c1=O 765722849 ZXCCKXNNKGLALJ-UHFFFAOYSA-N 427.396 -0.556 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 790402791 DPVLZCKYJXQGSQ-UHFFFAOYSA-N 448.523 -0.083 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 873768346 ZWZDVFQBIZQFFA-SYWGBEHUSA-N 446.485 -0.495 50 20 IBGD COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)c1cnn[nH]1)N(S(C)(=O)=O)CC2 918318884 AVJNPUXKUOTDGK-CYBMUJFWSA-N 438.466 -0.468 50 20 IBGD CN(C)C(=O)COc1ccccc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 920370267 FYQDHQFMRFSPHJ-UHFFFAOYSA-N 434.478 -0.812 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1779028460 MCFRWSCAAWBQGC-FQEVSTJZSA-N 427.465 -0.516 50 20 IBGD COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779034032 JFSBQSXOMWDVKV-LJQANCHMSA-N 431.449 -0.918 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783333584 ACGBFHDIKSRCLP-NFBKMPQASA-N 438.289 -0.587 50 20 IBGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783520716 MBYDAEGJOYEARG-QEJZJMRPSA-N 445.310 -0.833 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1783933652 CBOLCGAIQJGKLC-AVRDEDQJSA-N 431.537 -0.068 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3)[C@H]2C1 1786160342 CLJAPQUTWWCSCG-JQFCIGGWSA-N 427.465 -0.825 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1796445464 ATZAXVKBZSPZOY-OVSYPERQSA-N 444.492 -0.764 50 20 IBGD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801202914 BKTXYCQJSGZKMS-UOEJNGGWSA-N 434.453 -0.934 50 20 IBGD Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cc1O 1804892367 KANKLJUNLWAILA-JXFKEZNVSA-N 449.276 -0.166 50 20 IBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825219634 DTILCXZMJKDXPA-KOLCDFICSA-N 445.505 -0.108 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833475503 QEXMMLABFUOHJV-CZUORRHYSA-N 448.245 -0.154 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833752752 KIMQYYITMGHTQC-QFIPXVFZSA-N 440.261 -0.544 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834824138 RZOUTHBNXBYJCQ-GUYCJALGSA-N 432.315 -0.151 50 20 IBGD Cn1cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935196 GLYBBIFJZPZJQK-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459886 OBLNMIXQJNLPBR-HXUWFJFHSA-N 443.464 -0.900 50 20 IBGD O=C(c1cnc2snnc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838506508 BFOTYHUETGYXKK-DYVFJYSZSA-N 441.897 -0.244 50 20 IBGD C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838639979 QCJNHTVIOJXMHY-HNNXBMFYSA-N 425.530 -0.508 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642983 VVUDJYQPYCUEHS-BDJLRTHQSA-N 429.271 -0.377 50 20 IBGD O=C(Cc1ccncc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839058724 RQGWGORYQQRYLG-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847512290 YBKUYDVMAAZRLX-ULQDDVLXSA-N 447.297 -0.933 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307236 DZDWHURLWXQYMH-SECBINFHSA-N 425.435 -0.785 50 20 IBGD COCC(=O)N[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)C(C)C 744620907 IITVIKXIAZXIIQ-KRWDZBQOSA-N 428.511 -0.062 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764285867 NXYVIASYRDQXAU-QGZVFWFLSA-N 440.460 -0.094 50 20 IBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(F)cc1C 795313605 FBHYUKRAZPBFRR-VIFPVBQESA-N 425.460 -0.442 50 20 IBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccccc2O)cc1OC 810365727 WIIZEOFAUDGYCS-UHFFFAOYSA-N 439.446 -0.086 50 20 IBGD CC(=O)N1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)CC1 1778908012 CXWSTBJKPVMKAL-SQGPQFPESA-N 444.960 -0.736 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccnc1S 1783547172 LQTQQPAPOKCYFP-WBAXXEDZSA-N 441.318 -0.043 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1784090951 RNYRGSQEFFYASR-PJGZEUCASA-N 432.930 -0.632 50 20 IBGD CN1CCCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784113198 NJFHIDSRBRWPOE-FZDIXFNVSA-N 444.536 -0.237 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547342 XZTVPOHSUWAUCX-MEDUHNTESA-N 435.955 -0.070 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ccnn4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786985259 WRXQSIYZIDSOFT-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD Cc1cccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c12 1795736333 ZSSMPRFWRBTOOB-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD Cc1nccn1CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740932 QQEVIUSMIGLTKL-RMFSNUHRSA-N 440.309 -0.445 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795932248 UEDJXMGIUNYABH-QPPBUOOMSA-N 446.913 -0.705 50 20 IBGD CCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749561 DNXBHZYTLHHIAW-DPIQGUFMSA-N 428.449 -0.248 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccc(O)nn1 1805267520 JQRFHIYRPLULGH-OXJNMPFZSA-N 447.260 -0.110 50 20 IBGD COC(OC)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363783 FQEKOOLWECFSNN-FUHWJXTLSA-N 427.266 -0.300 50 20 IBGD O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807677900 XHJFFUZXIOQFJP-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD COC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055487 ZERCBRDKNNMCAE-SFHVURJKSA-N 431.298 -0.044 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836717074 GUWBUUWENZRYRK-CABCVRRESA-N 435.905 -0.351 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838324626 XJUMGVMXHLXVTG-IBGZPJMESA-N 439.900 -0.090 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033117 UYLCWQPLIIYHNN-GUYCJALGSA-N 434.331 -0.002 50 20 IBGD COc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183465 GDIPOWBRNZWRFI-OAQYLSRUSA-N 449.508 -0.467 50 20 IBGD O=C1COc2ccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cc2N1 1844079736 QYKPXTRFHMSPCP-UHFFFAOYSA-N 435.245 -0.172 50 20 IBGD CCn1nc(C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)c2ccccc2c1=O 727765349 WHJGLGMRTNIISS-MRXNPFEDSA-N 442.457 -0.093 50 20 IBGD CCn1cc(C=NNC(=O)C[C@H](C(=O)NN=Cc2cnn(CC)c2)N2CCOCC2)cn1 741767182 RLYNEIIQBHDAHD-GOSISDBHSA-N 443.512 -0.189 50 20 IBGD COc1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Cl)cc1C(=O)O 749141552 FVJONNLSROVLSL-ZCFIWIBFSA-N 429.860 -0.706 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 751210132 YYWPPGQCBCCFCC-UHFFFAOYSA-N 441.469 -0.303 50 20 IBGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)c1 752285662 VZEGXIHSAMCGOY-NWDGAFQWSA-N 425.463 -0.361 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(Nc3ncccn3)c2)n(C)c1=O 766635477 DDDAWRKHJHMASV-UHFFFAOYSA-N 449.431 -0.572 50 20 IBGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 795303598 QMFQTWGJFWATKR-LLVKDONJSA-N 435.480 -0.449 50 20 IBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1341082802 IXTZURCURRZGFL-UHFFFAOYSA-N 446.555 -0.405 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1782180085 RDRUYMMWXAZMDX-IQUTYRLHSA-N 427.885 -0.321 50 20 IBGD CCOC(CC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)OCC 1784166944 PLFBILMXMKWRIF-FQEVSTJZSA-N 428.530 -0.022 50 20 IBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n[nH]1 1786981074 OWXJWQDYWMQSCL-SNRMKQJTSA-N 426.282 -0.766 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1792963794 OHIMHAWRJZVECS-BJZZIADLSA-N 444.293 -0.841 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793313940 UOGGACZRQMRRRN-RMPHRYRLSA-N 444.323 -0.406 50 20 IBGD Cc1ncccc1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793918182 RZUARPDXHSJAGZ-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795582023 NPRQMOMYFBDJKJ-XLWJZTARSA-N 448.948 -0.582 50 20 IBGD C[C@@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)n[nH]c21 1795738812 GYCISHZWZXEUOZ-NFWAQSGPSA-N 438.293 -0.344 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797561099 GEEGISIIYIJQQB-CCWDJLKJSA-N 429.481 -0.695 50 20 IBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)sc1C 1798406931 QJLDXMBHOGLLNF-SCAQPMJSSA-N 429.307 -0.043 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443611 NTWJQCKDXHJHPN-NJEYBTAUSA-N 433.465 -0.447 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3)C2 1801012575 AYHNYPYFKVCGOZ-YVWYUNDQSA-N 443.504 -0.243 50 20 IBGD Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)c(=O)nc1O 1804097313 HXJLKVBROIPBQQ-QDMKHBRRSA-N 434.497 -0.731 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)n1 1810299479 QSRISIPYRWROFU-RHSMWYFYSA-N 449.475 -0.158 50 20 IBGD O=C1C[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CCN1 1815348166 GWFBIZGGKSCWLS-GXTWGEPZSA-N 442.306 -0.425 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1835935293 NDAQYZVRDHHXTP-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)O1 1835936750 BKDYRBJMBXWPEY-FQELHTAISA-N 432.282 -0.996 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838854656 XNYDPKDXHXOMCU-QFIPXVFZSA-N 442.252 -0.111 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840155564 FBVDVAWNXRBBHE-UGSOOPFHSA-N 444.872 -0.729 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263881 WAQRJRVQTQAIKL-QZTJIDSGSA-N 448.303 -0.396 50 20 IBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734686236 LIGZFTJUHIFROI-HNNXBMFYSA-N 436.469 -0.290 50 20 IBGD COC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCOCC1 747447887 ASRCBLACSNPBLO-UHFFFAOYSA-N 442.542 -0.161 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 758046335 HKMDPWLCCFTRTG-IUCAKERBSA-N 433.468 -0.654 50 20 IBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CN3CCN(S(C)(=O)=O)CC3)nc21 770967091 DLXCBNBYKVSSPL-UHFFFAOYSA-N 426.503 -0.693 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 772082572 PXGUPZZDLAOCJL-ZETCQYMHSA-N 429.231 -0.618 50 20 IBGD Cn1ncc2c(O)nc(NNC(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)nc21 799673636 JGZGFCRTFICTFG-UHFFFAOYSA-N 442.408 -0.048 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(F)cc1Br 806978137 OGZAKCASQLPFQA-SSDOTTSWSA-N 439.263 -0.080 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCC(=O)N2CCN(C)CC2)nc1 916433166 DPBXPAPHCBTLFB-UHFFFAOYSA-N 427.531 -0.442 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781813048 TXLFMRXNMQJVRX-NRFANRHFSA-N 442.233 -0.760 50 20 IBGD Cc1noc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984692 YXBQJGRCDCZEKD-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCCC1 1795293073 OOMUXHLURXLJKI-CWPLJXCYSA-N 444.536 -0.236 50 20 IBGD Cc1cc2nnc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3ccc(B(O)O)cc3)c(C)n2n1 1796188943 DJKPHYHMXIIWRT-BCDXTJNWSA-N 448.292 -0.013 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2 1797754073 KXEMFALCPVRKCW-YSDQNJFWSA-N 431.493 -0.561 50 20 IBGD COCCOCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371781 ZWDVNEMYRODKCI-WIYYLYMNSA-N 441.293 -0.256 50 20 IBGD O=C1C[C@@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCN1 1815361541 JHFCMLBAZXTTNZ-JSGCOSHPSA-N 442.306 -0.425 50 20 IBGD O=C1C[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)CCN1 1822478463 IFWHWLSPHGGWBU-CXAGYDPISA-N 439.281 -0.078 50 20 IBGD C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cnnn1 1822853405 KYMYXYKFLSYRIC-MLGOLLRUSA-N 438.257 -0.357 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832944519 FQYGYSRLYXKFEH-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1ncc[nH]1 1834033488 RVIMMJCDGVSNJW-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834824139 RZOUTHBNXBYJCQ-SUMWQHHRSA-N 432.315 -0.151 50 20 IBGD N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835942124 WZDHNZWIRBJVCN-NRFANRHFSA-N 427.266 -0.870 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1837702678 GYMMVWGGXZLGRW-OGHNNQOOSA-N 432.315 -0.083 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838655022 AMXPLAWGRJIWPI-UHFFFAOYSA-N 435.529 -0.350 50 20 IBGD O=C(Cn1ccncc1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839665011 XCHJAECVCMNTIJ-GDBMZVCRSA-N 447.261 -0.610 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2nnc(O)c3ccccc23)cn1C 725878000 PJFAFQLRIRVZBA-UHFFFAOYSA-N 433.450 -0.493 50 20 IBGD C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)n1cccn1 732329044 GJASOQGUHFVUJN-LBPRGKRZSA-N 432.393 -0.185 50 20 IBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 751204676 LXIVYMHSXYLWAN-IBGZPJMESA-N 431.380 -0.237 50 20 IBGD CC[C@H](NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(=O)N1CCOCC1 753060652 VOJINTPGXDUERU-ZDUSSCGKSA-N 440.526 -0.130 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 764325904 XBATWXZOXHHSPA-STZFKDTASA-N 425.467 -0.378 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 769230999 USFUCSPWVGZUTK-UHFFFAOYSA-N 425.427 -0.314 50 20 IBGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc2c(c1)OCO2 777779368 JLOZICCIDURISU-UHFFFAOYSA-N 448.295 -0.029 50 20 IBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)CN1CCCC1=O 789858407 YTZRVPNZUPBOMG-UHFFFAOYSA-N 440.478 -0.714 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc3c(cn2)CCCC3)n(C)c1=O 813013012 FUYVMECBKNXNQK-UHFFFAOYSA-N 426.437 -0.440 50 20 IBGD CCc1sc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1C 815261388 FVZXSCCYMPYHFS-NSHDSACASA-N 432.524 -0.161 50 20 IBGD C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371155 JOPQKQNOEVUDLR-QXATTWAWSA-N 443.504 -0.149 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnn2ncccc12 1787377005 MSPKZRLPQFZWOW-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795060861 GANSVIKSSXRYQC-IZZQQSIFSA-N 431.493 -0.489 50 20 IBGD O=C(Cc1noc2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795763673 QOHYISWRTXVDMP-MFKICJERSA-N 449.272 -0.047 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnccc1Cl 1797996114 ULOUOVDMTSFVNO-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD O=C(Cn1cncn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807596304 KBFVYFVMAISQMZ-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1813028320 OQGNKYMLFLHAON-GRDNDAEWSA-N 437.884 -0.107 50 20 IBGD C[C@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1820878379 WVLFYIFZPAGMRR-XHDPSFHLSA-N 428.453 -0.151 50 20 IBGD O=C(c1ccc(CO)c(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738674 RBQTVHPXZYWZRW-QFBILLFUSA-N 430.860 -0.012 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832491108 GISKXWLXQKLIEF-WIBUTAKZSA-N 440.880 -0.118 50 20 IBGD Cc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835928046 CGCMMUCVQPDTSL-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cc1occc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935069 FDZKVWSGKBOBNP-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837718123 XXQNKXVSUXLNRT-LJQANCHMSA-N 444.605 -0.333 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874056 VSHOYQQVHSFSGH-UDWIEESQSA-N 440.397 -0.951 50 20 IBGD CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)c4cnccc4C(=O)NN)C3)CC2)CC1 1844264820 LKDOQCPINMAZKX-UHFFFAOYSA-N 441.536 -0.718 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)[C@@H](C)O)cc1 728178670 BHWZCHQHAAKSMW-YCPHGPKFSA-N 433.552 -0.485 50 20 IBGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 732891634 PWXQANXGWIVDCM-UHFFFAOYSA-N 432.524 -0.150 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 756525396 OFWMPPKJJZNJFU-SNVBAGLBSA-N 435.528 -0.146 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 765754310 JLWKWKLMPLRLKP-UHFFFAOYSA-N 448.549 -0.440 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770958826 PELPICOXSZYMFJ-VIFPVBQESA-N 437.486 -0.170 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 790391452 LINRKTJIWBABKN-UHFFFAOYSA-N 448.523 -0.749 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800623605 SDQFUPRPZGGLPV-UHFFFAOYSA-N 432.481 -0.010 50 20 IBGD Cn1cc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 916594950 CVPHKHHIUVAFNM-UHFFFAOYSA-N 436.494 -0.372 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1779032620 VQZCCHYIVQJXRR-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cncc(O)c1 1782039996 OUZVXPUMKDGSOR-DENIHFKCSA-N 439.277 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(F)(F)C(=O)O)C2 1782211950 IGKHODVGIRQDNO-FZKQIMNGSA-N 448.467 -0.017 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1782626211 XUZVKASTGUUSDP-CWUFLNSKSA-N 430.465 -0.832 50 20 IBGD O=C(CCCn1ccnc1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784396150 JDIMYQHJYYZYSU-NRFANRHFSA-N 426.282 -0.513 50 20 IBGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785864210 NWNRHNPUAWJFHS-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)[C@@H](O)N1CCOCC1 1788654698 CAWWJYHXKPRFTF-AYZOYYRMSA-N 438.294 -0.693 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C(C)C 1791291402 UOYATSSHAFRPLE-BOSXTWCSSA-N 440.541 -0.073 50 20 IBGD CSCC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791306983 YYJYBLXBKYCQIF-OWLYRPNTSA-N 436.339 -0.926 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2nonc2c1 1796882678 YUKLXHQVINVXJO-CCWDJLKJSA-N 436.233 -0.580 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)N1 1817087329 VRSSRBXUZMRTMJ-ZBFHGGJFSA-N 425.254 -0.326 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830631847 IPSHMLFMSUSCQG-FXAWDEMLSA-N 428.530 -0.777 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831323339 JFGWHHBLZDMUQI-TYNCELHUSA-N 429.898 -0.695 50 20 IBGD C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1832462571 NWTROOHAHVUHDK-IBGZPJMESA-N 428.555 -0.265 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938084 JKDDVNWYCHGNGK-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839149932 WROBRCCQPUPHOA-DLBZAZTESA-N 439.340 -0.050 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201076 QZWIRXXJBOVKKJ-MLGOLLRUSA-N 438.294 -0.095 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1840186064 YIEMBVUXGPYZGT-KXBFYZLASA-N 428.555 -0.289 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cnc2c1 1843013967 JCMQYOKGFXDDAO-UHFFFAOYSA-N 446.272 -0.186 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 726616511 NXASIBJIINLQSC-UHFFFAOYSA-N 428.467 -0.812 50 20 IBGD COc1ccc(C(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 729951794 URGKUQBZULBQPQ-NSHDSACASA-N 438.462 -0.370 50 20 IBGD COc1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(OC)c1OC 742473261 YZBPZYMGRYSLPL-XYPYXGAPSA-N 433.417 -0.364 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 754882847 GQXMFTGIQOLNLG-NEPJUHHUSA-N 432.499 -0.916 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccnc2N2CCCC2)n(C)c1=O 765312509 HFFDJTNDXVSOHL-UHFFFAOYSA-N 441.452 -0.718 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 768706691 NPHTWFWXQARRAQ-WODVXLOZSA-N 446.526 -0.466 50 20 IBGD Cn1cc(-c2n[nH]cc2C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 781406769 ZKQRPFFWSCDHJG-HNNXBMFYSA-N 426.389 -0.046 50 20 IBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NNC(=O)c1ccccc1 789108317 DEYWGNXJTYFSJJ-IBGZPJMESA-N 432.433 -0.394 50 20 IBGD CN(C)N(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 792853694 GJPVNSKIHOPFJL-ZDUSSCGKSA-N 434.496 -0.245 50 20 IBGD COCCOCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 811914961 YEYDMGHSGPUULC-UHFFFAOYSA-N 429.495 -0.550 50 20 IBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 920858275 ZTWFYMRKKRRMTR-UHFFFAOYSA-N 441.510 -0.492 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779032166 DRERRJZYBDJDFD-HXUWFJFHSA-N 428.449 -0.007 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779061648 RBWKTEXLOHCYED-MGPUTAFESA-N 433.513 -0.520 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247902 OKSOKZDLLDPHGV-AFEQLLIESA-N 441.448 -0.653 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782410732 LPCAJMBPWRQCOM-QFIPXVFZSA-N 443.504 -0.002 50 20 IBGD O=C(CN1C(=O)CSC1=S)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1783244368 SJMFMOQCNMIWGO-PSTGCABASA-N 449.982 -0.040 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787392451 DXIOTWAIYKGGQP-LXFSFDBISA-N 449.932 -0.549 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610483 AYPQBINIRVBSGC-IGISWZIWSA-N 432.525 -0.348 50 20 IBGD CCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nn1 1795734958 BCCHBUVWZRGBEW-CCWDJLKJSA-N 440.265 -0.928 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439512 IGGLUCXTNPRVKZ-ASFMSOSWSA-N 446.508 -0.375 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2 1796441016 KIICCVLVTCACRT-BTQCZGSDSA-N 431.478 -0.125 50 20 IBGD COC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361958 WFMSOEYIBBJDAJ-LBPRGKRZSA-N 432.267 -0.595 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048740 GARHNSXZPRINNY-CXAGYDPISA-N 449.346 -0.113 50 20 IBGD Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830737424 HLLDYSPPAXDNOG-QFBILLFUSA-N 428.917 -0.054 50 20 IBGD Cn1cncc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801019 HTXAKUXMHBFGGS-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)n1cnnn1 1837717287 AQBSRMCWCZREIE-PBHICJAKSA-N 426.550 -0.458 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840244275 AEDUTISPDNGHNO-MNEFBYGVSA-N 440.664 -0.639 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1844264912 XGFDRLUXFAYDCD-HUUCEWRRSA-N 440.504 -0.097 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 744447058 UNZKISAINHBQJZ-BETUJISGSA-N 426.495 -0.230 50 20 IBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 756769537 FVZQNAVEMOZENF-UHFFFAOYSA-N 443.512 -0.269 50 20 IBGD CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764228538 XYGCLWIKEJQANO-QMMMGPOBSA-N 434.496 -0.489 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 764345002 NFWAIVJQJGDGNF-UHFFFAOYSA-N 447.473 -0.470 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cnn(C)c3)CC2)cc1 765734128 WZMINRDUJPNAMR-UHFFFAOYSA-N 434.522 -0.575 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 767823173 REDLBURAJPEHTB-ZNMIVQPWSA-N 437.522 -0.128 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 777938720 DWWAGUAQKLRCNE-UHFFFAOYSA-N 448.523 -0.039 50 20 IBGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)N3CCN(C)CC3)ccc21 807380007 MKLSVAIRDCRNPO-UHFFFAOYSA-N 446.512 -0.055 50 20 IBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 811684083 UKUJQCCKADANJJ-UHFFFAOYSA-N 434.430 -0.354 50 20 IBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1115984358 OYBQPJMMUYJJEX-CQSZACIVSA-N 425.515 -0.553 50 20 IBGD CN1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1781000803 ZVWLVOYVQVAQMS-YCRPNKLZSA-N 430.509 -0.530 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3cncc3c1)C2)c1ccc(B(O)O)cc1 1795734108 CZURZRNTEYVMLK-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nccc2nc[nH]c12 1796236077 WXBDDCYAYVMGHU-XOIINTDNSA-N 435.249 -0.845 50 20 IBGD Cn1cc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750920 VMZPGZLXQQDQBL-DPIQGUFMSA-N 430.440 -0.320 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797970325 IBMPFCMAXTVFFX-QKGCVVFFSA-N 434.331 -0.099 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801121101 ZIVZGJCUOXIFFD-AZKPJATDSA-N 428.283 -0.326 50 20 IBGD CN1N=C(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)CCC1=O 1806620470 WXHTXGDDRRJSPD-UHFFFAOYSA-N 440.309 -0.181 50 20 IBGD CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1)C(=O)O 1809831747 GHANJIQGCQTPAL-QGZVFWFLSA-N 431.298 -0.726 50 20 IBGD CN1CC(C(=O)N2CC[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)C1 1810308656 LOKLFHAKICEIOB-HNAYVOBHSA-N 437.504 -0.039 50 20 IBGD Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1C 1831985256 VXCSVFXJGDWUAL-HXUWFJFHSA-N 437.497 -0.266 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nc1 1834374667 VMPSLEPPIQWLOT-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834516587 CLFHOULOXCMWLS-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277193 FXAMASLDSDITKQ-BDJLRTHQSA-N 445.318 -0.441 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)cc1O 1839197899 LGYSKPVWKFPSNA-WFASDCNBSA-N 435.250 -0.114 50 20 IBGD O=C(c1cnn2c1OCCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839516381 OMICLMYOINLMPJ-KDOFPFPSSA-N 428.873 -0.665 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1O)CCO2 1839910166 YMWXTAMRIDJTKG-JOCHJYFZSA-N 448.520 -0.236 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840184665 AKLZURBIVDLBQK-BPZDKFOGSA-N 440.541 -0.633 50 20 IBGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1cnccn1)N1CCOCC1)c1cnccn1 741767528 YJTZANKVRYAPSV-SFHVURJKSA-N 439.480 -0.262 50 20 IBGD COC(=O)CCNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755604769 SWYDKGVOOCCXQI-GFCCVEGCSA-N 426.451 -0.433 50 20 IBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cc1C 763728877 SKJSWWSUJHTNPS-UHFFFAOYSA-N 427.465 -0.524 50 20 IBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 764080976 BDVBUPSHIPBVFG-LBPRGKRZSA-N 442.494 -0.152 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)n(C)c1=O 764329624 LSXZYNRIYUFCGF-UHFFFAOYSA-N 447.402 -0.253 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 775675835 KIMYKKVSSQGCTE-UHFFFAOYSA-N 441.432 -0.069 50 20 IBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 786687750 JRDXEUKMSQJVHJ-KGLIPLIRSA-N 438.506 -0.240 50 20 IBGD Cc1nn(-c2ccccc2)c(N)c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 794920271 IKJLEUNVBLTAQM-UHFFFAOYSA-N 435.448 -0.340 50 20 IBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 799529892 ZPTNIRGNOZYTGO-UHFFFAOYSA-N 432.505 -0.604 50 20 IBGD CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1 800622004 DVWQHCOSWZEEAT-UHFFFAOYSA-N 441.444 -0.364 50 20 IBGD O=C(CNS(=O)(=O)c1cccnc1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 810318380 XYOUCHNQWAZKLK-UHFFFAOYSA-N 425.492 -0.056 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(O[C@@H](C)C(=O)O)c1 814785605 YLDMHZCPBIWGJS-NSHDSACASA-N 435.462 -0.037 50 20 IBGD COCc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc(C(=O)OC)c1 815593566 QIQUPXROUXJFCC-UHFFFAOYSA-N 432.389 -0.272 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1778357280 UUZOCWZMPIMMKI-RDJZCZTQSA-N 449.321 -0.329 50 20 IBGD C[C@@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(F)(F)F 1779028106 DMJPDRBGQFBFML-IAGOWNOFSA-N 445.398 -0.558 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788016640 QMYPVIMBMANRHM-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cncc(O)c1 1791109708 PARSDSUEGCOOJB-JVPBZIDWSA-N 425.250 -0.626 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1791254107 NFZDPNIEPXEVIU-FJIDUMEYSA-N 442.988 0.000 50 20 IBGD COC(=O)C12CC(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)(C1)C2 1796192147 NQFQRKQOLJOWMV-JVBCMJPNSA-N 426.278 -0.039 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186700 QESJZSGNZBVGSO-DGXTUMSLSA-N 431.375 -0.005 50 20 IBGD O=C(CCN1CCOCC1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809583120 KYZCAQKFCFBFOF-UHFFFAOYSA-N 443.353 -0.067 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1813069290 WOTQDYQOBKBKRN-OXJNMPFZSA-N 447.540 -0.268 50 20 IBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1)c1cccc(B(O)O)c1 1821470411 MNLCKNBZWLBPEJ-GFCCVEGCSA-N 439.262 -0.554 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830543271 OMJSASOOYDEMNV-CZUORRHYSA-N 430.303 -0.235 50 20 IBGD COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)(C1)C2 1830735636 JJOVLCMSBKQZCR-GPIZFROPSA-N 430.885 -0.614 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccn(C)n3)CC2)CC1 1834218977 RAYBHVGCYJREES-UHFFFAOYSA-N 433.557 -0.022 50 20 IBGD O=C1NC(=O)[C@H](CC(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)N1 1836715406 SNTLFALHTARSTF-KBPBESRZSA-N 430.889 -0.817 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716577 CNHWYLPRXITZDR-SFHVURJKSA-N 438.717 -0.422 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456491 NHAZKMAMWVEOLZ-XXHMAFKTSA-N 449.508 -0.838 50 20 IBGD O=C(Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837626603 HPROCQIWLSGDCY-KDOFPFPSSA-N 426.857 -0.924 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)N1CCN(C)CC1 1839105202 UOWKQTBESTZBLC-KBXCAEBGSA-N 437.368 -0.118 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840149217 IOACUFDYLFYMBH-QAPCUYQASA-N 435.974 -0.255 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840155833 JCDOTGFSVXQZDA-NHYWBVRUSA-N 445.822 -0.625 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840156601 WPOYSMOBXNSLJZ-KBXCAEBGSA-N 434.921 -0.930 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185073 HLQNRWPRJZGSKY-OXQOHEQNSA-N 441.529 -0.383 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1840186042 WWBVOLWLECTPPO-OAHLLOKOSA-N 426.848 -0.353 50 20 IBGD Cc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 110883254 GCYFUANDIRTUKA-UHFFFAOYSA-N 445.501 -0.011 50 20 IBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733348564 PQZVEUIYOYCAEO-UHFFFAOYSA-N 427.465 -0.105 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 755279156 MBHQOOSXHYJKSS-CYBMUJFWSA-N 433.446 -0.263 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2c(C)noc2C)n1 762850937 DNNDWJDOUUCFRS-UHFFFAOYSA-N 445.479 -0.732 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnn(Cc3ccccc3)c2)n(C)c1=O 765721990 RNHRKFZFHFZQQT-UHFFFAOYSA-N 436.432 -0.860 50 20 IBGD COc1ccc2c(ccn2CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765731847 SHIJGPMGTKYJNQ-UHFFFAOYSA-N 439.432 -0.755 50 20 IBGD O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)NNC(=O)C(=O)N1CCCC1 799666350 HNNBYBZYJISIER-UHFFFAOYSA-N 435.865 -0.290 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783355064 IKYXJXGLMYITSE-SJCJKPOMSA-N 428.283 -0.085 50 20 IBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1783850890 XIVNWXBAQUAPJE-GVXVVHGQSA-N 437.888 -0.329 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)[C@@H](O)CCl 1784097213 UZFCJZHUGIJZAF-BJDJZHNGSA-N 435.955 -0.574 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc2ccccn2n1 1787843727 JUXHNYLOMBBLBA-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)n1 1789925686 HIEDPNFPERXEFL-YVNDNENWSA-N 433.282 -0.010 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2)c1ccc(B(O)O)cc1 1795735176 NRBODQRQIOHZLC-XOIINTDNSA-N 439.233 -0.993 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1797751513 BWOGJLSRNVJCMT-DPIQGUFMSA-N 429.433 -0.713 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806771677 LKSVIQFMGLOBKZ-BEFAXECRSA-N 439.538 -0.495 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1813073303 KSXZMGXSLVLKKO-KUHUBIRLSA-N 429.481 -0.664 50 20 IBGD CS(=O)(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050994 JQPOOACJNDOBCC-GOSISDBHSA-N 436.339 -0.356 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832024673 NBJJLPGIQGONBC-IFXJQAMLSA-N 443.884 -0.988 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)s1 1835928739 XICLFCQBSAPARB-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1836234441 QBXBPTKPLSGEOD-UGSOOPFHSA-N 431.848 -0.101 50 20 IBGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837384892 KYVNAGFDUZTFHH-ZBEGNZNMSA-N 425.313 -0.046 50 20 IBGD O=C(c1nc(O)n2c1CCCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837754966 YLKCSRLSCBJVPX-KUHUBIRLSA-N 442.900 -0.405 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949747 YILFLBYENAAYIN-RDTXWAMCSA-N 442.856 -0.501 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838474612 JWSAFBBFIIZZEO-UGSOOPFHSA-N 427.841 -0.520 50 20 IBGD COC(=O)COc1c(C)cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1C 746488997 ORRJSEXYFQEWSH-UHFFFAOYSA-N 449.489 -0.110 50 20 IBGD O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 747349303 CUCJIHVQUMTXOD-MRXNPFEDSA-N 438.506 -0.477 50 20 IBGD CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 751283456 WFLFNAYWFWQSFE-UHFFFAOYSA-N 430.464 -0.731 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756791836 XQWAZMYTGQYUOI-WCQYABFASA-N 440.478 -0.045 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Br 764233272 UFCBSJRTKDCAIZ-LURJTMIESA-N 425.236 -0.388 50 20 IBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 764425693 QWORZWCVLFFKLX-CYBMUJFWSA-N 435.462 -0.366 50 20 IBGD CCOC(=O)c1cnc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc1C 778425210 NNBDXFNQZQOAAK-UHFFFAOYSA-N 430.425 -0.758 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778436425 JRADVYONYNNKSA-NSHDSACASA-N 425.467 -0.103 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1ccccc1S(N)(=O)=O 788228577 NGCHPGWXYBXFOB-SNVBAGLBSA-N 430.512 -0.506 50 20 IBGD CN(C)S(=O)(=O)C[C@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)C(F)(F)F 805044743 ZMSSHVSLJSKRIU-VIFPVBQESA-N 445.445 -0.369 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815779389 CYYHALNLBLQETK-OAHLLOKOSA-N 442.494 -0.009 50 20 IBGD CSC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 919886236 RQDFECLZTKQZKB-FVCCEPFGSA-N 446.551 -0.589 50 20 IBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 919888565 FXAODMLZBAOWNM-YVEFUNNKSA-N 441.441 -0.890 50 20 IBGD C[S@](=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1321354625 GSAVDTRZXGUJNW-NDEPHWFRSA-N 444.535 -0.437 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n(C)n1 1779028420 LFAZKXIOXFWYET-HXUWFJFHSA-N 427.465 -0.516 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779076643 QAWGGTFBBJMAKG-DAYGRLMNSA-N 434.873 -0.435 50 20 IBGD C[Si](C)(C)OCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1779539648 ITBXJSTUJGXPSF-AUUYWEPGSA-N 440.573 -0.096 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782360507 MDHGQSDAURHGGD-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783341675 DFGSIMDKBWZMET-BZNIZROVSA-N 431.287 -0.458 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1783885398 ZSHKCSZHBOIWMK-ZBEGNZNMSA-N 435.955 -0.070 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787506882 SOWIVKWMSHSZGO-NKUPWMOVSA-N 439.900 -0.300 50 20 IBGD CCc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)co1 1788990377 XMTHDORTGMLANE-ZVZYQTTQSA-N 427.266 -0.176 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795890762 SRQARFNQGLCGBO-MGRLTOJPSA-N 428.453 -0.998 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797438805 CDEDDQGNLMQMGK-HBCWATKFSA-N 434.497 -0.758 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1ccccc1=O 1797937314 JLROYGISTSKRBZ-IHSNIMORSA-N 433.509 -0.628 50 20 IBGD CN(C)CC(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806461104 XSEWPMHCEIQCLW-HNAYVOBHSA-N 425.493 -0.039 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370916 NMIBTFMYQMJFRS-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825219633 DTILCXZMJKDXPA-GXSJLCMTSA-N 445.505 -0.108 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)CCO2 1830495295 IOTSVWNLPOEQOP-KNKQGSTJSA-N 428.294 -0.518 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1830534602 CDPOUOLVGQYDQN-WBMJQRKESA-N 430.303 -0.084 50 20 IBGD CC(C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798071 QVPAJYPZTZBVNB-HXUWFJFHSA-N 431.342 -0.432 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837201053 DWRHRDAXSAEMJH-ACJLOTCBSA-N 435.905 -0.228 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1845071006 MYGOTWCZINKVMT-AEFFLSMTSA-N 425.294 -0.416 50 20 IBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739411357 JFHDQUOFWXFUJJ-HNNXBMFYSA-N 444.535 -0.082 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1 744621232 MKDLBUGRHCPMBY-UHFFFAOYSA-N 446.551 -0.178 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 759039863 FWHIBWGUTJMGKZ-UHFFFAOYSA-N 434.430 -0.157 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763825457 XYMWDHJCKHZLMO-UHFFFAOYSA-N 449.489 -0.274 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 764230423 HZKBJZZYLWOYKF-GFCCVEGCSA-N 448.505 -0.152 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770223865 XNSRUVRIMBRGHR-KRWDZBQOSA-N 427.820 -0.082 50 20 IBGD N#Cc1ccc(NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 773697838 WMQKQDRQSAZIPT-UHFFFAOYSA-N 442.457 -0.239 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]nc2-c2ccsc2)n(C)c1=O 780925038 ABZMHFIZQPXRGL-UHFFFAOYSA-N 428.434 -0.654 50 20 IBGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 795303600 QMFQTWGJFWATKR-NSHDSACASA-N 435.480 -0.449 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)N2CCN(C)CC2)cc1OCC 811420864 MUNJOLXXTGCLTK-UHFFFAOYSA-N 443.526 -0.250 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCN1C(=O)CCNC1=S 816828035 PAUMFJPZYUERDK-UHFFFAOYSA-N 426.524 -0.454 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 919883083 APECXJRYMAQLKO-KBUPBQIOSA-N 440.522 -0.130 50 20 IBGD O=C(NCC(=O)N1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1318986803 UAZMHRLQZDPWSY-UHFFFAOYSA-N 439.494 -0.726 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778630699 YSZGCVAMKHCGOE-HXUWFJFHSA-N 440.290 -0.167 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784515136 LWWNJDQQHDAZQI-OAQYLSRUSA-N 434.541 -0.218 50 20 IBGD Cc1ccn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984480 KVOITFSIZLJOBT-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n[nH]1 1787168458 RRLKBVVLCGHMTH-FNHZYXHNSA-N 426.282 -0.441 50 20 IBGD Cc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797749591 GHRKMNYFNZGSGH-JJLQDPRZSA-N 430.490 -0.033 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ccc1O 1799793551 CTLSAOQSJKJMSC-KSPBDQMDSA-N 441.444 -0.387 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1ccnn1 1824683512 SPJUXGPCGDEWII-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826227171 DCEWGYSWWRBZHV-RYUDHWBXSA-N 436.538 -0.046 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1833805095 GNFFJSQBYHIXLZ-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cocn3)CCO2)C1 1834507004 BKKMWLWDDWALMI-IBGZPJMESA-N 430.421 -0.943 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnoc1C1CC1)CCO2 1834616755 WJMAORZHAKQZQG-OAQYLSRUSA-N 449.508 -0.005 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710243 QLQIMLGISIGDGQ-KRWDZBQOSA-N 436.603 -0.271 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203309 HVMFSAAWQWMRAN-OCCSQVGLSA-N 445.307 -0.432 50 20 IBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)C(=O)c1ccccc1 1847728060 TUWNZQXQDOLBTG-PMACEKPBSA-N 435.289 -0.046 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1nc(Br)cn3ccnc13)c(=O)n2C 750246569 MZJIBMSMYWYQQN-UHFFFAOYSA-N 448.241 -0.618 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 764317495 MOGISNZDWAUYCB-UHFFFAOYSA-N 448.885 -0.517 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2cccc3ccccc23)n(C)c1=O 765725046 PJPSDBHCBQNSRA-UHFFFAOYSA-N 436.428 -0.187 50 20 IBGD COC(=O)Nc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766642933 HRQVAMDTUMHOOC-UHFFFAOYSA-N 429.393 -0.927 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1OC 770097006 FTXGRZLSNQUREU-OAHLLOKOSA-N 445.494 -0.028 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(I)cn1 773545989 MQVYYUDJSUUXEP-QMMMGPOBSA-N 436.206 -0.176 50 20 IBGD CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 778644762 BUNINXCKSXFCMA-LLVKDONJSA-N 448.448 -0.237 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 799918758 ZFQRIPUSVUZSCI-CABCVRRESA-N 439.542 -0.259 50 20 IBGD COCC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 810346251 IRUCPXUCQUOODY-LBPRGKRZSA-N 436.531 -0.265 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 810466704 XAYKGJTVLXBORO-UHFFFAOYSA-N 444.473 -0.039 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 812728263 JCWAXQOEJDOIJW-OAHLLOKOSA-N 439.538 -0.439 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782170487 NHSUVDATTAPPTI-MBOZVWFJSA-N 438.717 -0.252 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)n1cnnn1 1782607551 SCFQREDARCXUOU-QMTMVMCOSA-N 436.517 -0.879 50 20 IBGD CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1783582410 QEUXMQQWAFDLOI-QAETUUGQSA-N 425.530 -0.746 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783876829 AVJKPUCGGQCBGO-KSSFIOAISA-N 425.873 -0.618 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784499865 ZAXZDAMLNFIZNL-IIBYNOLFSA-N 426.282 -0.657 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1noc2c1CCCC2 1796151301 PYOKYBZHAAATMJ-CCWDJLKJSA-N 439.277 -0.250 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)CC1 1796364414 FGDISCAFPQPIFU-XJFOESAGSA-N 425.910 -0.218 50 20 IBGD C[C@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ccc(B(O)O)cc3)C4)n[nH]c21 1796970447 IEEGRERMMRYNGV-FIIQBIKZSA-N 438.293 -0.344 50 20 IBGD Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)cc1O 1804892368 KANKLJUNLWAILA-OXJNMPFZSA-N 449.276 -0.166 50 20 IBGD COCCOCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807366187 XQZNTUFQRNMCSW-GHTZIAJQSA-N 441.293 -0.256 50 20 IBGD CS(=O)(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978669 VYLNTQMYTPQDCV-UHFFFAOYSA-N 436.339 -0.354 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ccnnc1O 1811226173 XZXSFLREHSADNL-VQIMIIECSA-N 447.260 -0.110 50 20 IBGD CC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1817024467 ODTOAWGKFSMLLE-WDEREUQCSA-N 439.542 -0.125 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830538822 RACQOXAMFLIIEJ-WFASDCNBSA-N 431.291 -0.840 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1830733581 PVCFCLOGPJNBRB-ROYATCLZSA-N 443.928 -0.557 50 20 IBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)c1cccnc1 1832728289 IKEGNWYILVOFIS-CRAIPNDOSA-N 428.848 -0.198 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccccc1)CCO2 1834708373 KIKAOQKDMWTQIU-QFIPXVFZSA-N 446.504 -0.301 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1840182795 VFDZCXXAJCIDDL-UWJYYQICSA-N 439.557 -0.700 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012447 PTMLQWMNVZZBLG-QZTJIDSGSA-N 426.278 -0.061 50 20 IBGD COc1ccc(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1Br 732305086 HGLUJLZSRXELNX-UHFFFAOYSA-N 432.256 -0.237 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)n(C)c1=O 733107028 TZUYNSJSKMHYKC-UHFFFAOYSA-N 436.432 -0.529 50 20 IBGD O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1)N[C@H]1CCS(=O)(=O)C1 742366916 CRAONOXQQLPMAD-DLBZAZTESA-N 445.501 -0.060 50 20 IBGD NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 749404197 VKAZLOZWQKEADA-UHFFFAOYSA-N 425.492 -0.157 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 756206813 ODNWTIHLWFDKHV-RISCZKNCSA-N 426.499 -0.773 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3c2OCCC3=O)n(C)c1=O 757979420 ZKTAIXUPANUDPQ-UHFFFAOYSA-N 441.404 -0.748 50 20 IBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1=O 763679983 AXMSQAKEXAZGEJ-UHFFFAOYSA-N 441.400 -0.552 50 20 IBGD O=C(CSc1ccccc1O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 764043149 PISWIPCXSCUIHF-NSHDSACASA-N 440.503 -0.203 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cn1 764239712 QJGXMSIWZVEIOB-UHFFFAOYSA-N 441.448 -0.614 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 785507329 KXNNTVMUTCTSDB-UHFFFAOYSA-N 442.501 -0.211 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)[C@@H](C)C(=O)NNC(=O)Cn2nc(C)cc2C)n1 790121625 VVJPQYPGQRCZIO-IYBDPMFKSA-N 446.512 -0.420 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2nc(S(C)(=O)=O)ncc2C)c2ccccc2c1=O 816806045 QMTFJRMBDSXGMR-UHFFFAOYSA-N 430.446 -0.007 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778559597 HZFWBPCLNHGLAN-JOCHJYFZSA-N 438.293 -0.344 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779410046 CYYLZZPUNLKNJK-HXUWFJFHSA-N 426.433 -0.457 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n[nH]1 1788689623 WCMCSLDCBDBEQI-SNRMKQJTSA-N 426.282 -0.766 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813501 MKNTWXSXJZPDSB-OBJOEFQTSA-N 437.457 -0.716 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1791250038 XCIOCWMOQAOJOA-XQLPTFJDSA-N 427.885 -0.465 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(N(C)C)c1 1794296459 KSNHBILNTMWWDI-CWPLJXCYSA-N 432.525 -0.276 50 20 IBGD CC(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)on1 1795734964 BVUKYTPLPKNXEO-CCWDJLKJSA-N 427.266 -0.005 50 20 IBGD CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737376 XLZKQXARENGVSJ-IZZQQSIFSA-N 440.309 -0.165 50 20 IBGD O=C(CNC(=O)c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191189 JGLFKNIMNCAENN-BJWYYQGGSA-N 425.250 -0.359 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798500629 RBOYHZFPNHHVPJ-LKQDWFRTSA-N 435.868 -0.454 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801014438 RBBHIUIYVCWLPV-YYAJDYIMSA-N 425.530 -0.746 50 20 IBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)Br)C3)c(=O)nc1O 1801972238 PFESUEKLMJNQMU-NRWUCQMLSA-N 443.298 -0.370 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809420186 SRNCRFMVMBHYPJ-UHFFFAOYSA-N 437.522 -0.426 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974191 SEMLBWBZYFVHST-NRFANRHFSA-N 446.309 -0.173 50 20 IBGD COCCOCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354866 VYXMBKKQKQBPPU-CQSZACIVSA-N 433.295 -0.288 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1820140685 MNENBRDKLDUCCA-FZMZJTMJSA-N 442.306 -0.261 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1834347303 STSOWMJESSYCHE-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)NC1CC1 1835657768 IKHJEDUDJAIUNS-LIMHQNJXSA-N 426.945 -0.008 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)on1 1837456141 CTMYRRXVOSODDD-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840151918 RDBXGSKCQPZPLL-LIRRHRJNSA-N 443.884 -0.280 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840152672 PLDPWGYKBPDNJK-VKJFTORMSA-N 446.957 -0.277 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 26694235 IDVXIYYPCXIUGJ-ZDUSSCGKSA-N 433.446 -0.750 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 730571817 UJCRFUIQZXGCGF-NSHDSACASA-N 433.918 -0.385 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)OC(C)(C)C 764228070 UPMIOPMFRFJUST-JTQLQIEISA-N 428.467 -0.335 50 20 IBGD CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764233349 VFUSXRCPUGRELF-SNVBAGLBSA-N 440.507 -0.382 50 20 IBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1cc(F)ccc1Br)S(N)(=O)=O 764270726 RTUPTSWATIQETP-ZCFIWIBFSA-N 425.236 -0.858 50 20 IBGD CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765732462 VEGVSVTUSUGIKZ-UHFFFAOYSA-N 430.421 -0.941 50 20 IBGD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767850570 LZPBWBGSBOAHPF-NSHDSACASA-N 448.361 -0.442 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 768240125 SHALMQFSUYFEGG-RXMQYKEDSA-N 442.679 -0.479 50 20 IBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 770636738 KTOSMWPSXWDYJK-UHFFFAOYSA-N 439.494 -0.306 50 20 IBGD C[C@@H]1CC(=O)C[C@@H](C(=O)NNC(=O)c2ccncc2)[C@H]1C(=O)NNC(=O)c1ccncc1 791120549 CZKNMWHIZJFVGB-JLZZUVOBSA-N 438.444 -0.070 50 20 IBGD COC(=O)Cn1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 794886828 OSGXOLQVSUBFNS-UHFFFAOYSA-N 444.473 -0.151 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778268 JMZGZJDDBSPTSZ-OAHLLOKOSA-N 440.478 -0.719 50 20 IBGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 1346610469 MCEBLUKGOUMRLP-UHFFFAOYSA-N 434.316 -0.041 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1779029149 LXZZOLFXGIFHTI-HXUWFJFHSA-N 425.449 -0.839 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010500 WOQGHRNAHJTBHQ-LXPZDEJYSA-N 443.460 -0.278 50 20 IBGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)(C1)C2 1783442499 DEFRKNOMXJWQFY-LZBANZJXSA-N 442.277 -0.847 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)C1(O)CCC1 1783511408 DOSSYLRWDUDHRF-BODMPHMZSA-N 445.520 -0.171 50 20 IBGD COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794728439 PBNSVKPDLBJACM-FVCICTRLSA-N 440.460 -0.394 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(F)c1)C2)c1ccc(B(O)O)cc1 1795736302 XKDRYYABGZYDNJ-CCWDJLKJSA-N 428.225 -0.272 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800229662 MXKYSUCKUZRYJE-JJAZEVLHSA-N 434.254 -0.869 50 20 IBGD CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801028963 KXKBEHFTRPMOCP-NOXHYTERSA-N 437.522 -0.998 50 20 IBGD COC(=O)CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801072111 AMUYSFYZIJOSRQ-UPHUGPLXSA-N 446.309 -0.307 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806767490 XNTGAQBWCFNUMH-APWZRJJASA-N 445.306 -0.874 50 20 IBGD C[C@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819800996 WNZQPGWESLNZGY-UWVGGRQHSA-N 431.478 -0.498 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829953615 JTURRKREXKOQIC-BEFAXECRSA-N 427.574 -0.180 50 20 IBGD COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1831383735 TUZMAECHFAQXTF-FQEVSTJZSA-N 426.514 -0.758 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1ccnn1 1839202773 PBPJLMASOKFGQV-TYNCELHUSA-N 434.266 -0.014 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)C1(O)CCC1 1840182696 IOXILMNDPXPTII-UZLBHIALSA-N 440.541 -0.633 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487711 UAEZCHSXWYYTAW-LAEWNIMASA-N 446.508 -0.681 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416210 LXGOKCPWUOWTIL-HJGVYBFFSA-N 434.453 -0.612 50 20 IBGD Cc1cc2nnc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c(C)n2n1 1843697365 VJCJBCBBALXZJM-UHFFFAOYSA-N 434.265 -0.448 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN3CCSCC3)nc2)CC1 732892250 YCZCGGAHNICRSH-UHFFFAOYSA-N 443.599 -0.307 50 20 IBGD Cn1c(N)c(C=NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)n(C)c1=O 749812671 QUMDNCBJUSGEIE-UHFFFAOYSA-N 434.478 -0.785 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756791834 XQWAZMYTGQYUOI-DGCLKSJQSA-N 440.478 -0.045 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 761685541 GMXVMEMGCKKSKU-UHFFFAOYSA-N 441.448 -0.773 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 764228189 VJULHDLKBSQMTB-JTQLQIEISA-N 427.483 -0.762 50 20 IBGD CC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 765110772 MTKPJZSVJHVYAF-UHFFFAOYSA-N 427.483 -0.283 50 20 IBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 793381039 JZYWWBNNHILVOD-CYBMUJFWSA-N 449.507 -0.311 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)c1cc(=O)n2[nH]nnc2n1 1777823195 MHQNBVZXJZHIRT-NSODJVPESA-N 427.824 -0.526 50 20 IBGD Cc1cnc2c(C(=O)N3CC[C@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)cnn2c1 1778528609 PHEDRRHJQUTOLJ-NRFANRHFSA-N 443.508 -0.146 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1779024285 BOQDCJIFKCCYRM-NRFANRHFSA-N 441.249 -0.325 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784394443 JAYYVOYACGFGFC-QGZVFWFLSA-N 425.515 -0.900 50 20 IBGD CC[C@@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784548837 FVDFHYIKWWJFKY-FGPFUNDFSA-N 433.509 -0.315 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786982982 JMQOELHUUMZXBA-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788673265 CLVYDNZDTXUYKF-AYDFFVQHSA-N 442.900 -0.054 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1791291078 KZWQWSBYTUQMDW-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD NC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccc1 1795734410 GUIKBTHWGQIWLA-YHELAOLJSA-N 437.305 -0.688 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2N1 1800319700 PENPDKWHGQILHP-HPNQWNLUSA-N 429.521 -0.014 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1830725135 FVWWFUYLXBNUKP-ZTQAJYAQSA-N 440.880 -0.118 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831584169 YKQPLJPIPJVPOX-XVAXZDLZSA-N 432.257 -0.671 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1C=CCN1 1835050858 JGBZDMHGXHFSKR-FQEVSTJZSA-N 426.326 -0.920 50 20 IBGD CC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734416 GCFCZEVLIJJRKG-SFHVURJKSA-N 432.525 -0.359 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1837596005 ZJKBBTURZVVZAR-HRAATJIYSA-N 434.298 -0.750 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840185342 LRPGGERCQXDRLH-FQEVSTJZSA-N 438.481 -0.785 50 20 IBGD O=C(CCn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840447987 PVLQGSIMTVAOQB-ZFWWWQNUSA-N 434.266 -0.185 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551218 QMXQKRMOWYDMLM-WFASDCNBSA-N 441.344 -0.339 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)n(C)c2)C1 730165905 MOSBJXOSOHBHJK-STQMWFEESA-N 446.551 -0.359 50 20 IBGD CCCCN(C)S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 733876287 GACBWUUSJMLCSY-UHFFFAOYSA-N 434.540 -0.081 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCCC2)ccc1O 745991583 ZRDAULDRHQVEPN-NSHDSACASA-N 431.492 -0.628 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)cc1 762878730 OWTFIIKOHVRVHS-UHFFFAOYSA-N 434.478 -0.063 50 20 IBGD O=C(C[C@@H]1NC(=O)NC1=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 763272489 NDTJANHUGOARPV-NSHDSACASA-N 437.459 -0.092 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@H]3COC(=O)C3)CC2)cc1 765730223 VKGRDJXHPVHIGL-OAHLLOKOSA-N 438.506 -0.598 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccccc1S(C)(=O)=O 766661299 AGGLWNZJSGDHPQ-NSHDSACASA-N 440.503 -0.001 50 20 IBGD COCCN1C(=O)c2ccc(C(=O)NNC(=S)NCCSC)cc2S1(=O)=O 770241177 WEGMCJXTAYGBKP-UHFFFAOYSA-N 432.549 -0.051 50 20 IBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 771608096 RNIVCZCOHQPZDF-UHFFFAOYSA-N 435.853 -0.058 50 20 IBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1 803937891 YAZLYJQEHAVPDB-UHFFFAOYSA-N 432.886 -0.180 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1 805833756 DLHALCBKWOALKE-CYBMUJFWSA-N 432.524 -0.152 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(C)(C)N2CCOCC2)c1 915894923 XJOPELYUKQAJIP-UHFFFAOYSA-N 427.527 -0.008 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1C1CCCC1 1320387711 PADRQUHTDFAESI-UHFFFAOYSA-N 428.453 -0.485 50 20 IBGD Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)no1 1779432247 WJHZWSQDVKNSPC-SPYBWZPUSA-N 442.900 -0.174 50 20 IBGD CC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969872 PSWOEJFZEZMVDY-XMSQKQJNSA-N 447.536 -0.067 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nncn4c3)[C@H]2C1 1788376485 QEQIEOZPOCKNKM-ULQDDVLXSA-N 443.508 -0.304 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3OCCC4)[C@H]2C1 1790372751 YZWNPUYGCCDNCJ-XIRDDKMYSA-N 448.524 -0.368 50 20 IBGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288018 OMCKZIZYDHFXHW-ULQDDVLXSA-N 439.557 -0.355 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1791293919 OGCQZRGKCGDLGE-ZVZYQTTQSA-N 432.525 -0.204 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)nc1F 1792376814 RRVYNQXZCKARPB-DPIQGUFMSA-N 425.436 -0.064 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1 1792695331 MQOAALSDYRNQPL-OCVGTWLNSA-N 430.910 -0.107 50 20 IBGD CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796135195 KRXWUMRIEWBDRZ-ZSBFGKGUSA-N 441.492 -0.273 50 20 IBGD C[C@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011646 XBPWEXOTUUHORH-ZJOBFFGXSA-N 438.554 -0.094 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1813070546 IPWWNIKOEZPZOT-DNVCBOLYSA-N 439.538 -0.495 50 20 IBGD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1ccnn1 1815348397 MGGRQGLHYIXZFD-BXUZGUMPSA-N 440.294 -0.099 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCCO)[nH]n1 1819403714 BQVKVVIHXHXLPN-HNNXBMFYSA-N 431.453 -0.277 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)COCCO)n[nH]1 1820926539 IXLFDKGIYOJDDB-HNNXBMFYSA-N 431.453 -0.277 50 20 IBGD CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830017398 KLQUHALEWIZPQJ-FQEVSTJZSA-N 435.481 -0.820 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830597906 UWTBUYKWLHRHNT-VSIOZEBNSA-N 445.476 -0.444 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1)[C@H](O)CCl 1833305943 FSHGQWYYTOTLSS-MRXNPFEDSA-N 440.928 -0.527 50 20 IBGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1833673860 AILWVRHMGNOLLW-LJQANCHMSA-N 440.476 -0.700 50 20 IBGD Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)cn1 1834191922 YBMDRKNLABCYFT-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1835935700 MPJVNJHRSIRTHA-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CC(C)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461144 PJIJRFRVDHCTFX-SHTLVRLNSA-N 431.493 -0.033 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837468072 ZGXZKIKVTJPEOF-DYVFJYSZSA-N 436.962 -0.819 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840036501 LYRXHDIPIZZGLE-DOMZBBRYSA-N 441.344 -0.339 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)ccc1OC 17195938 VVOMEUGMJYNWPG-UHFFFAOYSA-N 431.430 -0.085 50 20 IBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 740812344 DSOFRHGJKLIJQM-UHFFFAOYSA-N 432.524 -0.258 50 20 IBGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(S(C)(=O)=O)c1 757609586 ZLMDUDQDZYXAQR-JTQLQIEISA-N 447.491 -0.146 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 764320563 LKOUZROIECCKIF-UHFFFAOYSA-N 448.461 -0.095 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)on2)n(C)c1=O 765728515 SLGPJUBJDCEKNO-UHFFFAOYSA-N 441.379 -0.311 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)nc2n(C)c1=O 770954779 HHZAOIHBSCDFKL-UHFFFAOYSA-N 439.436 -0.011 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1=O 771276339 WNTXUAYKZKWXFM-YJYMSZOUSA-N 438.506 -0.046 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 772135404 KVYFILXTYJDVNV-MNOVXSKESA-N 426.451 -0.824 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(C(F)(F)F)nn2)n(C)c1=O 788304095 IHSHZEPJTAGOLC-UHFFFAOYSA-N 441.330 -0.905 50 20 IBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CN3CCCC3=O)c2)C[C@@H](C)O1 789856278 DMAOFVUIJUVJRG-OKILXGFUSA-N 438.506 -0.132 50 20 IBGD CCC(=O)Nc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 812535063 VOPYMMUUASECOE-UHFFFAOYSA-N 427.421 -0.757 50 20 IBGD Cn1c(=O)n(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 839287943 MQEYDPQYWZTTKC-QGZVFWFLSA-N 440.412 -0.129 50 20 IBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)C 916577477 CFUNJHFVZMNFJB-LBPRGKRZSA-N 427.483 -0.872 50 20 IBGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919886335 VSEHNCJNBPXSOV-FMTVUPSXSA-N 443.526 -0.359 50 20 IBGD O=C(COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)NNC(=O)[C@@H]1COc2ccccc2O1 1320938006 GWHOOLNQTVKDCR-WFASDCNBSA-N 438.458 -0.268 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779730067 BFHDRFXCXMLZBO-HXUWFJFHSA-N 431.204 -0.203 50 20 IBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)N1CCN(C)CC1 1780637583 XTXNNELTKHLMFS-WOCWXWTJSA-N 430.977 -0.264 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ccnn34)C[C@@H]21)c1ccc(B(O)O)cc1 1786982013 XOHZURMSLHFOIZ-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)no1 1788667612 KPFDZSNSFNWMTR-VIRABCJISA-N 428.873 -0.708 50 20 IBGD CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790606476 IOXAJYKUWAIZAI-KCMWZYNZSA-N 448.281 -0.479 50 20 IBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192935 ZNORSQMNFKGUEP-QDMKHBRRSA-N 447.347 -0.522 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2n(n1)CCCC2 1797440766 UBIJICUGCIEPCS-CWPLJXCYSA-N 438.293 -0.584 50 20 IBGD CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n[nH]1 1797749441 AAWVUUXFMIGYOA-DPIQGUFMSA-N 441.448 -0.872 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797789351 ICMWWQXSAGHKJG-KYHPRHEASA-N 444.557 -0.078 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011655 UPOKUVSQIGPVCG-ZTENYAIWSA-N 425.530 -0.746 50 20 IBGD CC[C@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1817024461 ODTOAWGKFSMLLE-MNOVXSKESA-N 439.542 -0.125 50 20 IBGD O=C(c1ccc2c(n1)OCCO2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727672 ASBHUNODJXICJB-KUHUBIRLSA-N 441.868 -0.478 50 20 IBGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccc[nH]1 1832873607 USRUIFVWIFUGHC-DNVCBOLYSA-N 442.900 -0.809 50 20 IBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1834206021 FJQQSKXGYPIBIG-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD Cn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835935234 JSIFZXHRXRVAFK-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836319410 FMLKYZVKNJLMFT-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838754304 MLDJKRTYNCXFLZ-HNNXBMFYSA-N 437.541 -0.506 50 20 IBGD N=C(N)SCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199562 QBYLKDUKRZERTG-ZWNOBZJWSA-N 427.296 -0.240 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840033102 UCDONUIKUGCSHB-QLJPJBMISA-N 445.270 -0.259 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840150364 KAGZFUOXPRENLD-JKIFEVAISA-N 440.946 -0.623 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1840185043 FTMYUYIOEPXZLT-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725901962 CKKGOZNBEYNGFJ-UHFFFAOYSA-N 436.446 -0.272 50 20 IBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1nnc(O)c2ccccc12 730672660 JJSRSHCEDIDLMT-UHFFFAOYSA-N 440.507 -0.342 50 20 IBGD C[S@@](=O)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 745845024 MRPYWQAZFPABGM-MUUNZHRXSA-N 446.551 -0.651 50 20 IBGD CC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 757779957 CNZWFDJREGCTDE-UHFFFAOYSA-N 427.421 -0.202 50 20 IBGD CC1(Cn2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)nn2)COC1 759768320 GUPCVLZHSRFZJC-OAHLLOKOSA-N 431.405 -0.541 50 20 IBGD Cc1nc2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2s1 762087416 PBKHZIQFJFOWQR-UHFFFAOYSA-N 427.446 -0.187 50 20 IBGD O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)C(=O)N1 764169038 SHCAYEQDUPXBOT-PBHICJAKSA-N 436.424 -0.019 50 20 IBGD CN1CC[C@H](C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 771912853 IDQPEMHIYIUQPS-MRXNPFEDSA-N 438.506 -0.734 50 20 IBGD CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 793392903 XSMORAQLHDXOBI-MRVPVSSYSA-N 427.888 -0.236 50 20 IBGD CCCn1nc(C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)c2ccccc2c1=O 798273182 QVJQBDDBAZJFHK-HNNXBMFYSA-N 444.492 -0.026 50 20 IBGD CCc1c(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cnc2c1c(=O)n(C)c(=O)n2C 801112127 XOXSLDKPJMUPMA-UHFFFAOYSA-N 438.444 -0.097 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 802722134 QMCXUPRXTAOCMF-UHFFFAOYSA-N 444.285 -0.482 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 920297334 ASHZBRKVBRAYQC-LLVKDONJSA-N 429.476 -0.048 50 20 IBGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1317989537 ZISSIRRTFRLCDH-UHFFFAOYSA-N 427.483 -0.882 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@H]1COC(=O)C1 1333548234 LVXBOYZJFMFNFQ-OAHLLOKOSA-N 439.490 -0.259 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1779032505 QZQXLJHIEULBIC-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nn1C 1786004192 RVPJXFVTKPHICF-IEZWGBDMSA-N 426.282 -0.685 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ncccc34)C[C@@H]21)c1cccc(B(O)O)c1 1786984516 ODDGLCFJCPDAIE-WBAXXEDZSA-N 449.276 -0.455 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1791254416 SWXJCLZGGXERAT-FPSMNIFISA-N 430.977 -0.144 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C[C@@H]21 1791293002 DZIRIRWFUGXCIQ-FPXQBCRKSA-N 446.552 -0.133 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)C=CC1=O)C2 1796892965 CCUKQLRTBJBEPX-NGYDUSEUSA-N 440.460 -0.316 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccn2nccc2c1 1797555652 TXCVUXDGMRFBRF-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cncn1 1815361924 UMTNUXKPIPLPLZ-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832684467 CYASTTZYZWNTDA-JCGVRSQUSA-N 430.889 -0.552 50 20 IBGD C[C@H](CN)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737013 RALYTARCPJWMBF-CQSZACIVSA-N 431.541 -0.535 50 20 IBGD O=C(Cc1cc[nH]n1)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920055 HYDWFQHZEDBBGZ-UHFFFAOYSA-N 440.309 -0.056 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1840183125 RYEBOUDOFDYHDP-SFHVURJKSA-N 432.468 -0.139 50 20 IBGD Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1840183895 HDUZGCJUSMYPSG-HXUWFJFHSA-N 436.513 -0.979 50 20 IBGD CN(C)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 728325866 UOPOMVLYPFJDQQ-INIZCTEOSA-N 434.449 -0.089 50 20 IBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 730577769 ZIHKVNJMDPTJRX-ZDUSSCGKSA-N 431.492 -0.286 50 20 IBGD CN(C)CCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764812715 POUWUEIJJHFYQP-UHFFFAOYSA-N 427.465 -0.476 50 20 IBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772195024 GSARAFMTUYVDKB-XOUADPBQSA-N 448.863 -0.344 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789116100 GNFGMAYXQQLOTL-FQEVSTJZSA-N 446.460 -0.085 50 20 IBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 792084922 QSYGPPISUPVEQM-HZMBPMFUSA-N 440.400 -0.864 50 20 IBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 795780601 SUPDVZKWLFBQPG-LJQANCHMSA-N 432.389 -0.180 50 20 IBGD Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 798337141 BDJZBMRDZMSBRF-UHFFFAOYSA-N 430.302 -0.325 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800623344 NCNVULJKUAKXJE-UHFFFAOYSA-N 431.497 -0.485 50 20 IBGD CN(C)c1c(C=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(=O)n(C)c(=O)n1C 807953442 SJMZSRADRHOLST-UHFFFAOYSA-N 442.885 -0.785 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779031869 GQHPVTLHFWJVLZ-CHDRTPPGSA-N 440.460 -0.159 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783532481 OKTYCZIXQUGVSH-PIGZYNQJSA-N 440.298 -0.147 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccn34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979577 AFQXWWDKWRTFHJ-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786983952 HBIZEAJAORPGRD-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2)c1cccc(B(O)O)c1 1795740557 BHCPKRMTBREFQG-IHSNIMORSA-N 438.293 -0.902 50 20 IBGD O=C(Cn1ccnn1)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354505 GBNPFZMMHPHTKU-CYBMUJFWSA-N 426.267 -0.660 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2)n1ccnn1 1824682426 GUDGMFGMIGFXLF-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833918004 BANKDIBRBOVNQQ-MRXNPFEDSA-N 437.928 -0.035 50 20 IBGD CC(C)NCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800974 FNQOBUQERKTEAU-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1835938489 WITOGCUOANZOPO-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837478064 WPXIXOANINYJIE-PMUMKWKESA-N 427.889 -0.667 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352296 KSEILDWSTDBKNK-UGSOOPFHSA-N 428.873 -0.191 50 20 IBGD CN1CC(C(=O)N2CCC(OC3CCN(C(=O)c4cnccc4C(=O)NN)CC3)CC2)C1 1838395416 NXMJSOBSTUKPIY-UHFFFAOYSA-N 444.536 -0.141 50 20 IBGD O=C(c1cnc(O)nc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198979 HBSQTFCYLDROAF-BONVTDFDSA-N 449.233 -0.352 50 20 IBGD C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(F)(F)F 1839894751 PLJCBIHCPHQKRY-QGZVFWFLSA-N 436.431 -0.066 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840130846 XJTMNKKNCRPBPJ-SZNDQCEHSA-N 447.492 -0.630 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263883 WAQRJRVQTQAIKL-ZWKOTPCHSA-N 448.303 -0.396 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 16786339 GBZKTVRGUPHYFQ-QWHCGFSZSA-N 447.510 -0.192 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nccn(C)c2=O)c1 747938438 VKAVIMDJRVRZDB-UHFFFAOYSA-N 436.494 -0.316 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1cn2ccccc2n1 763057741 NZZCNPQJICHMMQ-LBPRGKRZSA-N 444.473 -0.510 50 20 IBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2cccnc2)C1=O 763820990 QTCHUFYVZMEXKA-FQEVSTJZSA-N 442.407 -0.435 50 20 IBGD COC(=O)c1ccc2[nH]cc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 764816390 FYEGGGQFBHRSMV-UHFFFAOYSA-N 437.416 -0.148 50 20 IBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)Cn1ccc(O)nc1=O 765758371 KVEUWXXQQCYPTG-UHFFFAOYSA-N 434.884 -0.433 50 20 IBGD CCn1nc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccccc2c1=O 775462201 WBGJKIDZAFSPGQ-WFASDCNBSA-N 430.465 -0.004 50 20 IBGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)c1cc3ccccc3o1)C2 786131591 IVMGWMMIWAGUPF-UHFFFAOYSA-N 427.421 -0.251 50 20 IBGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779510 IRHPUNAOCNVPGC-SNVBAGLBSA-N 425.394 -0.236 50 20 IBGD COCC(=O)NC1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1317929676 QHZRRCRYQOIQJQ-UHFFFAOYSA-N 426.499 -0.439 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1779030556 CFUZEONOIYDFLD-FQEVSTJZSA-N 426.433 -0.457 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786749117 WKHMFEQJLHBFOA-BZSNNMDCSA-N 439.557 -0.939 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786799098 QZCKRRUPBNJOOH-QMVSFRDZSA-N 433.347 -0.410 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1[C@H]2C=CS[C@H]21 1790625688 ZJSOVAHGXFNHLN-SOGVPGBCSA-N 428.319 -0.165 50 20 IBGD O=C(Cc1ccccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795222837 GKXKXZYSYBGIJG-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1n[nH]c2c1CCCC2 1796161550 YRGDCTSQBZGFIQ-CCWDJLKJSA-N 438.293 -0.515 50 20 IBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797956991 VGMFSPOEEKZKKG-FVCICTRLSA-N 435.557 -0.260 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)CC 1800641609 FTFYYCWJJCRUGC-CYRBOEJBSA-N 436.303 -0.186 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801451448 CMIYQJRKYACCLO-KUZCPNRJSA-N 426.282 -0.664 50 20 IBGD C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1827054380 BCLLMKRXTCMSKI-DNVCBOLYSA-N 440.313 -0.153 50 20 IBGD C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831425381 CTKBNLJZKBHUAR-QVKFZJNVSA-N 447.492 -0.654 50 20 IBGD Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833907910 LGIPYSVBCIYRAF-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1835933771 CMLYHHWUNVRHGK-LJQANCHMSA-N 438.236 -0.518 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1835935022 BYOZFFAPXSHPDF-HXUWFJFHSA-N 448.281 -0.049 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1837701841 XOBLNIPWPKCVTI-PVXIVEMSSA-N 436.278 -0.176 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840153579 UOAOBCJQNZYRBW-NHYWBVRUSA-N 446.806 -0.198 50 20 IBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 728511697 AYDQEXNJMJSRRQ-UHFFFAOYSA-N 447.473 -0.463 50 20 IBGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 733194211 BBBFNJMAQQZYLR-UHFFFAOYSA-N 442.494 -0.453 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 764226155 GGHMTEPNKIVXNH-VIFPVBQESA-N 445.885 -0.510 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)CNC(=O)c1ccco1 765384363 WOZCXJNEJUGUSH-UHFFFAOYSA-N 429.437 -0.924 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3CCCS3(=O)=O)nc2)CC1 767173350 PXZPFNVCGSWPIF-CYBMUJFWSA-N 446.555 -0.779 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@@H](C)O1 809981440 KYFYQWNUXRCYTR-CHWSQXEVSA-N 438.510 -0.512 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 810572051 HKGZTRJSNIRIKH-UHFFFAOYSA-N 433.446 -0.860 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cn(CC(=O)N(C)C)nn1 920642547 QYDMBRPKUCFREX-UHFFFAOYSA-N 438.828 -0.354 50 20 IBGD CC(=O)N/C(C)=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781464120 DYRAJRGVBBEOOQ-GWXCNEDNSA-N 437.541 -0.087 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210151 HUEZYZGOCOSMDE-BXTJHSDWSA-N 425.530 -0.615 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782587484 HUNGRJYLQPZCCO-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1783874311 GOGVRFDLDKDCKT-ORAYPTAESA-N 439.900 -0.286 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1783933181 CZPWWLAUFPRDCK-NRFANRHFSA-N 443.508 -0.366 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(F)c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979430 ICEJEKKIQZJUSV-JVPBZIDWSA-N 427.241 -0.192 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4ccnc34)C[C@@H]21)c1ccc(B(O)O)cc1 1786979836 SSYCVKQYRZCAGU-VDGAXYAQSA-N 448.288 -0.079 50 20 IBGD COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984546 NRGAPLJERIDMHO-XIRDDKMYSA-N 440.265 -0.928 50 20 IBGD O=C(CCc1ncc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791479965 WHTJNLLPYGMLRW-SZMVWBNQSA-N 426.282 -0.684 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccc(F)cn2n1 1800135096 UDIGYKDHPCGSBT-IVWMJMPLSA-N 447.471 -0.555 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807366246 XYQVMMJAIQJALX-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)on1 1837456144 CTMYRRXVOSODDD-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2 1838317217 CEEJBOKUAHYUMG-MEGCXXLRSA-N 445.436 -0.726 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839061044 AGOZRQBOHDKNSW-OAQYLSRUSA-N 433.509 -0.547 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188312 BYBNMRJWWLOTSH-XHDPSFHLSA-N 428.269 -0.689 50 20 IBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841285868 UUQCMTGBSXZUIQ-CYBMUJFWSA-N 436.372 -0.049 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1843417082 UGJFOXBUBQHKLT-MEGCXXLRSA-N 433.465 -0.060 50 20 IBGD COc1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCOCC1 730091539 GZTYBRGNHHCTQF-UHFFFAOYSA-N 437.478 -0.628 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 731186254 LQOFPPHCUXAIGV-IUODEOHRSA-N 437.478 -0.298 50 20 IBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OCC 732308373 YWIQQUHXLHNGNC-ZDUSSCGKSA-N 427.479 -0.204 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 744511503 CYJMSGRIVWGNIN-UHFFFAOYSA-N 429.414 -0.640 50 20 IBGD O=C(CNC(=O)c1ccccc1I)NNC(=O)C(=O)N1CCCC1 748342731 HQMRUQWHSJVMGJ-UHFFFAOYSA-N 444.229 -0.209 50 20 IBGD CC(C)N1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1=O 750645350 MCXLCEGLXGGSPX-AWEZNQCLSA-N 439.542 -0.347 50 20 IBGD C[C@H](CO[C@H]1CCOC1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753947497 FPIXBESQXBLPPR-CABCVRRESA-N 442.542 -0.162 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 758041325 YGLFBJMPDUMLKO-SSDOTTSWSA-N 447.267 -0.870 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cc1 763814541 WHQYOQNAXIUCCH-UHFFFAOYSA-N 431.430 -0.369 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)Cc3cccnc3)cc2Cl)CCN1 764268605 NKTCGQTVHFSKDJ-UHFFFAOYSA-N 430.852 0.000 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(=O)Nc2ccc(C3CC3)cc2)n(C)c1=O 764378616 KRVUUQSRXMEQEU-UHFFFAOYSA-N 439.432 -0.903 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3cccc(Cl)c3)CC2)n(C)c1=O 766646226 XYKLTRZSSLBNMA-UHFFFAOYSA-N 430.852 -0.034 50 20 IBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 771964319 IZXIPIVHJPFBQM-ZDUSSCGKSA-N 444.510 -0.215 50 20 IBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 776626381 BKSBFWDQSZAQJX-HKBKRHGFSA-N 439.515 -0.040 50 20 IBGD CC(C)S(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812441216 UZZLUDRNZIVXGH-UHFFFAOYSA-N 448.571 -0.533 50 20 IBGD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1781337601 TVEXTBPIVJLUBE-KSMMKXTCSA-N 449.932 -0.308 50 20 IBGD COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782396605 XSCLRKYZQUANSU-AUUYWEPGSA-N 427.502 -0.771 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1783935594 VYXCRNHMCFZAOF-YVHKJVDXSA-N 449.552 -0.410 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1797583937 JXAISCLZFDXSGD-YGEZULPYSA-N 436.303 -0.329 50 20 IBGD CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc1 1833644190 HHTUZPREVDWZSK-APWZRJJASA-N 426.901 -0.183 50 20 IBGD O=C(c1ccnc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927514 QYXWPGUAUPQULF-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 728944354 ANXOOWCUHDNJLZ-CQSZACIVSA-N 429.485 -0.451 50 20 IBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728949723 VQGJBQWHBBAMGE-UHFFFAOYSA-N 427.531 -0.305 50 20 IBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OCC 732308371 YWIQQUHXLHNGNC-CYBMUJFWSA-N 427.479 -0.204 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)CNC2=O)c1 733658140 UJYHLSKVIMAGGR-UHFFFAOYSA-N 440.482 -0.787 50 20 IBGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 748458010 UVPJINCEBXAGPR-UHFFFAOYSA-N 426.474 -0.982 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)NNc2nc(Br)cn3ccnc23)cn1 750249333 FTGWJMMSRNJGJL-UHFFFAOYSA-N 429.260 -0.353 50 20 IBGD COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758038721 GFGBZUFAGMJMLP-LBPRGKRZSA-N 425.467 -0.404 50 20 IBGD C[C@]1(CCCC(=O)N2CCN(S(=O)(=O)CBr)CC2)NC(=O)NC1=O 758517966 MOFXALXVHJXPPT-CYBMUJFWSA-N 425.305 -0.419 50 20 IBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763009448 MFYTXBTVEGPEJA-LBPRGKRZSA-N 444.473 -0.130 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(C)c1=O 765727678 MGXHPJMIFFFMCU-VMPITWQZSA-N 427.377 -0.797 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ncccc3O)CC2)cc1 768291604 SNRHKGUKPLIQKH-UHFFFAOYSA-N 433.490 -0.137 50 20 IBGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 768571682 QJLSHYYLOFGAJL-HXUWFJFHSA-N 430.465 -0.150 50 20 IBGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1C 788023372 MBNVSOHWGNHVRN-AWEZNQCLSA-N 431.536 -0.219 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)n(C)c2)c1 912979463 WXFXPHCUURDYNY-UHFFFAOYSA-N 430.464 -0.403 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc2ccccn12 1787931736 QPSNMIONAITHNR-QRFRQXIXSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363803 OCEUHOZAAZAPCW-PXNSSMCTSA-N 434.265 -0.627 50 20 IBGD O=C1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1807365208 SNCAHLALAKFHNZ-XKGZKEIXSA-N 436.277 -0.640 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1825995165 UFYWXOIXWCOXRW-DTWKUNHWSA-N 429.886 -0.139 50 20 IBGD Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](O)CCl)C4)C3)cnn2c1 1836945054 YSUDWFWIOMAZLJ-KXBFYZLASA-N 437.884 -0.293 50 20 IBGD O=C(Cn1ccncc1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202686 MSIRUUZPCCYYCT-GOEBONIOSA-N 447.261 -0.610 50 20 IBGD CCc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)co1 1840184847 BLDFIRIJWFMLCL-HXUWFJFHSA-N 437.497 -0.320 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840185645 RNHCCUKBTYCERX-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1845179624 FTFCHMHFUFVWKW-INIZCTEOSA-N 430.509 -0.330 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730541029 KENVTCCFJXYCGV-CYBMUJFWSA-N 428.401 -0.019 50 20 IBGD O=C1NC(=O)c2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)ccc21 731596536 OMMPHPAJDTWWKE-UHFFFAOYSA-N 430.446 -0.414 50 20 IBGD O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 750828244 QSPQEICBADCGPR-HNNXBMFYSA-N 433.490 -0.072 50 20 IBGD CC[C@@H](NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(=O)N1CCOCC1 753060642 VOJINTPGXDUERU-CYBMUJFWSA-N 440.526 -0.130 50 20 IBGD CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)CO 753439262 WWFNYMFDTGBYAJ-NSHDSACASA-N 440.341 -0.011 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 756681973 DWUDWNACNHJTED-MRVPVSSYSA-N 425.464 -0.834 50 20 IBGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc12 758036263 PUJFEVDRDZFLSN-DTWKUNHWSA-N 430.512 -0.853 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)cc1 763861865 RNTICHRNMWQWIB-CYBMUJFWSA-N 446.464 -0.110 50 20 IBGD CC(C)c1cccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765725496 SWWSNMGCNDQRPJ-UHFFFAOYSA-N 428.449 -0.217 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(N2CCNC(=O)C2)ccn1 786686131 CRFZIENKSUKYSU-UHFFFAOYSA-N 445.505 -0.306 50 20 IBGD CSSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 793078322 LNNDUHNKDHSRBP-UHFFFAOYSA-N 432.549 -0.127 50 20 IBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 814211728 NVKIJBIFLUPVSP-UHFFFAOYSA-N 426.480 -0.878 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2ccc(Cl)c(S(N)(=O)=O)c2)c(=O)n(C)c1=O 814784657 HFEMNYAZSZQIAO-UHFFFAOYSA-N 446.898 -0.978 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914651481 MBQMBDWPPLCMOT-LSDHHAIUSA-N 437.474 -0.665 50 20 IBGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 919884431 FRRZQOUDVUITLC-LLVKDONJSA-N 434.471 -0.579 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c(O)n1 1779032806 VZHPKPFVHGCGHY-NRFANRHFSA-N 440.460 -0.149 50 20 IBGD Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C1)CCC2 1782435955 FBGZRIISJOIKHO-JOCHJYFZSA-N 438.293 -0.654 50 20 IBGD Cc1onc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1C 1784773109 SFBSBWWEHAUZIB-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nn1C 1786004163 OYRWRUFOLSHYFB-IEZWGBDMSA-N 426.282 -0.685 50 20 IBGD CC(=O)O[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(C)C 1788474361 DGPOQLQTIIQTIC-LEAZDLGRSA-N 446.309 -0.453 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1C 1794832836 HXAGLLHMIHADAH-NDMOTNCASA-N 427.465 -0.243 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnoc1C1CC1 1795005916 DKBRKBDMJDQBLM-JLVBRIDZSA-N 425.250 -0.251 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1796446100 MIHXBXNPSFHUGC-ZURUYJRKSA-N 429.477 -0.398 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1811183785 XLAKZUGQJXRSRT-ZENOOKHLSA-N 432.868 -0.110 50 20 IBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1ccnn1 1815360116 MUHSZLCCLQOYHP-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1826085418 RWJDLVWBPCQDLQ-ZDUSSCGKSA-N 438.554 -0.240 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727848 IDBYGMNOVFKNJH-QAPCUYQASA-N 430.889 -0.801 50 20 IBGD O=C1CCCN1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822460 OKRBIHDQPXGVKU-QGZVFWFLSA-N 432.315 -0.150 50 20 IBGD CC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835457996 QNVGVAAERPAQTG-GOSISDBHSA-N 427.408 -0.590 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837047277 NOASFPSJSYTIDQ-OAHLLOKOSA-N 444.916 -0.209 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837525729 OODKWUSIKMEDON-VBDKDBDFSA-N 433.889 -0.429 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840153213 HOOLXQVAVUDPGF-PXAZEXFGSA-N 430.893 -0.970 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185177 MDYAZFXACJVXKT-FOIQADDNSA-N 426.514 -0.569 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013689 AMDYRCHASUCUCM-ZVHZXABRSA-N 437.265 -0.683 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C1=NN(C)C(=O)CC1)C2 1843415250 CIFPDAVXAHGSJI-LPYMAVHISA-N 427.465 -0.068 50 20 IBGD COCCN1C[C@@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1=O 744622281 ZIIHOSOWGUHLRE-AWEZNQCLSA-N 426.495 -0.355 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 763881841 QVDUFEJDEUTCBR-UHFFFAOYSA-N 441.492 -0.326 50 20 IBGD Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 764022661 YJEYQHQBBYCKTC-BLLLJJGKSA-N 431.401 -0.046 50 20 IBGD COC(=O)CCN1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)[C@H](C)C1 774658555 HVKSABMTZZZFSD-CYBMUJFWSA-N 440.526 -0.097 50 20 IBGD Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NNC(=O)CNC(=O)c1cccs1 775200230 DJLZKGOWTLHNCQ-UHFFFAOYSA-N 425.492 -0.036 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1(C)COC1)c(=O)n2Cc1ccccc1 782563928 UCYIVERBEMAJSF-UHFFFAOYSA-N 440.460 -0.388 50 20 IBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 799918760 ZFQRIPUSVUZSCI-HUUCEWRRSA-N 439.542 -0.259 50 20 IBGD COc1ccnc(NNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 806983898 IVDWOBVVTYJDEC-STQMWFEESA-N 426.433 -0.036 50 20 IBGD COC[C@]1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 813420770 MWGJUFMFQJZXBU-SJCJKPOMSA-N 434.515 -0.223 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919884881 IWCGUWXBUJOFTF-ZDUSSCGKSA-N 432.524 -0.152 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779940215 GEBQLRFTYMCBAZ-XEKQOVJPSA-N 439.900 -0.043 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783174758 TUCYKVHFXNTMTC-LRDFWHPZSA-N 432.481 -0.525 50 20 IBGD O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785247468 WHWPTDFYICNMKU-UGQVUOCMSA-N 426.901 -0.286 50 20 IBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)cn1 1785834892 OGUKBSRTGWZBKH-KKXDTOCCSA-N 439.476 -0.309 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787493511 YIEAXZCOAZCWJE-PJGZEUCASA-N 432.930 -0.632 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccn2ccnc2c1 1788357158 YQSPTUVMFRLLIX-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1C(N)=O 1794563590 KESUOVRFFXFEKX-CLLJXQQHSA-N 437.460 -0.255 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCCC1)C2)c1ccc(B(O)O)cc1 1795734764 OZHPRDRSGBEDGE-RMFSNUHRSA-N 429.326 -0.554 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Cl)n(C)c1=O 1796802942 JQCLVHDWEPCWRH-FBKDDSFISA-N 440.863 -0.394 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cncn3c1)C2 1801011372 IKGIIEPWDJCCSK-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nc2nccn12 1801012792 LWAPWGNONHMAAM-CCWDJLKJSA-N 443.508 -0.386 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803650114 IYWSRTQLFGABTI-RVKKMQEKSA-N 432.481 -0.431 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807057222 YWYAZDURNJSKDZ-JKQORVJESA-N 425.917 -0.066 50 20 IBGD CC(=O)NCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821978329 GBXYJSWPJZSVRS-KRWDZBQOSA-N 427.270 -0.078 50 20 IBGD O=C(NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccc[nH]1 1832873609 USRUIFVWIFUGHC-HNAYVOBHSA-N 442.900 -0.809 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H](O)CCl 1833310710 QFSGSTCJNPDQSJ-SFHVURJKSA-N 437.733 -0.849 50 20 IBGD O=C(/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)NC1CC1 1835657767 IKHJEDUDJAIUNS-CWIOURORSA-N 426.945 -0.008 50 20 IBGD Cc1occc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929574 WYUDLFBLPDZMTF-NRFANRHFSA-N 428.250 -0.348 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1835930160 AFQWLGYVFJCRIG-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456560 KEMUBAOCCLHCPZ-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD O=C(c1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197626 CINATMUZHZWHTL-SWLSCSKDSA-N 433.234 -0.057 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cccc(OC(F)F)c2)n(C)c1=O 728486897 PVNSWANCXVCSKB-UHFFFAOYSA-N 436.375 -0.114 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)CCC2=O)c1 733848237 LVEKCQPGCFTDEX-UHFFFAOYSA-N 439.494 -0.190 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CS(=O)(=O)NC(C)(C)C)CC1 735118936 ZZPOAJSOSBTCQQ-UHFFFAOYSA-N 448.571 -0.821 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)co1 755400852 YRQQIRCNSAEENE-UHFFFAOYSA-N 430.464 -0.487 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 756499339 ZVNOUTCQMBNTES-JTQLQIEISA-N 434.471 -0.047 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(OC)c1C(C)C 764228289 XBHDNXSVRWUIMM-SNVBAGLBSA-N 430.483 -0.149 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 766657050 ZVUBNXDPIOCHRI-UHFFFAOYSA-N 435.440 -0.211 50 20 IBGD CN1CC(=O)N(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1=O 766659511 BSFHTDVHVYHBGU-UHFFFAOYSA-N 436.900 -0.501 50 20 IBGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)cn1C 767095797 DHKNNYDNULVKAH-UHFFFAOYSA-N 445.505 -0.632 50 20 IBGD CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)[C@H]1OC 776522828 HBIGYZWVPDOBOM-ZMSDIMECSA-N 442.542 -0.164 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 806787064 AEDYPUXCUVNFLB-CMPLNLGQSA-N 432.503 -0.587 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1ccc(Cl)cc1 808935361 UFZKBLMPQQGFSS-SECBINFHSA-N 442.885 -0.142 50 20 IBGD COCC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 814876698 BELFCZKHZYVSJF-UHFFFAOYSA-N 429.393 -0.491 50 20 IBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 891769540 ARNUIGLIVDMCPX-UHFFFAOYSA-N 444.473 -0.258 50 20 IBGD COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)CNC(C)=O)N(S(C)(=O)=O)CC2 913161042 DGNCYGAKFDBCBB-AWEZNQCLSA-N 442.494 -0.764 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCN2C(=O)CNC2=O)c1 920199410 MBKCHKRBBVNEPP-UHFFFAOYSA-N 439.494 -0.190 50 20 IBGD CCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779031172 MVOBKPFBPMCAKX-FQEVSTJZSA-N 427.465 -0.341 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)nc1F 1783386905 UNPIMRFCPSWHLF-JQFCIGGWSA-N 445.231 -0.053 50 20 IBGD Cc1noc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785977193 WTDUHIYHNJOJNW-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609815 LOIORTXHOSKBEJ-LEUJJRGWSA-N 444.492 -0.682 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1791289370 WIUZHWDIQOIOIH-BZSNNMDCSA-N 432.525 -0.238 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(Cl)cn1 1798064629 OIGDPLKSVVTHAQ-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1 1801009265 XOKOWMQEVZDTOV-GQSCTRQFSA-N 448.520 -0.309 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803143066 SOOCWHGVXYEPRB-TWMKSMIVSA-N 426.901 -0.162 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@@H](O)CCl 1814867400 KDCFOQXGTPOGNW-KBPBESRZSA-N 447.945 -0.268 50 20 IBGD C[C@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350295 OVMHLMVFLWVVOG-MFKMUULPSA-N 430.295 -0.440 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccnnc1O)CC2)c1cccc(B(O)O)c1 1815361205 ZWQAJAMOIWSIJJ-GFCCVEGCSA-N 439.262 -0.142 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ncc1[N+](=O)[O-] 1830728049 NNODVGLUMNJBHC-YJBOKZPZSA-N 442.856 -0.032 50 20 IBGD N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728637 WUKYTUHQQIFRAC-TXPKVOOTSA-N 426.901 -0.993 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737252 FWGQPHKMGLLMRT-PJIJBLCYSA-N 449.932 -0.044 50 20 IBGD NC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1 1830737985 KWLUMDXYJWWXEP-BEFAXECRSA-N 425.869 -0.545 50 20 IBGD Cn1cncc1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834244003 OLBYTOCHLNLPST-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1)C(=O)O 1834740085 MYOOTNDJIKDVCC-JKSUJKDBSA-N 432.949 -0.126 50 20 IBGD C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932005 KIDXPEYVQUATDH-IBGZPJMESA-N 438.236 -0.352 50 20 IBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839224923 RXJZTEYEBMZECN-KKSFZXQISA-N 447.297 -0.763 50 20 IBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262408 LVEDJPYCGNAYOU-KRWDZBQOSA-N 444.282 -0.847 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 726250710 AYEZYTMSDRWQLQ-UHFFFAOYSA-N 443.464 -0.526 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccc(S(C)(=O)=O)cc1 748156939 RVDPHFNSURVNTM-NSHDSACASA-N 440.503 -0.001 50 20 IBGD COC(=O)c1cn(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nn1 748619528 JLSHEUAJJPWRPK-UHFFFAOYSA-N 437.482 -0.856 50 20 IBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 751566006 XDJKYOYGNOSFQH-UHFFFAOYSA-N 429.462 -0.301 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 762963245 BGSCSHZUGXAUOY-MEDUHNTESA-N 448.457 -0.560 50 20 IBGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002254 KTCSGAXLNAWFDG-AWEZNQCLSA-N 440.522 -0.072 50 20 IBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 764303852 PNAHSWMQWNVLJE-VXGBXAGGSA-N 428.467 -0.783 50 20 IBGD O=C(C[C@H](C(=O)NN=C1CCN2CCC[C@H]12)N1CCOCC1)NN=C1CCN2CCC[C@H]12 765578018 QVROSAQHYCCDKO-VAMGGRTRSA-N 445.568 -0.242 50 20 IBGD CC(C)c1noc2ncc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 765725921 VPEFYACAVSNQGR-UHFFFAOYSA-N 440.420 -0.446 50 20 IBGD CC[C@@H](C)[C@@H](NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F 772538913 SIVOIPHLOLWFIE-LDYMZIIASA-N 433.391 -0.259 50 20 IBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772896811 CJAQCRRHZRIZBO-APYUEPQZSA-N 430.848 -0.089 50 20 IBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783423893 BIQGCLGINRQJIS-BEFAXECRSA-N 438.506 -0.495 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(C3OCCO3)c2)n(C)c1=O 808861303 YLTHJEDEAFNRGK-UHFFFAOYSA-N 443.420 -0.668 50 20 IBGD COCCOCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 812534772 RGTLFXKVCGDGGX-UHFFFAOYSA-N 444.448 -0.942 50 20 IBGD NC(=O)COc1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 913395890 UXSWYYBDERQPMO-INIZCTEOSA-N 429.385 -0.305 50 20 IBGD CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3CCC(=O)N3)CC2)cc1 913475088 DFDVCNSVDBLOHH-MRXNPFEDSA-N 438.506 -0.088 50 20 IBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916580366 RXHLYWZJUWQHPW-UHFFFAOYSA-N 449.555 -0.448 50 20 IBGD COc1cccc(/C=C(/C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 920744776 FEMRJSXOZGUFDO-MLJKTZRHSA-N 435.466 -0.494 50 20 IBGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031175 MZIMRXFBXQOHSU-WUUFJKRQSA-N 431.449 -0.752 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781603403 AGSCNSPBTKAHEM-NRFANRHFSA-N 428.225 -0.032 50 20 IBGD CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1781762376 VDHVHPLJHWPXDB-ZNUZEINGSA-N 446.508 -0.230 50 20 IBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1782624921 WHZSCBGAPSBUSR-OZZVMTRDSA-N 444.492 -0.010 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257544 ZFKCDXWCOAIIKV-PBHICJAKSA-N 436.347 -0.866 50 20 IBGD Cc1nccn1CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784404714 JOIWIINZAOCYPZ-JOCHJYFZSA-N 440.309 -0.205 50 20 IBGD CCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1786169820 RULJDZPXPFGDNL-OWQGQXMQSA-N 441.492 -0.191 50 20 IBGD CCn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cc1C 1786981097 RLISSWFPGIEOGH-QRFRQXIXSA-N 440.309 -0.202 50 20 IBGD COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nn1 1789105374 PGJISRFZUAOWPT-DZKIICNBSA-N 434.497 -0.549 50 20 IBGD O=C1C[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CCN1 1815361544 JHFCMLBAZXTTNZ-OCCSQVGLSA-N 442.306 -0.425 50 20 IBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)co1 1834206020 FJQQSKXGYPIBIG-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD CC[C@@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834685353 YEDRQVSAFZEDNQ-IIBYNOLFSA-N 444.385 -0.075 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835597995 RCIXENTVTWIHHS-QSFXBCCZSA-N 427.546 -0.811 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1837942307 ZJWVZYRKNAEEMB-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197498 YZUGMQQGVINMQL-AAAUKVELSA-N 448.289 -0.008 50 20 IBGD C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839887573 JGKTYAFTPAIEJW-IBGZPJMESA-N 438.236 -0.352 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840153092 COXQTLVMCCENSJ-QWQRMKEZSA-N 434.921 -0.596 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185465 MOZNMMNHHLZBCZ-FQEVSTJZSA-N 436.513 -0.530 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840435289 RLGXNMFRUFHVEN-LPHOPBHVSA-N 428.917 -0.364 50 20 IBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 27318652 HESMZLOWLQWENW-ZDUSSCGKSA-N 426.495 -0.688 50 20 IBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 741918812 JNYMZPOORVBCKE-UHFFFAOYSA-N 436.446 -0.668 50 20 IBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 745587148 VQXWZRTXHFTWJQ-UHFFFAOYSA-N 425.444 -0.375 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 756300732 MZBGOLNPQNRSRB-VIFPVBQESA-N 429.480 -0.028 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 764228513 XPEZHBFGNZLSCX-STQMWFEESA-N 442.494 -0.342 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 764229613 BISHMXFWWODMAI-CHWSQXEVSA-N 441.510 -0.897 50 20 IBGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)CNC(=O)c1cccnc1 768244888 TXKSBASWMARIQG-UHFFFAOYSA-N 439.476 -0.517 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1-n1cnnn1 784004578 YHYFQQJVVRQHAQ-UHFFFAOYSA-N 428.434 -0.452 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 912918705 CAIZIAQIFYHLSP-OKILXGFUSA-N 437.522 -0.238 50 20 IBGD CC(C)C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 919883079 APECXJRYMAQLKO-APIJFGDWSA-N 440.522 -0.130 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784034638 KOBFEARLZKZIPI-BVJQPZNLSA-N 444.492 -0.524 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784545101 BFVKVPMUISXNRB-OPAMFIHVSA-N 439.277 -0.328 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1784631579 CWQAZBTWTCBQPD-QKKBWIMNSA-N 441.492 -0.105 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979563 ZDKJBLMJHSCILI-JBACZVJFSA-N 443.353 -0.164 50 20 IBGD Cc1ncc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)s1 1786983493 LSPCFDNKXNZOED-SNRMKQJTSA-N 443.334 -0.033 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1cccn1 1788610964 GQNHQPNAUOGTOV-USJZOSNVSA-N 441.492 -0.264 50 20 IBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1789871470 BMECMTWTFVSDGV-YRBFXIGRSA-N 440.368 -0.511 50 20 IBGD CN1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1 1795737618 BPNPIGZLGCWTSJ-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CC1 1797306458 RPUVJOCIFCENEV-OCVGTWLNSA-N 449.321 -0.569 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cn1)C2 1797750982 ZBVNSWRCICINFY-DBWKPXFBSA-N 442.451 -0.335 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807617409 LCUBQNUFMIZTEC-HNAYVOBHSA-N 429.485 -0.853 50 20 IBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1808369482 GOHGGUDWGUIVAN-JOQOYGCGSA-N 439.476 -0.466 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1811183783 XLAKZUGQJXRSRT-XEZPLFJOSA-N 432.868 -0.110 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc[n+]([O-])cc1)CC2)c1cccc(B(O)O)c1 1815360153 AJWGSMNQKHMXKW-OAHLLOKOSA-N 438.274 -0.004 50 20 IBGD Cn1cnc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnccc4C(=O)NN)sc3C2)n1 1819795133 IJRAMXTVRMYDIV-SECBINFHSA-N 441.477 -0.190 50 20 IBGD O=C(CN1CCOC1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831020222 QURYCXZVRMTXTO-IUODEOHRSA-N 438.250 -0.415 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831486934 HUEBSDZSUUUXHB-FXAWDEMLSA-N 436.339 -0.609 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799897 LNOFECVOLSWZJE-HRAATJIYSA-N 445.369 -0.041 50 20 IBGD CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185180 MDYAZFXACJVXKT-MGPUTAFESA-N 426.514 -0.569 50 20 IBGD O=C(c1ncn2nc(N3CCOCC3)ccc12)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559671 JMLQSKVZFAZDMG-OFQRWUPVSA-N 448.911 -0.019 50 20 IBGD C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1cccn1 728331075 AAPZAAGFONJLGH-XJKSGUPXSA-N 445.432 -0.567 50 20 IBGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728958575 ACLNPLBWKYIOLF-HNNXBMFYSA-N 444.540 -0.282 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 729276379 DIWXFGQWMZSSPJ-UWVGGRQHSA-N 447.311 -0.113 50 20 IBGD Cn1c(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)nc2n(C)c1=O 744680093 IVJQQDWSBWREPS-UHFFFAOYSA-N 436.384 -0.878 50 20 IBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)o1 751297929 UAAUDOBBTHNONB-UHFFFAOYSA-N 444.491 -0.179 50 20 IBGD C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 756913210 DMYOSSJZPVOYMB-CYBMUJFWSA-N 433.436 -0.111 50 20 IBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(S(C)(=O)=O)c1 757673528 HQBVEGZVNDYEID-SECBINFHSA-N 433.464 -0.536 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1-n1cnnn1 763837978 KIMVPSXSNYVOHJ-UHFFFAOYSA-N 429.368 -0.025 50 20 IBGD CC(CS(C)(=O)=O)=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764817781 IBUQGQJPWWHVBC-UHFFFAOYSA-N 430.552 -0.162 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(F)(F)F)o1 771416968 UAQOQBVMLMUJJD-UHFFFAOYSA-N 428.327 -0.185 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(C(F)(F)F)n2)n(C)c1=O 775750362 LVDHFBXPKLMDIP-UHFFFAOYSA-N 440.342 -0.300 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2c(O)ncnc2cn1 778997827 JUHZBRNYASVHLC-UHFFFAOYSA-N 435.444 -0.051 50 20 IBGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NN=c3cc[nH]cc3)c2)CC1 783370421 RKBSZWNSLAMZQO-UHFFFAOYSA-N 432.506 -0.089 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1 816817768 JXUFEFXSNWFBTL-NSHDSACASA-N 438.462 -0.131 50 20 IBGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782646979 DXMFOXOGSOMMFV-RISCZKNCSA-N 425.324 -0.009 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N)s3)[C@H]2C1 1786934578 PBDKINVPCJVDJM-BPNCWPANSA-N 445.505 -0.369 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982705 FCKOYXPYNNFWCJ-WDSOQIARSA-N 440.309 -0.376 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978041 AIKMIOUCDATSRP-VJTDZRGJSA-N 435.905 -0.939 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793611196 MJIBUIOBIUBWDG-JRATXPSKSA-N 442.310 -0.078 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794591579 DROMSBJRQAOKAM-NECFCHHASA-N 428.453 -0.848 50 20 IBGD CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737222 GXXICTPNRNCQEF-CWPLJXCYSA-N 438.293 -0.656 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2)[C@@H]1SC(=N)NC1=O 1796878202 QXODKEDEKYWUPH-VBTGVMJWSA-N 438.554 -0.200 50 20 IBGD CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750509 IPBDKAFOEGHRMD-XOIINTDNSA-N 443.508 -0.830 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2 1797754071 KXEMFALCPVRKCW-PJVYJWHNSA-N 431.493 -0.561 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799659260 OCRDJSVUNJPOAD-SLAYPKMVSA-N 436.465 -0.620 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)CN3CCOC3=O)C2)CC1 1805764319 DOZKCAWKTWKWBA-UHFFFAOYSA-N 444.492 -0.018 50 20 IBGD O=C(Cn1ccnc1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1805879446 YZRPVKKHDCWQMD-NQIIRXRSSA-N 433.277 -0.022 50 20 IBGD O=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)=NN1 1828861974 SEHHVZUWXCJSHZ-GOSISDBHSA-N 426.282 -0.524 50 20 IBGD O=C(Nc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731165 IILCCEFDWAFCPE-KBXCAEBGSA-N 426.857 -0.924 50 20 IBGD Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1834051127 IFBMULUGMROBNH-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)no3)CC2)CC1)c1cccc(B(O)O)c1 1834800924 AQQXKUAUWXDSLJ-UHFFFAOYSA-N 442.281 -0.441 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1837201101 GYKLDULPLTWMTP-PMUMKWKESA-N 435.905 -0.085 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839126600 ZQIMZTYCHFODFO-HTAPYJJXSA-N 428.294 -0.207 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840152101 XKUZKDWIFGDTLH-HNAYVOBHSA-N 427.885 -0.442 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccc(F)c2)c1 744621617 VSVXMHUOFOUJDD-UHFFFAOYSA-N 434.405 -0.020 50 20 IBGD C[C@@H](NC(=S)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC1 751619399 UUCGFAQDNJWOBD-LLVKDONJSA-N 427.552 -0.040 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(-c2ccc(Cl)cc2)n1 764233340 UYNADQNIDAOBNT-JTQLQIEISA-N 442.885 -0.142 50 20 IBGD COc1ccc([C@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765728378 OMBSVAHRVSDCHB-GFCCVEGCSA-N 428.449 -0.217 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(C(F)(F)F)cc2)n(C)c1=O 765728922 TWXJGYJWFUXIIT-UHFFFAOYSA-N 438.366 -0.157 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cncc(O)c3)CC2)cc1 768291183 NZETZHYZYLRSLS-UHFFFAOYSA-N 433.490 -0.137 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1 770969888 VFTOCWYMIBQBJT-NSHDSACASA-N 449.497 -0.047 50 20 IBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 792301996 UTSHBYXGDJQJCP-HNNXBMFYSA-N 436.328 -0.266 50 20 IBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)CNC(=O)OCc1ccccc1 794070630 WKGSNHQRTJEQKD-UHFFFAOYSA-N 435.462 -0.176 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)c(C)c1OC 797005733 TWHOFEMAEISOBC-VIFPVBQESA-N 432.455 -0.956 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(O[C@H](C)C(=O)O)c1 814877165 JXRLXUPIQSZRID-GFCCVEGCSA-N 442.432 -0.174 50 20 IBGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc(C3CC3)nc21 914720166 URZDZXSOXPPBOT-LLVKDONJSA-N 449.489 -0.020 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1779034056 KNWKSMBHQKLOLD-ZGDBYOLNSA-N 431.493 -0.320 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCO2)C1 1781974635 NSOULHNBLXPGPV-CBGDNZLLSA-N 431.493 -0.008 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784549965 OLKODKKJUIZVMR-OPAMFIHVSA-N 439.277 -0.328 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1ccnc1 1786982711 FEHCNIVRIVZVEU-XIVBQZFQSA-N 426.282 -0.583 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOCC1 1795908287 YMWUGBREHHPYBS-MUJYYYPQSA-N 430.509 -0.341 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797587221 FZTNNCBHKQTYHR-SSSAOXCUSA-N 426.239 -0.669 50 20 IBGD CC(C)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(C)C 1797750433 CFPPXTNODPEPND-WTLGNFPFSA-N 446.552 -0.089 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3ccnc13)C2 1797751748 RASXTFSCKJYSLA-ZSBFGKGUSA-N 449.471 -0.150 50 20 IBGD CN(C)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798883335 DUDZSTNURLQDBD-RMFSNUHRSA-N 437.305 -0.051 50 20 IBGD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799098021 YYUFSQCUOGRCAH-RMRDIRSESA-N 433.509 -0.697 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1802092943 UOKOLCYAZIPHFY-YWVIFJGQSA-N 447.492 -0.522 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826938299 SYDXGDNRHJLLRT-IRXDYDNUSA-N 438.573 -0.428 50 20 IBGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1OC 1830731412 JHMIIHOMOYWRLD-DJJJIMSYSA-N 443.884 -0.232 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831498159 JZCROZBJVRRMBZ-IEBWSBKVSA-N 430.571 -0.230 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)on1 1834221973 FYNINURUKPXGEC-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1835926269 JPVOQWFHOYPDCH-RXVVDRJESA-N 432.282 -0.995 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837455620 AKIYWPDHVBKKBM-XVAXZDLZSA-N 447.467 -0.353 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1838528444 YMVIXOFBCQAPSF-IBGZPJMESA-N 436.421 -0.451 50 20 IBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839967475 NOHZARVRXJEOJM-BLLLJJGKSA-N 436.303 -0.028 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150548 NAESGAPZVJUXFC-CJNGLKHVSA-N 426.919 -0.869 50 20 IBGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)[C@H]1COc2ccccc2O1 727752942 NDYGAZYHUBFZBD-QGZVFWFLSA-N 433.442 -0.018 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=S)NCC2CCC2)c1 727866766 YOMSJTZANBAUDR-UHFFFAOYSA-N 427.552 -0.038 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2ccc(OC(F)(F)C(=O)O)cc2)c(=O)n(C)c1=O 730727968 DKWYEVMCXYXEKD-UHFFFAOYSA-N 443.388 -0.222 50 20 IBGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)C1 741207765 QBXIWVXFAKFYDH-UHFFFAOYSA-N 444.452 -0.497 50 20 IBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742491281 RJBYEOBYSDVXOA-MNOVXSKESA-N 428.492 -0.914 50 20 IBGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)cc1 758030630 RSRNZASXYRIINV-GFCCVEGCSA-N 440.482 -0.700 50 20 IBGD C[C@H](CC(=O)NNC(=O)CNC(=O)c1ccco1)NS(=O)(=O)c1cccnc1Cl 760497199 ZOHMJGCFBKRJHY-SNVBAGLBSA-N 443.869 -0.038 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 764228311 XKPFSCPGGBIWNV-NSHDSACASA-N 425.467 -0.773 50 20 IBGD C=CCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 765721951 QBCPXDXELARFBC-UHFFFAOYSA-N 442.432 -0.532 50 20 IBGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCS1(=O)=O 773186583 KQAQJKFOKAZIDJ-HNNXBMFYSA-N 442.450 -0.041 50 20 IBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN(CCS(N)(=O)=O)CC1 799983115 VLFOYZCJRMHMOH-LBPRGKRZSA-N 433.918 -0.246 50 20 IBGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c(O)c1 1780552484 QALXXEBNQMVRAH-QFIPXVFZSA-N 440.261 -0.162 50 20 IBGD COCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969439 GRPLOEOEQIZLRE-NRFANRHFSA-N 433.509 -0.191 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783355700 XDALRKPYJPZYBL-YOEHRIQHSA-N 436.347 -0.724 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787450205 WREKZEOBHYEOME-SLZITWOASA-N 429.880 -0.029 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788292576 JGNSOLRBXPZQTE-XIRDDKMYSA-N 443.508 -0.304 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)CN1 1804971795 ISJLALDVNKJNPT-QGZVFWFLSA-N 427.310 -0.263 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370838 LKUKMSCUIXSKCN-DNVCBOLYSA-N 435.249 -0.177 50 20 IBGD O=C(CN1CCOC1=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967493 JROWQIJNJIGMAP-UHFFFAOYSA-N 429.282 -0.337 50 20 IBGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)[nH]1 1831853724 LBIGHEXTESYUKK-FQEVSTJZSA-N 443.464 -0.900 50 20 IBGD O=C(CC(F)(F)F)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835331572 OQZNZYJNYJKYCU-QGZVFWFLSA-N 430.188 -0.611 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837842114 WDGPILBWOOBERI-CVEARBPZSA-N 432.949 -0.168 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030263 HGQXARZMPFBMFI-SWLSCSKDSA-N 441.344 -0.339 50 20 IBGD Cc1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184284 GVHHUDRXHGXNNX-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)n(C)c2n(C)c1=O 728211544 XOKVMSZWRSFIHP-UHFFFAOYSA-N 446.489 -0.227 50 20 IBGD CN(C)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 733359380 GAIHONCZFRDCLS-UHFFFAOYSA-N 440.522 -0.042 50 20 IBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743831381 VZJUTWHYJGYHFX-UXOAXIEHSA-N 436.446 -0.595 50 20 IBGD COc1nccnc1NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 766261312 SFGBIYGRNWJYFC-HNNXBMFYSA-N 442.432 -0.419 50 20 IBGD Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002685 JMYUAOWOQQDZDJ-UHFFFAOYSA-N 429.433 -0.059 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(OC(F)F)nc2)n(C)c1=O 801954892 MVOHOQBGSRNPTA-UHFFFAOYSA-N 438.351 -0.717 50 20 IBGD COc1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1S(N)(=O)=O 808257551 FJEWDXRKZHCCKS-UHFFFAOYSA-N 441.491 -0.336 50 20 IBGD CC(Cn1cccn1)=NNC(=O)C[C@@H](C(=O)NN=C(C)Cn1cccn1)N1CCOCC1 814854968 BYLXSXBYFHAQNZ-SFHVURJKSA-N 443.512 -0.145 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319302509 XPMRPDJAAFCRQV-ZDUSSCGKSA-N 429.520 -0.358 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778443098 CDEGMIWOMRRSOJ-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1779268361 IFKHDIIKSBHBTF-HRAATJIYSA-N 433.509 -0.388 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782705312 SVDXJOOCASVLPJ-XOBRGWDASA-N 434.254 -0.629 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783333603 ACGBFHDIKSRCLP-OFNKIYASSA-N 438.289 -0.587 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783536056 CUTFEFOJMSCHPF-QLJPJBMISA-N 426.271 -0.198 50 20 IBGD CC(C)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(C)C 1795737530 RTVPAKFEHYITKU-PIKOESSRSA-N 431.342 -0.408 50 20 IBGD CN[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C(=O)O 1796892039 CKHMEQRQYVYRSL-BLRDNKIZSA-N 432.481 -0.179 50 20 IBGD Cc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c(=O)[nH]c1C 1798440653 GPDBGVHXNUXJET-BTTYYORXSA-N 439.476 -0.049 50 20 IBGD CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810302854 MTOHXVMIINTBAR-YOEHRIQHSA-N 439.476 -0.512 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1826085503 XIURRBOJQIVOJW-QWRGUYRKSA-N 439.542 -0.979 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831584168 YKQPLJPIPJVPOX-CBNMVNINSA-N 432.257 -0.671 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837735885 CDODHYJFEBBMCI-MLGOLLRUSA-N 426.297 -0.602 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105239 VKPAAFHVXHMVGD-FUHIMQAGSA-N 446.976 -0.668 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051057 HLFIGHWNYZCMLJ-PZTGFMGMSA-N 438.525 -0.617 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840140073 ODYMEFVWYRPDFX-QOIOWGMHSA-N 444.912 -0.202 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840182326 HCVJXGZMWKYEIM-FQEVSTJZSA-N 436.465 -0.708 50 20 IBGD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013823 RKANOTJYUWABQE-UHFFFAOYSA-N 446.272 -0.024 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23080802 KDPWVJJHCYYRIO-NHYWBVRUSA-N 436.446 -0.861 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cocn1)c(=O)n2Cc1ccccc1 729310567 PFYCRNCAJZVVCH-UHFFFAOYSA-N 437.416 -0.123 50 20 IBGD Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729628902 IQTQESFOZKYZIO-UHFFFAOYSA-N 432.404 -0.073 50 20 IBGD O=C(Cc1cccnc1)NNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 738476472 WXXBRNVOLWEUSX-UHFFFAOYSA-N 426.481 -0.186 50 20 IBGD CN1C(=C(C#N)C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)N(C)c2ccccc21 748427578 JJVRCNDHZQOZFS-UHFFFAOYSA-N 430.446 -0.036 50 20 IBGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 749352894 MUOQQOGGEHVPMZ-UHFFFAOYSA-N 427.527 -0.410 50 20 IBGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)CNC(=O)c3ccco3)C2)nc1 753281242 WMADVRQLJQGJNR-UHFFFAOYSA-N 430.421 -0.200 50 20 IBGD Cn1nc(SCC(=O)NN=C2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)n(C)c1=O 760239639 NTVLELNZDKUDFK-LLVKDONJSA-N 436.454 -0.037 50 20 IBGD COC(=O)c1ccc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765313218 PYROPHZOFIEPSY-UHFFFAOYSA-N 443.420 -0.618 50 20 IBGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 766260126 ABSOCHJSVXCBFY-UHFFFAOYSA-N 449.493 -0.497 50 20 IBGD CC(C)(O)C(=O)NNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 768260309 ARDIWGHOSNCOHU-UHFFFAOYSA-N 440.478 -0.313 50 20 IBGD COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1O 773394168 XWKMAMHRFHSPSI-FNORWQNLSA-N 428.405 -0.991 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Br)c(F)cc1F 786416536 FIVFSUSTUAAZOV-RXMQYKEDSA-N 443.226 -0.249 50 20 IBGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 787948419 DXOUVXRHTKNHJN-UHFFFAOYSA-N 427.479 -0.208 50 20 IBGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1F 797368573 DQWZFFLRTRRPRZ-UHFFFAOYSA-N 431.380 -0.063 50 20 IBGD COc1ccc(Cl)c(NC(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 802110361 FYUBSYFHNOKHTC-UHFFFAOYSA-N 435.828 -0.051 50 20 IBGD Cc1cc(C(=O)NNC(=O)N2CCOCC2)cc(C(=O)NNC(=O)N2CCOCC2)c1 813427779 MZNQFGJEAPVDLK-UHFFFAOYSA-N 434.453 -0.632 50 20 IBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 816880060 BPWPRCWKQUITSU-GJZGRUSLSA-N 448.505 -0.241 50 20 IBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916110115 IGTTUYUFPPHJDT-UHFFFAOYSA-N 444.491 -0.131 50 20 IBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CC1 1317761639 HFORZJIYSBNWND-RZXPCSSPSA-N 429.520 -0.063 50 20 IBGD COCc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)C1CCN(c3ncccn3)CC1)CC2 1319158733 ZLPCFMCLHBUENN-AWEZNQCLSA-N 429.485 -0.224 50 20 IBGD CC(C)n1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1780380778 LWPOOBUPAYKHTN-NRFANRHFSA-N 426.282 -0.099 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1CCC(CO)CC1 1785053880 OXGKYVMRVKZVOT-JOZKFPCRSA-N 444.337 -0.242 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4cncc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979751 OMNPNCNSMJJDIL-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981885 FDTBKBNLFGOBMM-LQJIQPLVSA-N 430.310 -0.224 50 20 IBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(Cl)CCl)C[C@@H]21)C(=O)C(=O)O 1790635698 ZKZMEFKXJFAASW-UWCDFFNFSA-N 438.308 -0.255 50 20 IBGD COc1cccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791288123 ZYXXJOQMMMYZQZ-SZMVWBNQSA-N 447.536 -0.015 50 20 IBGD Cc1nc(N)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737458 ISAMSCXELQOZNL-AGGWBTHJSA-N 430.295 -0.769 50 20 IBGD CS(=O)(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054948 PZVBMAHPBXVJQB-SFHVURJKSA-N 436.339 -0.356 50 20 IBGD Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834334643 DREGYUHQMQHSJX-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(Cc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928397 NTVRLYHGEQLLLO-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 1835929591 XTADSVCSGORTEX-HXUWFJFHSA-N 430.291 -0.188 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934327 VRTMLDAKZFFODT-NRFANRHFSA-N 432.282 -0.948 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079537 CMMIUUWOKSGAGS-QDEZUTFSSA-N 434.331 -0.661 50 20 IBGD COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)(C1)C2 1840004607 HMXDNVIGRHEMSH-GPIZFROPSA-N 430.885 -0.614 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1840244801 RTNDJGPUYKHXDK-ZYSHUDEJSA-N 440.664 -0.639 50 20 IBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)[C@H]1SC(=N)NC1=O 1844264218 USHKHPIOHODDJO-ZWNOBZJWSA-N 445.505 -0.695 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 728721062 URTUXOXWTFQQIO-AWEZNQCLSA-N 444.473 -0.195 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 747461987 RPSSBIYFCHQTPL-GFCCVEGCSA-N 435.549 -0.382 50 20 IBGD COc1nn(C)c2nc(C)c(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c12 758041180 WXRBWCTWHAOGFA-LLVKDONJSA-N 426.499 -0.389 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3)c2)CCN1 763423449 QZFFGEWXFOWGJC-UHFFFAOYSA-N 445.457 -0.793 50 20 IBGD Cc1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2F)c1 764231746 PUQLUOFEUUFXRQ-JTQLQIEISA-N 426.430 -0.657 50 20 IBGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)cn1 764423625 CPEGSGZOYYKJSC-OAHLLOKOSA-N 443.416 -0.156 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCN(C3CCCCC3)C2)n(C)c1=O 766636804 PDEWEJGUQMQAEP-CYBMUJFWSA-N 431.497 -0.764 50 20 IBGD Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)N1CCCC1 807545057 AJNFXLLTOXGQEU-UHFFFAOYSA-N 431.902 -0.120 50 20 IBGD Cn1c(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)nc2n(C)c1=O 913374481 FYNGJXYHJQHLPD-UHFFFAOYSA-N 445.819 -0.096 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCOCC2)c1 915884761 GKMQHDUHBWCHGT-UHFFFAOYSA-N 427.527 -0.007 50 20 IBGD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nc1 1786979873 NGQPKEJHOAVSGL-QSFXBCCZSA-N 439.277 -0.323 50 20 IBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)s1 1787058633 JXJIHPGVXGEWHV-KKUMJFAQSA-N 438.554 -0.258 50 20 IBGD CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788490608 FBZRPLQDRNLNNE-ZSZGWDQASA-N 430.571 -0.502 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC=CO3)[C@H]2C1 1788581861 YIPVMEPIURBFRM-RUGDWHBFSA-N 429.477 -0.029 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)COC3)C2)c1ccc(B(O)O)cc1 1795734226 JYZZVIHYBWXBQL-CEQLMSFQSA-N 436.273 -0.086 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796138537 FKHKDEJEYBKQOW-DPIQGUFMSA-N 442.432 -0.992 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802918834 KGGGXLONQLOTBW-RRKGCFTPSA-N 428.449 -0.468 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1813069019 RSVDUDFYFOLCIN-RVKKMQEKSA-N 432.481 -0.431 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817469783 DZJNBWFNOOLBKU-LRDDRELGSA-N 427.270 -0.093 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817475788 UNBRFIBCJYQWMO-MRXNPFEDSA-N 442.285 -0.333 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831020412 XXSWVIJVUODISG-SFHVURJKSA-N 429.546 -0.254 50 20 IBGD N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cc1 1835939551 SMFOZWPBQYAUEQ-QHCPKHFHSA-N 449.272 -0.378 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840153090 COXQTLVMCCENSJ-HBUWYVDXSA-N 434.921 -0.596 50 20 IBGD O=C(c1nc2ncccn2n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188522 OAPPOWUGEXOMIY-MRXNPFEDSA-N 429.264 -0.002 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)CCc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc1OC 109027134 JRBMOYRQKFXPKF-UHFFFAOYSA-N 430.421 -0.249 50 20 IBGD Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2cccs2)cn1C 726642417 AIGZASDUYDKXFH-UHFFFAOYSA-N 429.480 -0.537 50 20 IBGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNc1ccc(-n2cccn2)nn1 726710811 TVZWVSDRWQBMTD-UHFFFAOYSA-N 437.468 -0.183 50 20 IBGD COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276318 CBYNJRHOFRZFPV-WCQYABFASA-N 446.551 -0.368 50 20 IBGD Cc1ncsc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 729508727 LJNRRHUNEGUANF-UHFFFAOYSA-N 442.479 -0.496 50 20 IBGD Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)nc2c1c(=O)n(C)c(=O)n2C 737468776 UALFGXXSIMPZRL-CQSZACIVSA-N 425.401 -0.458 50 20 IBGD CCCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 762003072 NYATUDJYLQIWNZ-UHFFFAOYSA-N 447.583 -0.215 50 20 IBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1ccc(F)cc1Br)S(N)(=O)=O 764083998 CRWJIFCAMCCPAC-ZCFIWIBFSA-N 425.236 -0.858 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCn3cncn3)CC2)cc1 766635887 IGBQVGUHTKDEOA-UHFFFAOYSA-N 435.510 -0.869 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767462588 PSCUJRSYKLSTQO-GHMZBOCLSA-N 439.487 -0.512 50 20 IBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772907663 ZAIBXLKDXHGBPZ-SNVBAGLBSA-N 442.885 -0.796 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cc(C(=O)O)n(C)c2)cc1 912979350 JTBHXEZBIKGVIQ-UHFFFAOYSA-N 444.491 -0.338 50 20 IBGD O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782234433 SRCMRFFGTCEDPN-UEKVPHQBSA-N 429.823 -0.222 50 20 IBGD COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1784287964 HSSWBYVKLHVSLO-DVBSWERSSA-N 435.481 -0.281 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786983121 KBOLVDAXBFNGRS-SZMVWBNQSA-N 444.293 -0.697 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(F)c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984433 GGIKCDRGDDORLP-JVPBZIDWSA-N 427.241 -0.192 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21)c1cccc(B(O)O)c1 1786984492 MQYOGTLUVORPKZ-FNHZYXHNSA-N 426.234 -0.773 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788957198 XMNTXWGKDUYBHO-XEGUGMAKSA-N 429.437 -0.979 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2)[C@H](O)CCl 1792974857 DVAOWMRONNCRKM-IUPFNGILSA-N 440.884 -0.818 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796430510 YNAUQWURKWEZHE-QPHKQPEJSA-N 432.930 -0.368 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2c(O)nnc12)c1cccc(B(O)O)c1 1796725181 CJBXHMTXEYCDHS-MUJYYYPQSA-N 435.249 -0.320 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ncccn2n1 1797478216 QDZMSVJXOJKPCY-CLLJXQQHSA-N 435.448 -0.312 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797801492 RYDKHQUWWDTBNH-MPZWGZMNSA-N 434.331 -0.742 50 20 IBGD CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826082925 GAVGMVZWQOREBI-LLVKDONJSA-N 445.567 -0.137 50 20 IBGD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1O 1830243457 NXBLLBMMYAWWLK-JXFKEZNVSA-N 442.896 -0.001 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830543249 OAUAACUSBTUWDQ-AYMQEEERSA-N 434.331 -0.803 50 20 IBGD N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939286 KNSVWHFGPVDKOF-HSZRJFAPSA-N 449.272 -0.378 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835939798 INAKOVZYPCYIPI-QGZVFWFLSA-N 431.081 -0.760 50 20 IBGD O=C(C1=COCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840214799 WSFVKOUUGKRSKC-OAQYLSRUSA-N 430.266 -0.869 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)no1 1843013870 XISPDGSKVGDREJ-UHFFFAOYSA-N 426.238 -0.491 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(=O)CN(C)C)CC2)cc1 733361017 ZPHMSZIJPPKJHN-UHFFFAOYSA-N 439.538 -0.683 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1OC 746497909 UYSAICCMVRLZPH-HXUWFJFHSA-N 433.465 -0.225 50 20 IBGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763572718 UVGVRZUCPWGNSU-MRXNPFEDSA-N 428.401 -0.019 50 20 IBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1cc(F)ccc1Br)S(N)(=O)=O 764270725 RTUPTSWATIQETP-LURJTMIESA-N 425.236 -0.858 50 20 IBGD Cc1nc(-c2ccccc2)[nH]c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639075 LVHUEIPTYAPMAP-UHFFFAOYSA-N 436.432 -0.407 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)n(C)c1=O 766642308 DVZDKROVPWUTLK-UHFFFAOYSA-N 430.852 -0.034 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n(C)c1=O 766642526 GOFYVARWCCWYLM-UHFFFAOYSA-N 443.420 -0.533 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772157326 BCHDYSAEFJOORU-WCQYABFASA-N 431.515 -0.171 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)cc1OC 795775001 RIAWBLRCHNHPCY-NRFANRHFSA-N 447.444 -0.071 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 812727806 WNMQOWYTSVQNJN-TZMCWYRMSA-N 444.535 -0.584 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 920297335 ASHZBRKVBRAYQC-NSHDSACASA-N 429.476 -0.048 50 20 IBGD COCCN1C(=O)c2ccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc2S1(=O)=O 1251126324 IWZWTDFGRDVZEQ-ZDUSSCGKSA-N 445.519 -0.417 50 20 IBGD O=C(COC(=O)[C@H]1CC12CCS(=O)(=O)CC2)NNC(=O)[C@H]1COc2ccccc2O1 1320938004 GWHOOLNQTVKDCR-IUODEOHRSA-N 438.458 -0.268 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CNC(C)(C)C)CC2)cc1 1333506677 DJVYWIWUXQCBPI-UHFFFAOYSA-N 425.555 -0.163 50 20 IBGD CCc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)nn1C 1779831635 ILAZSSBQVPFMMK-OAQYLSRUSA-N 441.492 -0.262 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783883838 LVWWSDPFIPPAGO-FZKQIMNGSA-N 428.873 -0.659 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1783935348 NANZTYOJDASMIZ-MRXNPFEDSA-N 447.418 -0.360 50 20 IBGD Cc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786120286 VXTGDYZOQDQYGI-ZLIFDBKOSA-N 428.449 -0.111 50 20 IBGD CCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979556 XSICTTPZDHLHPF-IEZWGBDMSA-N 426.282 -0.510 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccn4cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979896 YAIPVHCWZVDFPV-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508688 HQUQJZGSUCLNMK-VYOPWZLOSA-N 449.508 -0.237 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnccn3)[C@H]2C1 1791661472 DIXNOOZVWZIKET-SZMVWBNQSA-N 432.525 -0.238 50 20 IBGD CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795599013 LDUNIGAIEPPCOR-XOIINTDNSA-N 443.508 -0.830 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc3ccccc13)C2)c1cccc(B(O)O)c1 1795739252 XCMXIEDHWZRQNX-VPTLXERWSA-N 446.272 -0.173 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccccc12 1796843029 ODAJJACJBSPGQU-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)ncn1 1803739773 ZVRXWNRGTQAKSK-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD O=C1CC[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CN1 1815335647 IUPMXUVCJPCOQB-GXTWGEPZSA-N 442.306 -0.425 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1819801050 YIDKVCHSOVDXEE-UWVGGRQHSA-N 443.489 -0.497 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834480825 SWLHJYCFIMJMOW-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835925329 BKZGXGZTBLGJOJ-MRXNPFEDSA-N 445.263 -0.709 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931184 IAMRAWVVKNHIFG-IERDGZPVSA-N 447.297 -0.763 50 20 IBGD O=C(c1cncc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935398 QKWKJNIAEJZDEP-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD N=C(N)SCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199560 QBYLKDUKRZERTG-MFKMUULPSA-N 427.296 -0.240 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840140071 ODYMEFVWYRPDFX-KSVNGYGVSA-N 444.912 -0.202 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)C1 1840183030 OBXPLNNLJXSBHG-NRFANRHFSA-N 449.508 -0.005 50 20 IBGD Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)s1 1840183683 UAJSXTPZARCLFL-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOC[C@@H]3CCCO3)nc2)CC1 734677578 XJADCNPIJQKQRD-HNNXBMFYSA-N 442.542 -0.161 50 20 IBGD C[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746096191 CHAKJGCPFCGLJR-NSAPBPOKSA-N 439.428 -0.755 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 758048779 WDIWZDHSKHTOPU-CABZTGNLSA-N 447.311 -0.113 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2=Cc3cc(F)ccc3OC2)n(C)c1=O 761489424 WTBNBKBSLUITMJ-UHFFFAOYSA-N 428.380 -0.804 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 763663247 PGFVTRYCPUNVLQ-UHFFFAOYSA-N 441.444 -0.204 50 20 IBGD CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765727485 JNOCYIUUBHEHAH-RDBSUJKOSA-N 434.497 -0.045 50 20 IBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766668083 HOWYCZTUIJBSRY-UHFFFAOYSA-N 445.973 -0.067 50 20 IBGD CC[C@H](C)[C@H](NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F 772538911 SIVOIPHLOLWFIE-KWQFWETISA-N 433.391 -0.259 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 774660303 ZONVBXNJXBWTHB-QWHCGFSZSA-N 440.526 -0.132 50 20 IBGD COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NN=c1cc[nH]cc1 783379061 SLEZIINQDLLKSK-UHFFFAOYSA-N 448.505 -0.470 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccccc2O)cc1 810364727 GJTTUDQXLQGENE-UHFFFAOYSA-N 436.446 -0.145 50 20 IBGD CCn1c(CCC(=O)NNC(=O)NC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 919877695 KDYWISHQCQWFSW-UHFFFAOYSA-N 438.510 -0.030 50 20 IBGD Cc1nccn1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781554207 KZICUSAWKLNXNW-DENIHFKCSA-N 440.309 -0.301 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784309287 WWOHRIOKKUDSAD-ZGTHZTNPSA-N 425.449 -0.435 50 20 IBGD COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610825 WQXDITAUMCYLNV-RCBQFDQVSA-N 433.465 -0.768 50 20 IBGD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188244 FXSXDYSWDDDNLN-MUJYYYPQSA-N 427.226 -0.577 50 20 IBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1SC(=N)NC1=O 1796189276 SHEVSFIOTJPSEX-URXAQBOPSA-N 444.322 -0.579 50 20 IBGD C[C@H](C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1)n1cnnn1 1809980639 YMOJTDSMFSAHPN-OAHLLOKOSA-N 426.286 -0.541 50 20 IBGD C[C@H](CN)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810302114 FWTBHZCOZFSYND-DDUZABMNSA-N 425.493 -0.006 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(O)nc3O)sc2C1 1817089356 BPKLDOHINWGJNV-VIFPVBQESA-N 449.493 -0.057 50 20 IBGD CC1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)COC1 1834798055 PCZPFDHUSULQHH-UHFFFAOYSA-N 429.326 -0.412 50 20 IBGD O=C(c1ccc(CO)c(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840781540 XOMNHQPXQHNWFE-LPHOPBHVSA-N 430.860 -0.012 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@H](C)O1 754417549 PKALWWOXXGWNJV-STQMWFEESA-N 426.495 -0.794 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 757471772 GBDQLKGUZVTGPX-MRVPVSSYSA-N 425.872 -0.194 50 20 IBGD COCc1nc(OC)c2c(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2n1 758039574 MBOUTIKWOUYXAK-QMMMGPOBSA-N 431.496 -0.147 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 764231899 QVOFZPNDLHIOCB-GFCCVEGCSA-N 435.462 -0.316 50 20 IBGD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764425211 NWXALUQCULJBOZ-HNNXBMFYSA-N 436.490 -0.315 50 20 IBGD C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725880 UKNDWSKONLLFOS-JTQLQIEISA-N 434.840 -0.298 50 20 IBGD CN1CCN(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1=O 780171106 LACVXQOIHHJKAS-UHFFFAOYSA-N 448.483 -0.020 50 20 IBGD CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 788167093 UKTXGJFGLDZKLW-OAHLLOKOSA-N 425.511 -0.254 50 20 IBGD CCCn1nc(C(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)c2ccccc2c1=O 798273183 QVJQBDDBAZJFHK-OAHLLOKOSA-N 444.492 -0.026 50 20 IBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 811270109 LPKHXVQYWXWDSJ-UHFFFAOYSA-N 439.453 -0.080 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1338052348 OLMWXJAQOKCJCJ-NEPJUHHUSA-N 436.483 -0.015 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)C(C)C 1778795308 CIYLHKLCTUGEIN-UTKZUKDTSA-N 447.492 -0.284 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783343072 KZCJRTKGGMNRQU-GCJKJVERSA-N 432.521 -0.207 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783874570 IZDHHGOVPAOVJO-QFBILLFUSA-N 430.933 -0.766 50 20 IBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117183 BRDSFOYXMQNWPD-SJKOYZFVSA-N 428.283 -0.085 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C[C@@H]21)c1cccc(B(O)O)c1 1786985175 OWLDEQGSFUHLOG-ZKFKSPHGSA-N 428.319 -0.165 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789377513 ASDNVVCZTHFCPK-KCTSRDHCSA-N 444.448 -0.928 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794429341 ZJPBIJRGBFQZGT-LMWOUKEDSA-N 445.925 -0.058 50 20 IBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CC1 1795114574 YXCQZSFMQDGEJH-JLVBRIDZSA-N 445.358 -0.475 50 20 IBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1796393498 VZEFWUCIAHVJKY-AICCOOGYSA-N 449.932 -0.285 50 20 IBGD CC(=O)O[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)C 1797589671 IOGBUDGQBXJQSB-NBMJBFSESA-N 432.282 -0.843 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370426 DQWGUWGCFSLFAL-NQIIRXRSSA-N 433.277 -0.022 50 20 IBGD N=C(N)SCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371531 WFAZTJOBFZTDGH-QAPCUYQASA-N 441.322 -0.292 50 20 IBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnn1 1812396812 ZIFMQNDIJZKUEM-BPAFIMBUSA-N 448.292 -0.066 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cc(CO)on1)CC2)c1cccc(B(O)O)c1 1815360609 KDSZXQVPIUPIOO-GFCCVEGCSA-N 442.262 -0.157 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)O1 1817474114 MLDLXJVDPBPXFJ-GJZGRUSLSA-N 427.226 -0.496 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)N1 1827050997 JVHWISKEGJHYAI-OALUTQOASA-N 427.310 -0.122 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)cc1 1830719766 JYYWKAQDTITEAK-UWVAXJGDSA-N 442.896 -0.215 50 20 IBGD O=C([C@@H]1Cc2ccccc2CN1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727730 CREILTWOLSJJSS-BBTUJRGHSA-N 437.924 -0.243 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734019 ZBZFKUOZNMOURN-HNAYVOBHSA-N 437.884 -0.672 50 20 IBGD Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)cc1O 1834819716 ZAUKVBQTQRLOFU-INIZCTEOSA-N 431.287 -0.019 50 20 IBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837396260 AGDAWFKGDPXYIQ-PGRDOPGGSA-N 446.309 -0.991 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837604775 OUEXTCCPIBXUGR-JXFKEZNVSA-N 428.530 -0.371 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839986200 JMTNODYHJNLAEO-UGSOOPFHSA-N 435.905 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CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 763831668 QWQCSAGSQKKEHI-UHFFFAOYSA-N 428.449 -0.296 50 20 IBGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 782701849 DHKUZAARMZOAJJ-IBGZPJMESA-N 437.500 -0.035 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)c(=O)nc1O 1779299843 GBKWJCPAXXBZCE-IBGZPJMESA-N 438.557 -0.061 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779417826 NZVBVTUVRPIEMM-OHDICMOHSA-N 433.933 -0.595 50 20 IBGD O=C1CN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Br)C2)C(=O)N1 1780770794 BOJWYVZUAJIOBM-CKUKBARFSA-N 449.277 -0.257 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CC[C@@H]2CCC(=O)N2C1 1789767145 VZAODHZKZCDADD-NYXISSTPSA-N 427.929 -0.033 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794410473 XWUYIYNZYUSRSF-IVWMJMPLSA-N 438.460 -0.641 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795463509 CQSHEAKSPYUXLR-FVCICTRLSA-N 448.432 -0.189 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(F)cc1F)C2)c1ccc(B(O)O)cc1 1795732794 KYJXVJSOXGDJSQ-FVCICTRLSA-N 431.204 -0.443 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nccc2[nH]ccc12 1796205273 FRIYIDGMNGJKJY-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1798440450 RPZOOPFUPNCRHE-JGPRNRPPSA-N 428.409 -0.118 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800755911 AHUVOKBULMHMMU-ORXSELOVSA-N 439.270 -0.596 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCc2nc[nH]c2C1 1801266876 MHBMQSBFGYIRDR-NTNQKNOYSA-N 438.293 -0.902 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1806634190 PGDOYUNNABZAOH-QRFRQXIXSA-N 436.277 -0.640 50 20 IBGD C[C@H](CN)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1807015046 JSTGGNRVBUQGBH-SIIHOXLZSA-N 425.493 -0.006 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359379 IMXLTQNNNMCBGJ-CFLQYTFWSA-N 438.293 -0.408 50 20 IBGD COC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826502144 SAWMBLCROGDLHS-LBPRGKRZSA-N 432.267 -0.595 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccns3)CCO2)C1 1833775369 QYIXUEUTJMJGNZ-LJQANCHMSA-N 446.489 -0.475 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1835927169 JWBPPGCQLHRJLG-KRWDZBQOSA-N 448.178 -0.663 50 20 IBGD O=C(c1ccccc1-n1nccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839379264 WNBNKVSVLUXSFZ-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840153580 UOAOBCJQNZYRBW-XHDPSFHLSA-N 446.806 -0.198 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840923680 NHUNWLOQBXVTGW-OAQYLSRUSA-N 448.350 -0.420 50 20 IBGD COc1cc(C(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1OC(C)C 68903648 DFCXSOALABCHHQ-UHFFFAOYSA-N 444.448 -0.309 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1OC 733546299 XOXQBQFJOMVQLR-UHFFFAOYSA-N 443.416 -0.105 50 20 IBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)ccc21 735686963 IZFVTFHGRBHCKX-GJZGRUSLSA-N 445.520 -0.028 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 738507335 KJXIEDMIQQJMNE-UHFFFAOYSA-N 426.433 -0.178 50 20 IBGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)C(=O)N3CCCC3)ccc21 761149529 IXWOGBIMZWFRFG-UHFFFAOYSA-N 445.480 -0.274 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 764229895 DHTMJOLKUAJWCW-LBPRGKRZSA-N 447.473 -0.038 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Br 764231902 QXGDMGYSVBHKNT-ZETCQYMHSA-N 437.272 -0.519 50 20 IBGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 764366513 BQOZKFLPNOTUSR-UHFFFAOYSA-N 430.465 -0.482 50 20 IBGD COC(=O)c1nccc2c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cccc12 766319376 AQFNLTAARNANFU-VIFPVBQESA-N 430.464 -0.731 50 20 IBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)N1CCOCC1 786117676 XHPYMCINGBIQGF-LBPRGKRZSA-N 427.483 -0.442 50 20 IBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 821118961 IUFIORVNEUCRMS-UHFFFAOYSA-N 429.480 -0.027 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 920297357 CEEGAIYGXFLIAT-ZIAGYGMSSA-N 446.551 -0.519 50 20 IBGD CCC(=O)NNS(=O)(=O)c1cc(S(=O)(=O)NNC(=O)CC)c(OC)cc1F 921294767 ABILWOCTVPSPMM-UHFFFAOYSA-N 426.448 -0.727 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1781998079 SHHIWLLBZBTGAQ-AHEZYBDSSA-N 448.358 -0.066 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783349592 OIEQQZCBSUANBB-JLJPHGGASA-N 434.331 -0.360 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3ccco3)[C@H]2C1 1785139111 FAMHTOVJLSUFKQ-NUTKFTJISA-N 441.444 -0.246 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740892 MGDDFYNNOCOCNV-KUZCPNRJSA-N 426.282 -0.664 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)N1C[C@H]2C[C@H]2C1 1797751525 CRFPAPWSJCURQX-OUSZYSOSSA-N 442.520 -0.772 50 20 IBGD CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)no1 1801010771 VLACFDVPYWGLPK-HBCWATKFSA-N 436.513 -0.302 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801399016 TYEDAHZCZMMZDA-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370816 KUUZSRBYDIZFCL-VQIMIIECSA-N 445.306 -0.874 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1813072041 ZIOMSXHIKWCZIT-OXQOHEQNSA-N 428.497 -0.248 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830774698 BVORMBAIQHKIPP-UWJYYQICSA-N 439.557 -0.700 50 20 IBGD C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831406874 KEFNMXVEMJERNC-JOCHJYFZSA-N 446.309 -0.581 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ncccn3)CC2)CC1)c1ccc(B(O)O)cc1 1834797473 MJHKVRBAJGUJBY-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnoc3)CC2)CC1)c1cccc(B(O)O)c1 1834800157 UQZYNJVTAQZVQK-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837320180 SGKSBCWUJYSVBR-XHDPSFHLSA-N 446.806 -0.198 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840152161 ZNDAOHYIUMKTOG-HNAYVOBHSA-N 430.933 -0.022 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840153458 OWLBHLFTUKKHJG-FDVMBTMHSA-N 429.901 -0.469 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840180112 IHLSSFBCSGGBFI-RTBURBONSA-N 446.573 -0.090 50 20 IBGD CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183542 LHRHHEASESKJOO-FQEVSTJZSA-N 437.497 -0.320 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1845070893 IUZIAZNWPVUHIS-WMZOPIPTSA-N 425.294 -0.416 50 20 IBGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 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426.282 -0.685 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4cncc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786983941 GOHYLFFEJDKWEF-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)o3)C[C@@H]21)c1cccc(B(O)O)c1 1786984148 MXGSZMJXWHJVHN-FNHZYXHNSA-N 428.250 -0.641 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC12CCCN1CCC2 1799213440 DTNKHCWXXJGIIN-UPHUGPLXSA-N 435.569 -0.033 50 20 IBGD O=C1NCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Br)cc21 1799347065 DGDYTECMTUJEJK-FQPOAREZSA-N 444.261 -0.480 50 20 IBGD O=C(CCn1cncn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813317352 MVJPKIYUKWTYKH-RXVVDRJESA-N 448.292 -0.237 50 20 IBGD O=C1NCc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830731129 IBBDELBDMHOEAP-OXJNMPFZSA-N 437.880 -0.400 50 20 IBGD C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1832284616 GDGVRJCRZRWAGM-BEFAXECRSA-N 440.313 -0.153 50 20 IBGD C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)N1CCN(C)CC1 1836371001 HKAVWQBIMOJAOW-LPHOPBHVSA-N 444.020 -0.206 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837732177 SDOWSTTWPVVGFG-VQIMIIECSA-N 445.589 -0.555 50 20 IBGD O=C(CCn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203861 YUTHGVOXJRRTJM-UKRRQHHQSA-N 434.266 -0.185 50 20 IBGD C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(F)(F)F 1839892404 LVRMYBHAEKSJQZ-GOSISDBHSA-N 442.199 -0.445 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840150366 KAGZFUOXPRENLD-ZQIUZPCESA-N 440.946 -0.623 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840153577 UOAOBCJQNZYRBW-ABAIWWIYSA-N 446.806 -0.198 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448859 OIARAGWKVHJGBB-BBRMVZONSA-N 430.303 -0.092 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843415855 UWWOGWZYLISIPS-ZVHZXABRSA-N 437.265 -0.683 50 20 IBGD COc1ccc(Cl)cc1NCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766637590 UOHRQRAGSWHCLC-UHFFFAOYSA-N 449.855 -0.645 50 20 IBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 779526356 RRHYRVUICYYWTI-WBMJQRKESA-N 426.495 -0.574 50 20 IBGD O=C(NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 781957209 HOIVBCKLCBWVHW-JSGCOSHPSA-N 444.897 -0.766 50 20 IBGD O=C(NNC(=O)c1cc(Cl)ccc1O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 802586013 SLFFZMURICWYEW-SNVBAGLBSA-N 428.854 -0.028 50 20 IBGD Cn1nncc1NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 809910160 NZGLSHDVXJAYPC-UHFFFAOYSA-N 437.482 -0.379 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)c1 813363700 QWOHXPGCUBYGJG-HNNXBMFYSA-N 428.511 -0.389 50 20 IBGD O=C(CC(F)(F)F)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 918066673 IBXNYHRPABHWII-UHFFFAOYSA-N 438.432 -0.184 50 20 IBGD CC(=O)O[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C(C)C 1778793691 ZNPCYUUFOJGQNI-GHTZIAJQSA-N 432.282 -0.602 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1779029619 ZZZOMGLQLHVWJA-HXUWFJFHSA-N 425.449 -0.839 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779033987 HILPNJWIROBEHD-KDOFPFPSSA-N 425.873 -0.618 50 20 IBGD C[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780969001 RTRDGFZIWZVKFT-IERDGZPVSA-N 433.509 -0.457 50 20 IBGD O=C(Cn1cnc2ccccc21)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783749863 OIJXRSMRADGICB-HSZRJFAPSA-N 448.288 -0.140 50 20 IBGD Cn1cccc1C(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784608937 JQVSDLDFGXPWHC-NRFANRHFSA-N 425.250 -0.969 50 20 IBGD Cn1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1787047648 DKVHQTSGZHUSMP-KKXDTOCCSA-N 441.492 -0.745 50 20 IBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n(C)n1 1795734235 KSXAAYLGQNWNGM-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735902 IWMQZWYSHJASBM-ZFHGCVPZSA-N 429.109 -0.194 50 20 IBGD CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cn1 1796074700 YDBVMEWBTYSZEK-OCVGTWLNSA-N 445.925 -0.571 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1796454173 ZAXYYJRGINIDOK-MRIYFAAWSA-N 446.508 -0.423 50 20 IBGD CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751869 WMKDLVSCUKEADT-GKLBINQVSA-N 437.522 -0.953 50 20 IBGD CNC(=S)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798445335 QFXPIYWKCWRNCU-CLLJXQQHSA-N 433.538 -0.579 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813137272 WHIPTOWLFYRMDF-XPIZARPCSA-N 444.536 -0.013 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814054532 RKCGJOLUEXGRCU-RNCFNFMXSA-N 443.489 -0.354 50 20 IBGD Cn1ncnc1C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815337479 SQDMNHXYYRMRJZ-LBPRGKRZSA-N 426.267 -0.509 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831121877 PYKDXVUNVOWFIX-OAQYLSRUSA-N 432.282 -0.948 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833508715 RYECAAVUTGAQLE-ACJLOTCBSA-N 428.873 -0.191 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927534 RQBDTQCPSJWXPQ-KNQAVFIVSA-N 446.309 -0.604 50 20 IBGD O=C(Cn1ccnn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920407 VQJUEQLUJYTZKP-UHFFFAOYSA-N 441.297 -0.730 50 20 IBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)o1 1838003015 XAVRXRYLCMYSNS-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N3CCN(C)CC3)cn1)CC2 727230000 YKBQVZBOHQUGEU-AWEZNQCLSA-N 449.541 -0.441 50 20 IBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 730577768 ZIHKVNJMDPTJRX-CYBMUJFWSA-N 431.492 -0.286 50 20 IBGD O=C(COC(=O)c1ccc(S(=O)(=O)NCCO)s1)NNC(=O)c1cccs1 745144460 AYTDSZWXGRMIKP-UHFFFAOYSA-N 433.489 -0.302 50 20 IBGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 749353934 CWVMBRCLOOFCGV-CZUORRHYSA-N 439.469 -0.128 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 756154550 KBGITLIGHDUCGH-SECBINFHSA-N 437.475 -0.544 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)CCCc3ccccc3)cnc2n(C)c1=O 764223379 GOJNFOKQAFEIJI-UHFFFAOYSA-N 438.444 -0.259 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1c(F)cc(C(=O)NC3CC3)cc1F)c(=O)n2C 764328705 IECJAGQEPAFNNQ-UHFFFAOYSA-N 447.402 -0.253 50 20 IBGD C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731355 RHFRPAAHBWRGIY-LBPRGKRZSA-N 440.460 -0.463 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccc(F)cc3)CCC2)n(C)c1=O 766645446 UFEGZSHGDVEVNO-UHFFFAOYSA-N 428.424 -0.158 50 20 IBGD COCCN(CCOC)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851119 OBXHCOQPZNZCBS-UHFFFAOYSA-N 438.366 -0.874 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc(O)n1 1779030261 MYRNQIZSVQGYFV-OAQYLSRUSA-N 440.460 -0.149 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780819820 CCQCUDHYTOTYIL-OXQOHEQNSA-N 442.480 -0.896 50 20 IBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)on1 1785088884 WQRKKXCWVRGCMT-SNRMKQJTSA-N 427.266 -0.501 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(O)n3)[C@H]2C1 1786047024 MCYWYXDPXMHCGQ-NUTKFTJISA-N 440.460 -0.307 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1ccccc1=O 1788750196 AAIPOFOOVLWJCX-OWSLCNJRSA-N 447.536 -0.238 50 20 IBGD CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)CC1 1789925189 BWPWQODPTQYRFU-YXWQFLTLSA-N 435.338 -0.096 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791289337 UOPCVNSEUDSYGI-QEJZJMRPSA-N 435.481 -0.541 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C1CC1)C2)c1ccc(B(O)O)cc1 1795734261 LXMQVAUBNVYLSK-MIFYACCESA-N 442.306 -0.388 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)cn1 1795885964 LJWQMPCATFELPG-ZPHZMXASSA-N 441.492 -0.085 50 20 IBGD COCCn1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n1 1796190929 DHGZRMONYSPJLF-BCDXTJNWSA-N 426.282 -0.225 50 20 IBGD O=C(Cn1cnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800888014 HBWHIVAQCQWONH-FAQVEIGNSA-N 448.288 -0.381 50 20 IBGD O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)N1 1806634189 PGDOYUNNABZAOH-KPFFTGBYSA-N 436.277 -0.640 50 20 IBGD N=C(N)SCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362714 HOVUQPYUDZZTLQ-CRAIPNDOSA-N 441.322 -0.292 50 20 IBGD O=C(CCn1cncn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973206 ZZVVDNQMKOXSDA-UHFFFAOYSA-N 425.298 -0.107 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1810294524 LPTCPZYRQWWABQ-IAOVAPTHSA-N 446.895 -0.001 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830762009 BVORMBAIQHKIPP-DYESRHJHSA-N 439.557 -0.700 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1csnn1 1833557917 UCLDHUMLRQAXSK-UHFFFAOYSA-N 443.338 -0.283 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840183859 FBJKNIXQYXCGKO-SFHVURJKSA-N 440.526 -0.832 50 20 IBGD Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840185496 OGIPLRDXMCKREY-FQEVSTJZSA-N 436.513 -0.910 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840866990 BUXNGCKVPGANBN-JXFKEZNVSA-N 442.582 -0.041 50 20 IBGD Cn1ncc(Br)c1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843604462 CZURQBRYLROVLE-UHFFFAOYSA-N 447.098 -0.007 50 20 IBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 728312419 OFCDABJNSSWXEK-KRWDZBQOSA-N 435.458 -0.100 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755847817 XYZUPLKRAWBFDF-UHFFFAOYSA-N 428.405 -0.128 50 20 IBGD Cn1ncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1N 757676019 RBWYUHVCQHYWTJ-UHFFFAOYSA-N 436.494 -0.583 50 20 IBGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 758956472 IJVAWPIPAGYYLW-UHFFFAOYSA-N 438.462 -0.040 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 779844899 BGIALMGZXXPHRS-UHFFFAOYSA-N 444.285 -0.482 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2c(Cl)ccc3c2CCO3)n(C)c1=O 797667931 SYJXPUSKDFFOLY-UHFFFAOYSA-N 447.839 -0.125 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)nc2n(C)c1=O 914339889 WIRFFRFEJJGLMS-UHFFFAOYSA-N 445.461 -1.000 50 20 IBGD O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N[C@H]1CCS(=O)(=O)C1 919888059 ACHUZCSMKHKOOK-FPMFFAJLSA-N 444.510 -0.514 50 20 IBGD C[C@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1779502703 NUYFXAXVEFUXKI-CBGDNZLLSA-N 449.556 -0.199 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783349594 OIEQQZCBSUANBB-QRTARXTBSA-N 434.331 -0.360 50 20 IBGD CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984535 RITTWMCQPAZIKO-AMGAKCQWSA-N 430.266 -0.921 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611422 APAYIMFAFJENCD-MZDBXJLNSA-N 433.509 -0.315 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c[nH]nc3c1)C2)c1cccc(B(O)O)c1 1795738861 JMINSLZXAYTULX-XEMDLRDOSA-N 434.261 -0.240 50 20 IBGD Cc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797751013 ZZVHXXUEERDDKX-FVCICTRLSA-N 425.449 -0.699 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798633277 IXRVLHCDIZJVBC-GPVAFHQSSA-N 441.448 -0.893 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1799274767 HUAKEYFYXBDQKO-IQOUGMIPSA-N 432.241 -0.463 50 20 IBGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)n1 1805319026 NAJFZXOBWYEENF-SJLPKXTDSA-N 434.265 -0.477 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331891 VDNSNGUTRZIWSX-NEPJUHHUSA-N 434.946 -0.405 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1828927008 XOOWFDWUPRGWDM-QGZVFWFLSA-N 441.496 -0.395 50 20 IBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(F)c1 1833627621 CWPXSYZMTYNQKM-KDOFPFPSSA-N 431.848 -0.101 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835735780 KYLWVBRIJDGFQT-IIYDPXPESA-N 449.346 -0.933 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836193618 IEUYEDKIAWEIDE-OAQYLSRUSA-N 433.509 -0.547 50 20 IBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839744224 VSIMLJNSQNSINL-KFUYTQMUSA-N 449.458 -0.386 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840030531 ONLIFKGBVUITMB-SJKOYZFVSA-N 445.314 -0.166 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840185016 JDNQJYXPUAQUCN-FQEVSTJZSA-N 426.514 -0.879 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187873 BZNXXMHUCHHSMY-KRWDZBQOSA-N 431.081 -0.760 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190946 WZHRBBKXJXVZAC-MRXNPFEDSA-N 425.313 -0.381 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccc1 1840355412 TVBSWTNETBHECR-UTKZUKDTSA-N 435.525 -0.122 50 20 IBGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 733193588 YJBMWQVKYSRACF-UHFFFAOYSA-N 425.467 -0.233 50 20 IBGD Cc1ccc(SCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 746096274 AXYJUEBRAUOHKA-UHFFFAOYSA-N 425.492 -0.360 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@@H]3SC(=N)NC3=O)cc2)CC1 748622204 AMTSXCKAVSFIKN-ZDUSSCGKSA-N 426.524 -0.378 50 20 IBGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)C(=O)Nc1ccccn1 758801382 XJFOAESFJGLKOV-HNNXBMFYSA-N 426.481 -0.044 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 762963246 BGSCSHZUGXAUOY-ZBEGNZNMSA-N 448.457 -0.560 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 763014255 RLXFIGZDWVETIO-CYBMUJFWSA-N 434.474 -0.013 50 20 IBGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C(C)C)c2)CC1 763816471 HOBSZBVHVHPTGO-UHFFFAOYSA-N 425.511 -0.245 50 20 IBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2)c1=O 764278573 ZYXZBWDJLRUJLQ-UHFFFAOYSA-N 426.389 -0.559 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1NC(=O)CN1CCCCC1 764424725 KQQCSVKMBAJGFY-KRWDZBQOSA-N 447.492 -0.079 50 20 IBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 792028938 RGSAOXLILILEJD-YMTOWFKASA-N 425.385 -0.800 50 20 IBGD CC(C)NC(=O)C(=O)NNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 794822042 ZLULOOHFFIDCJX-UHFFFAOYSA-N 434.515 -0.527 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 810309352 URTHDDGWFQFMOY-UHFFFAOYSA-N 432.430 -0.118 50 20 IBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 813033397 RFMSEHPLECEDMB-UHFFFAOYSA-N 437.482 -0.117 50 20 IBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)NC(=O)N1 816831056 DRIDHJTYNBGEQU-HNNXBMFYSA-N 434.416 -0.253 50 20 IBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 919243369 RQXSJUVUFWIIOT-ZDUSSCGKSA-N 428.423 -0.287 50 20 IBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1CCS(=O)(=O)C1 1337075778 DPBKIDXJRAPORI-CYBMUJFWSA-N 434.540 -0.848 50 20 IBGD COCc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780078370 JUHOYJOUWWFCGN-NRFANRHFSA-N 442.476 -0.083 50 20 IBGD CC(C)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784803756 QCBJJAHGBDOPRV-SIKLNZKXSA-N 429.326 -0.317 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n(C)n1 1788610801 VLAMBDZXWQSJNG-OWQGQXMQSA-N 441.492 -0.366 50 20 IBGD Cn1ncc(Br)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978309 POUIEXAYTSEZIY-QCMRWSPLSA-N 435.706 -0.015 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCc2ccoc2C1 1793123142 MWNOFUZUQPWWEO-DCXXXQMHSA-N 438.289 -0.032 50 20 IBGD CN(C)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732549 UBTVMALQNXALLW-XEMDLRDOSA-N 438.293 -0.656 50 20 IBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc(O)n1 1796375926 CSJBYVAPMSIQQO-HGKCTWBKSA-N 425.250 -0.708 50 20 IBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1800640112 KCNFQQJWXRPPNC-MIJXAVMKSA-N 431.287 -0.699 50 20 IBGD O=C(CN1CCCC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814594181 PAFLEHAWUZRQJA-AWEZNQCLSA-N 442.306 -0.329 50 20 IBGD CC(=O)NCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821978533 HGPQYQWKOZUDMT-QGZVFWFLSA-N 427.270 -0.078 50 20 IBGD C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)n1cnnn1 1822853406 KYMYXYKFLSYRIC-WBMJQRKESA-N 438.257 -0.357 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822988163 MCZQDMRKLDDORJ-JTQLQIEISA-N 434.478 -0.624 50 20 IBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825240302 HYEVFNPIABBWQX-NSHDSACASA-N 445.505 -0.106 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnco1 1833594946 NQMXZGSMNFBIAC-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835411356 AIAAGWADRZXLGS-LJQANCHMSA-N 427.574 -0.083 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837459311 CFDIITKTPNYCCD-HNAYVOBHSA-N 439.900 -0.228 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(OC2CCN(C(=O)CCC(N)=O)CC2)CC1 1838394520 FZYNMMYBDCLXNW-UHFFFAOYSA-N 446.508 -0.437 50 20 IBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 727942969 PNFIEAWNRSVFDU-UHFFFAOYSA-N 432.524 -0.150 50 20 IBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 729457219 DRXRTYZQPZETKF-UHFFFAOYSA-N 426.455 -0.837 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)c(C)c2)n1 730890333 PICXUHNIFHZBOV-UHFFFAOYSA-N 426.476 -0.046 50 20 IBGD O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)NNC(=O)[C@H]1COc2ccccc2O1 732347540 VXVSWLZTNLEYST-LCVXBWFXSA-N 446.416 -0.715 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 738855211 KYWFBJHEZZYVOK-UHFFFAOYSA-N 439.428 -0.133 50 20 IBGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)cc1 758055151 PQVTUBRVJTUIBR-LBPRGKRZSA-N 428.492 -0.268 50 20 IBGD O=C(CNC(=O)c1cccnc1)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 763197370 ZJQUSJIWQRJMAA-UHFFFAOYSA-N 435.444 -0.194 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)c3ccccc3)cn2)C[C@@H](C)O1 763430350 FPJFZJYCBGLXJA-OKILXGFUSA-N 428.449 -0.081 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764434914 SMOQLSBOSJCYLS-OAHLLOKOSA-N 442.494 -0.475 50 20 IBGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CN(C)CCO1 770436937 DIIVPRJEXXHVDT-HOCLYGCPSA-N 441.558 -0.637 50 20 IBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2S1(=O)=O 816873864 PZVTXBXSBSIDQK-GFCCVEGCSA-N 432.462 -0.145 50 20 IBGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 915635057 XMPMZBBONBOKLC-UHFFFAOYSA-N 427.439 -0.815 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777822389 OZSMPURMABWECX-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CC[C@@H](NC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373194 MVRSJKZANXUABY-CBGDNZLLSA-N 432.525 -0.189 50 20 IBGD CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978606 IKMNKIXDONFXST-QKGCVVFFSA-N 449.932 -0.549 50 20 IBGD Cc1nc(N)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795666110 NRRGKQMJNDKOBD-AGGWBTHJSA-N 430.295 -0.769 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C1=NN(c2ccccc2)C(=O)C1 1796479112 GGXWOTCZWZEUCM-VLWCASSMSA-N 434.880 -0.031 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009209 RWUAKEFWVFCRAU-JFILPPLUSA-N 433.347 -0.020 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1813034075 ACKICHQWUAZYDH-OFQRWUPVSA-N 440.884 -0.116 50 20 IBGD C[C@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)[nH]n1 1820878376 WVLFYIFZPAGMRR-NHYWBVRUSA-N 428.453 -0.151 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1829769493 VXCBDQXRTSFIHM-OEQZANGBSA-N 448.289 -0.008 50 20 IBGD CC(C)(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830625974 FNEPDMXBEFQTLK-HRAATJIYSA-N 449.508 -0.838 50 20 IBGD Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830724659 AKLDFAWFGOYBGT-CXAGYDPISA-N 432.930 -0.165 50 20 IBGD Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834316135 HUDWMYUHUCSMAV-FQEVSTJZSA-N 444.448 -0.635 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837711423 HNHBHTWBRGOCFE-IBGZPJMESA-N 429.590 -0.374 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)N1 1837781709 RLZSSOXQQJZUNH-LJQANCHMSA-N 443.309 -0.743 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838835480 YKFMTKPWJXIQJB-UGSOOPFHSA-N 430.889 -0.248 50 20 IBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nc2nccn12 1839547138 XKIYMSRVXOCBDM-DNVCBOLYSA-N 437.884 -0.293 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840150011 DJIVYXSPBJBCIX-KBXCAEBGSA-N 430.889 -0.248 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 106924479 UDGRZDWRKWEQDW-UHFFFAOYSA-N 428.423 -0.429 50 20 IBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1ccc2c(c1)OCCO2 731842132 HNJXXHMKDPRNLW-KRWDZBQOSA-N 432.477 -0.068 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 756300731 MZBGOLNPQNRSRB-SECBINFHSA-N 429.480 -0.028 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758832023 GKSSJHLSNROXKY-UHFFFAOYSA-N 435.462 -0.065 50 20 IBGD Cc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1C 763379484 WNSXLSNGKOUSGQ-UHFFFAOYSA-N 435.462 -0.518 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC[C@@H]2CCCO2)c1 764230402 HWIXHZMCTLVJFX-OLZOCXBDSA-N 442.494 -0.424 50 20 IBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)CNC(=O)c1cccs1 765384418 XJLAHCDYRXBLAO-NSHDSACASA-N 435.487 -0.136 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(O)nc3)CC2)cc1 766636990 WBGBJCKFDNCMFK-UHFFFAOYSA-N 433.490 -0.137 50 20 IBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 771256719 PDXQJMORKAOGLV-FQEVSTJZSA-N 443.416 -0.367 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 810345994 YHAVZVKMQCYOQT-SSDOTTSWSA-N 447.322 -0.643 50 20 IBGD Cc1c(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nnn1-c1ccn(C)n1 814365978 ZKHWROXQYAYULJ-UHFFFAOYSA-N 438.857 -0.315 50 20 IBGD Cc1nn2cc(CC(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)nc2s1 1792975718 XGJQSAVSJQODOE-WJNVRWDZSA-N 427.914 -0.169 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3[nH]ccc13)C2)c1ccc(B(O)O)cc1 1795734827 VVWPQPFUUPGQRY-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2)c1cccc(B(O)O)c1 1795739276 YPEQKEJUTDMLHQ-CWPLJXCYSA-N 434.261 -0.240 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCCN1 1799215802 UXIUSDGZVKNHTG-DWCLWEAESA-N 430.509 -0.148 50 20 IBGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC(=O)NN(C)C)C4)(C1)C2 1800706701 KBWWBTIMUYTCHM-LCXLZDMFSA-N 436.509 -0.708 50 20 IBGD CS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817054535 OJWYMFRQJSFNLM-OAHLLOKOSA-N 434.283 -0.560 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830580247 WOZOBAZHLOMMBO-DMTZEAGHSA-N 447.492 -0.652 50 20 IBGD O=C(CN1C(=O)CNC1=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836714692 ZPWIBYLQCBGOQE-AWEZNQCLSA-N 430.889 -0.864 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840862440 GCCHGYZSVDCLIN-LAUBAEHRSA-N 448.350 -0.420 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730673014 QKVKIMVDCKBCQO-UHFFFAOYSA-N 427.508 -0.354 50 20 IBGD Cc1ccc(-c2cc(C(=O)NNC(=O)NCCS(=O)(=O)N3CCOCC3)n[nH]2)cc1 748107994 QQXAERXTVCVURI-UHFFFAOYSA-N 436.494 -0.009 50 20 IBGD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 755088898 YEIZGYFCROCZRH-WMHQRMGPSA-N 436.432 -0.587 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OCc2cscn2)c1 764230462 IREIHEIXOHPTQB-SNVBAGLBSA-N 441.491 -0.254 50 20 IBGD CCN(CCO)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 764818880 XIXFGFIYKIRRPO-UHFFFAOYSA-N 441.492 -0.289 50 20 IBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(=O)oc2ccccc12 766644869 QNZYDJYSIKRYIP-UHFFFAOYSA-N 438.400 -0.690 50 20 IBGD COC(=O)Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 767851720 SWYSXAWFHUKNBQ-UHFFFAOYSA-N 445.317 -0.955 50 20 IBGD C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)C(=O)NC2CC2)C1=O 770223008 QSYXZYBZRKYOFB-QGZVFWFLSA-N 425.804 -0.328 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 770955860 RIUYEUHJEGSFGH-LBPRGKRZSA-N 449.489 -0.280 50 20 IBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 776626383 BKSBFWDQSZAQJX-JMPLCFMRSA-N 439.515 -0.040 50 20 IBGD Cc1ccc(NNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)nn1 783950712 DKDUYODNLSHBHZ-INIZCTEOSA-N 426.433 -0.119 50 20 IBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)o1 790314743 HWTUIJOZACSICD-LRDDRELGSA-N 436.446 -0.623 50 20 IBGD Cc1nnc(COCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 802763718 ZWKBRJMNGSRFGC-UHFFFAOYSA-N 432.506 -0.031 50 20 IBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 919886618 VLDWTVALHYWOSX-CQSZACIVSA-N 444.535 -0.008 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1779032410 JFZORNOCCXFGEM-FQEVSTJZSA-N 428.424 -0.024 50 20 IBGD CN1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1779032561 MJLAJWZKYAYXOP-VFNWGFHPSA-N 430.509 -0.530 50 20 IBGD CN1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1781000800 ZVWLVOYVQVAQMS-BTYIYWSLSA-N 430.509 -0.530 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783528942 DOFXINITLNEAES-ZOWXZIJZSA-N 440.360 -0.073 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783872025 ZNRBQESACNLLOA-KSMMKXTCSA-N 449.932 -0.044 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790637062 XGHCPWLCCIIJPH-CYDGBPFRSA-N 448.314 -0.317 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnccn1 1793135902 XXCKQAAEPUHRGQ-DHMDNZFNSA-N 439.476 -0.257 50 20 IBGD CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440901 DJLYAXOLKXHGLB-KCVWEKCISA-N 445.476 -0.171 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 1800286608 TXSXSSXNLGCRMK-GBQKICQVSA-N 427.465 -0.324 50 20 IBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800762124 OIBLRXTZFZFZSA-YYHMBLRTSA-N 429.271 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807604847 XHIPGLYIZCRKJQ-OXQOHEQNSA-N 428.497 -0.248 50 20 IBGD O=C(CCn1cncn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813318487 VWQFKHVHZFPMJA-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1)n1cnnn1 1826092258 WRIPKWHNMVFXQA-QWRGUYRKSA-N 435.514 -0.324 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cnnn1 1826972989 RLZKRKLDYIFUAZ-ZWNOBZJWSA-N 441.282 -0.704 50 20 IBGD CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725414 OHPLQSGOVRZVEP-KSSFIOAISA-N 428.873 -0.455 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833409431 AYJWORWBTSATIW-BDJLRTHQSA-N 431.287 -0.021 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836908093 RCQXSLWHDCQMGB-OAHLLOKOSA-N 445.325 -0.510 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840923245 DTSQPLIFSQGOQT-NRFANRHFSA-N 448.350 -0.420 50 20 IBGD CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)C(=O)NC1CC1 10215860 GJPLLGUKIDCXJG-CQSZACIVSA-N 428.536 -0.179 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 14260592 NAJALYJUNFCUKU-UHFFFAOYSA-N 432.524 -0.631 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1=O 17193477 GHGYMQOGIQZFFN-UHFFFAOYSA-N 448.439 -0.109 50 20 IBGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 764132403 UXEKYXZPTIMSNJ-UHFFFAOYSA-N 444.492 -0.057 50 20 IBGD CC1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 764234812 ZXMKFCFOPBPLSK-CYBMUJFWSA-N 425.511 -0.054 50 20 IBGD COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1C 765728308 NTEZAWBIDVRILP-UHFFFAOYSA-N 430.421 -0.779 50 20 IBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766641602 IATKLCSRCYKUTE-UHFFFAOYSA-N 429.437 -0.213 50 20 IBGD COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 777840896 QMAMZSNKWKTEAD-CYBMUJFWSA-N 437.430 -0.048 50 20 IBGD NS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 799912938 ZZSLADQMIGNGHN-UHFFFAOYSA-N 425.492 -0.203 50 20 IBGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814316521 DECPQLYOJXOJHC-LBPRGKRZSA-N 437.482 -0.379 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 919884394 FMSSQLGIAUETCJ-ZIAGYGMSSA-N 444.535 -0.395 50 20 IBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cncn1-c1ccccc1 1318270247 GYIMTKRWVBXEOA-INIZCTEOSA-N 426.477 -0.186 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1779373136 FKKLXMYYAQFNDO-AUUYWEPGSA-N 428.453 -0.756 50 20 IBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786886287 SCKXNMFXGRUNOX-HTOAHKCRSA-N 433.347 -0.410 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1791255655 XSVNANOIHDUNBB-KSWRQPAISA-N 448.900 -0.285 50 20 IBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1792782592 XXWNOZJIEBMTDM-MIFYACCESA-N 435.974 -0.429 50 20 IBGD CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795088369 OXBSMGRKVKVBTM-SHXSXUFKSA-N 431.449 -0.992 50 20 IBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797751871 WQPICZKHAIPZLU-IVWMJMPLSA-N 440.460 -0.394 50 20 IBGD O=C(CCCc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801477753 CNHTYYTYLWNRGB-HATOLVCRSA-N 437.305 -0.013 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362059 DJYNFYQHBQSGNU-HNAYVOBHSA-N 435.249 -0.177 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1810310595 YAROWVODKUEGFD-CXAGYDPISA-N 440.464 -0.932 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1835926717 ZXTYSLHDLOEUCI-NNMXDRDESA-N 428.294 -0.518 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1838528445 YMVIXOFBCQAPSF-LJQANCHMSA-N 436.421 -0.451 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838822096 BDPZYJFBQAYILX-NRFANRHFSA-N 435.525 -0.223 50 20 IBGD CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)COC1 1840185487 QVHUJYLTPVPSAM-FQEVSTJZSA-N 426.514 -0.758 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321926 RUPHQVMUNNMDSA-MLGOLLRUSA-N 436.303 -0.028 50 20 IBGD Cc1cc(NC(=O)CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1843400080 XFFOWLJDMUUTEV-UHFFFAOYSA-N 426.238 -0.491 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845216319 JYUNDYJVUMCOGH-GFCCVEGCSA-N 426.308 -0.389 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846340254 IJQLQKVZSJZCRV-QZTJIDSGSA-N 426.278 -0.061 50 20 IBGD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NNC(=O)Cc2nc(C)cs2)C1 726184025 IVPZMJCYJXFDID-AWEZNQCLSA-N 439.538 -0.125 50 20 IBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 733546764 JDAPBLLPEIUQLX-OAHLLOKOSA-N 441.400 -0.596 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 763661290 MGHCKUIKRGYOKV-UHFFFAOYSA-N 441.444 -0.204 50 20 IBGD CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763882549 VBNDBEAFNHYWPY-UHFFFAOYSA-N 438.466 -0.532 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCCCC1 764204679 RPWXTKKOMPWUGU-UHFFFAOYSA-N 425.511 -0.183 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 764230452 INCWDNUQUSUOTM-VIFPVBQESA-N 446.457 -0.195 50 20 IBGD COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725433 RXDNEPYFRSJBDH-UHFFFAOYSA-N 442.432 -0.965 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 790764851 YPFKLDHLWIUUNU-UHFFFAOYSA-N 440.503 -0.226 50 20 IBGD Cn1cnn(CCC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1=O 815827961 WDFUOCRTLLULSP-UHFFFAOYSA-N 435.916 -0.410 50 20 IBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 916526410 JXZXTCGPBTYVQR-VLIAUNLRSA-N 446.416 -0.763 50 20 IBGD O=C1Cc2cc(C(=O)N3CC[C@]4(CN(C(=O)c5cccc(B(O)O)c5)CCO4)C3)ccc2N1 1778389761 KYLZCHCOMBSBFI-HSZRJFAPSA-N 449.272 -0.382 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780790220 OGBFNCSZLMHCKB-NJNPRVFISA-N 443.309 -0.885 50 20 IBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1785031699 OWHZWSKPRVGGAD-AVWBDOJWSA-N 435.250 -0.792 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979649 HPNWWVIATDOURU-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n(C)n1 1786984458 ITWPXHJGDDXYHY-ZVZYQTTQSA-N 442.281 -0.984 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)n[nH]1 1788609867 AACJKYSVRRYNOJ-NUTKFTJISA-N 427.465 -0.376 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1788775905 WDVIYOWXTSILRP-HTVCTNPSSA-N 438.294 -0.192 50 20 IBGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c(O)n1 1789307525 CALHTJJZYUOKAW-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1791251243 BPMJGGLALWRRHL-MNXVOIDGSA-N 438.872 -0.735 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C 1794473102 WHMQRHIFGBIREM-YVWYUNDQSA-N 432.525 -0.276 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cn2ccsc2n1 1797481906 GVPLWMTZDYECTR-XOIINTDNSA-N 440.290 -0.407 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800757779 VARDSMYUWUKYPN-NWBUJAPZSA-N 440.360 -0.313 50 20 IBGD C[C@@H](NNc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801008913 HNBPJXQHPFICAX-PZTGFMGMSA-N 446.552 -0.046 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@H]1c1cccnc1 1813068636 PHEXGOSPLSGUIO-UZLBHIALSA-N 446.508 -0.087 50 20 IBGD CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817323492 NUYITKOJAMGGBP-CQSZACIVSA-N 444.322 -0.179 50 20 IBGD C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1)n1cnnn1 1832284621 GDGVRJCRZRWAGM-HNAYVOBHSA-N 440.313 -0.153 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833315986 MKJCLNUGDAIGDR-AUUYWEPGSA-N 440.884 -0.496 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798908 HJFLQMHPKFGZRY-QGZVFWFLSA-N 444.385 -0.108 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258003 ZCFKGOHMFZMRQJ-GJZGRUSLSA-N 431.338 -0.276 50 20 IBGD O=C(c1ccc(-n2cnnc2)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835490348 FZLWFGZRAQLMJB-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)o1 1837457012 VUTNXYVUGSDDGI-NRFANRHFSA-N 443.460 -0.030 50 20 IBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840088160 OMIANGFKDUNGFL-TYILLQQXSA-N 449.932 -0.044 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479629 CVMUFMOLXZIVBR-WWGRRREGSA-N 445.318 -0.136 50 20 IBGD Cc1ccn2c(=O)c(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cnc2c1 1843786898 MBHFUXADXNWXNY-UHFFFAOYSA-N 446.272 -0.186 50 20 IBGD Cn1c(=O)n(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c2ccccc21 1843859458 XJOBABALKKIQSM-UHFFFAOYSA-N 448.288 -0.463 50 20 IBGD C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725872589 PCCWHESTVBQGTK-OAHLLOKOSA-N 434.497 -0.231 50 20 IBGD Cc1csc(CC(=O)NNC(=O)CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 731845307 XKEDIXFWCLERPM-KBPBESRZSA-N 430.552 -0.190 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CN(C)CCN2C)cc1 732475038 QRXXQMCNOOKNJV-OAHLLOKOSA-N 426.543 -0.808 50 20 IBGD CC(C)C[C@H](CCC(=O)NNC(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cnn(C)c1 759218906 VFYGRRREZLUPGW-ZDUSSCGKSA-N 432.485 -0.182 50 20 IBGD COC(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc1 759722105 YGANKZFISFMTKE-UHFFFAOYSA-N 433.446 -0.254 50 20 IBGD COCCNS(=O)(=O)c1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1 762855198 GCPBOKNSEMZDKU-UHFFFAOYSA-N 436.494 -0.005 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 764230426 HZKBJZZYLWOYKF-LBPRGKRZSA-N 448.505 -0.152 50 20 IBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc2O1 784005127 PYHBKECTNNCFLQ-ZDUSSCGKSA-N 446.441 -0.408 50 20 IBGD C[C@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)n1cccn1 920541612 DLCMQWATMDOVNB-GFCCVEGCSA-N 432.393 -0.185 50 20 IBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779255015 GTZLIERJPGNRJU-FOIQADDNSA-N 425.530 -0.506 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1783877710 NPOFWEAHYRIKTJ-KSMMKXTCSA-N 439.900 -0.321 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547339 XZTVPOHSUWAUCX-BDJLRTHQSA-N 435.955 -0.070 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncsc3[nH]1)C2)c1cccc(B(O)O)c1 1795740228 HBRISRFWBDPCHJ-FVCICTRLSA-N 440.290 -0.179 50 20 IBGD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1798936778 JBVKBPIAXVJHKT-RMFSNUHRSA-N 437.305 -0.051 50 20 IBGD O=C(Cn1ccnc1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837532789 PYMUUIKSPMGDDG-UHFFFAOYSA-N 440.309 -0.125 50 20 IBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1838124826 JFTDDYHWOCCBRH-NRFANRHFSA-N 443.265 -0.699 50 20 IBGD O=C(c1nn[nH]c1C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838762082 BYBNGTNRHKKNHW-LKFCYVNXSA-N 441.794 -0.507 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105926 VKPAAFHVXHMVGD-SQGPQFPESA-N 446.976 -0.668 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839718497 XYNZCAXDJWLEHK-YOEHRIQHSA-N 446.819 -0.253 50 20 IBGD CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840033118 UYLCWQPLIIYHNN-SUMWQHHRSA-N 434.331 -0.002 50 20 IBGD COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265385 XPQFOWWNXXSONY-UHFFFAOYSA-N 449.508 -0.428 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 755848206 LLQSEDKCDLAOHR-UHFFFAOYSA-N 426.393 -0.548 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1C 768277932 XAXSUPLCBLCVIT-UHFFFAOYSA-N 435.441 -0.003 50 20 IBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 768644471 BUCQJAGBARNDRU-JTQLQIEISA-N 431.496 -0.358 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)[C@@H](C)O)cc1 779547515 WAVODSTZRTUGSP-DOMZBBRYSA-N 444.510 -0.305 50 20 IBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(F)cc1I 782965032 DIWOIOGZRYPLNR-UHFFFAOYSA-N 434.165 -0.205 50 20 IBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 792084952 QSYGPPISUPVEQM-YGRLFVJLSA-N 440.400 -0.864 50 20 IBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 914602412 JHYABFVELWFONS-OAHLLOKOSA-N 448.413 -0.771 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777986339 OHYYRMBWNHVJMZ-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD CN1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)C1 1781000802 ZVWLVOYVQVAQMS-VFNWGFHPSA-N 430.509 -0.530 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783940180 VSFLBBPQXKYKHU-UZLBHIALSA-N 425.530 -0.506 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21)[C@@H](O)CCl 1784085851 QGGHFBQMHDIVPT-XKNYDFJKSA-N 434.770 -0.079 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090403 DUBSEVHCBHJORE-NKUPWMOVSA-N 439.900 -0.300 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1785443917 MPKRODKJWPZCMZ-XSLAGTTESA-N 434.541 -0.128 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789096456 NHUUFJZCWXNDQX-WBAXXEDZSA-N 440.460 -0.774 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1800975106 JEDBAFVWQLOBDV-HLPPOEQASA-N 437.946 -0.745 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826627836 PHJFDYFZVIWJJU-GOSISDBHSA-N 436.339 -0.356 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832668200 QSQZVRNAEUFJNE-HXUWFJFHSA-N 436.465 -0.708 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834003509 ONUHUKNPJHAHSX-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835537404 HAHAWCRRULMIFM-MRXNPFEDSA-N 441.849 -0.567 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1835935347 PCLSFBPSKBIGBJ-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1836056479 NENVNSNGYMSBGL-NRFANRHFSA-N 448.524 -0.761 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840150431 LNHDDWICWLGCBF-ACJLOTCBSA-N 429.857 -0.591 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1840150863 SFLXBONYTJKXTH-LIRRHRJNSA-N 442.900 -0.289 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1840186062 YIEMBVUXGPYZGT-DNVCBOLYSA-N 428.555 -0.289 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1843416281 RLPREAUHOVDHEA-FSJBWODESA-N 427.469 -0.343 50 20 IBGD O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728341111 FEOMGSCCRYZMLA-KRWDZBQOSA-N 443.412 -0.419 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 729277157 SVSGLKRWIHCOCU-VHSXEESVSA-N 447.311 -0.113 50 20 IBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c2ccccc2O1 784001853 FHNUGDSYTKGONN-AWEZNQCLSA-N 430.373 -0.876 50 20 IBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 816828745 NVDAQAMFIIYBKJ-UHFFFAOYSA-N 440.507 -0.135 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)c(=O)n2C 825370336 PRUYUWIIAYGBDE-UHFFFAOYSA-N 448.823 -0.909 50 20 IBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 1319718961 UPTBTALSTKEMKY-UHFFFAOYSA-N 427.464 -0.215 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779032511 RAZYQIOSWJGRPC-UQQIOGDDSA-N 443.508 -0.400 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779250744 DDFJEABTEACWOP-BTYIYWSLSA-N 431.298 -0.885 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780031805 PFNOTIXKBQDHGF-OAQYLSRUSA-N 439.233 -0.753 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789924535 KMEIHLPRXSBUSE-YVNDNENWSA-N 444.261 -0.141 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1791291127 MWZPGABSFTXCLK-ULQDDVLXSA-N 443.508 -0.304 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1792868705 LQZBKBVXOXARJD-KOFHJDLBSA-N 442.310 -0.078 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794086313 YFEJHIIAVMTSEO-BQELMUNXSA-N 443.464 -0.690 50 20 IBGD CC(=O)O[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C(C)C 1797598804 WHRAYJQHULJKMI-QXGSTGNESA-N 426.514 -0.463 50 20 IBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(O)n1 1798653662 RSIHYPMJPRVPOJ-JLVBRIDZSA-N 425.250 -0.708 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370842 LKUKMSCUIXSKCN-KXBFYZLASA-N 435.249 -0.177 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1810304893 HBBYEXRPVGPHQY-KUHUBIRLSA-N 436.428 -0.512 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)CC2)c1ccc(B(O)O)cc1 1815343766 ODYGSLVOZBKTKZ-HNNXBMFYSA-N 438.274 -0.004 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCc3nc(N)n[nH]3)sc2C1 1819561100 CHDQWQHNOOWFKO-SNVBAGLBSA-N 449.541 -0.239 50 20 IBGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827399437 KTJJQXILWUKFBM-KBPBESRZSA-N 437.888 -0.354 50 20 IBGD O=C(c1nc2ccc(F)cn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736856 WWHNVYUQGNEALO-FZKQIMNGSA-N 441.847 -0.462 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835749607 LKQXMKFPNXMGGU-OGHNNQOOSA-N 449.346 -0.791 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)O1 1836604885 YKSOWGWPUKWZGG-FQELHTAISA-N 432.282 -0.996 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277463 KTBRMIXJUPJFQI-YVEFUNNKSA-N 430.893 -0.970 50 20 IBGD Cc1ccoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457758 QAOIGTMSRACVOK-NRFANRHFSA-N 443.460 -0.030 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837911253 IIAPQNFGUQZCNK-HXUWFJFHSA-N 437.472 -0.336 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840149838 BEXWOKDAOIFMEG-XIKOKIGWSA-N 442.856 -0.501 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840154804 HGTXZSNSYALQAV-DYVFJYSZSA-N 436.962 -0.819 50 20 IBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840261019 JLEYRZBOLILEBU-LJQANCHMSA-N 427.885 -0.367 50 20 IBGD CSCC[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 15639474 NWAHVVSHAQGCHH-RISCZKNCSA-N 439.515 -0.014 50 20 IBGD CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728373142 YRCCYDXDUPGBSS-DZGCQCFKSA-N 443.547 -0.115 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745443052 ZTKXTBDROCUZOD-WEBKGQRMSA-N 429.429 -0.150 50 20 IBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c2)CC1 761063116 BIKGMYCTIGBBIL-UHFFFAOYSA-N 425.511 -0.245 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnc(C)n3)CC2)cc1 766636536 PQWUXNTYZKYPKS-UHFFFAOYSA-N 432.506 -0.139 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(-c2cccs2)[nH]n1 768262640 LAMYTWCOIGCWDP-GHMZBOCLSA-N 437.503 -0.065 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(F)cc1Br 806978138 OGZAKCASQLPFQA-ZETCQYMHSA-N 439.263 -0.080 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806979371 SAXOROPWFZLBGM-LLVKDONJSA-N 430.408 -0.061 50 20 IBGD COC(=O)c1cn(CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 807251415 UCBWLLAWJUDSDI-UHFFFAOYSA-N 444.496 -0.393 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914651480 MBQMBDWPPLCMOT-HUUCEWRRSA-N 437.474 -0.665 50 20 IBGD C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 915483624 KFGGIFPOZOBUJU-ZDUSSCGKSA-N 435.458 -0.036 50 20 IBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915618437 NZVIAVZJVFCJEX-UHFFFAOYSA-N 447.535 -0.317 50 20 IBGD COC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 919885489 LPVOCNIWLLJLKJ-LBPRGKRZSA-N 434.515 -0.080 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cc[n+]([O-])cc1 1779942906 IXLRJJUHXODCRY-DENIHFKCSA-N 439.277 -0.559 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786873814 ADPNKCPBUKKRNM-MZRZTIOWSA-N 432.525 -0.566 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979725 NVUIMACKLABSDL-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD Cc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610382 YLRIRDWLXRQMPI-JQFCIGGWSA-N 439.476 -0.309 50 20 IBGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cs1 1795737237 IOELXJVUAKSSPG-CCWDJLKJSA-N 429.307 -0.423 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800970587 GUVBGRYIWVOSOT-PEBLQZBPSA-N 425.935 -0.842 50 20 IBGD C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801362701 GJVTZWYWTWVLMJ-DFYYWFRZSA-N 439.277 -0.568 50 20 IBGD Cn1nc(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)cc1O 1807360547 CEFMPAGQFQBHAM-UZLBHIALSA-N 449.276 -0.166 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363140 BRTHLKXIHGLHAI-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1830365534 XUDZUZFBUDPAIQ-IBGZPJMESA-N 439.900 -0.090 50 20 IBGD O=C(c1ccnc2c1OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732952 ZACDSSKNBNFPAA-FZKQIMNGSA-N 427.841 -0.520 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830866967 NXJDMIQBLZEAOT-WPWRZWQBSA-N 449.508 -0.406 50 20 IBGD C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831425944 XUHATOGJOJFALT-HRAATJIYSA-N 432.282 -0.973 50 20 IBGD C[C@@H](CN)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834661757 UJYURSOSTCNEJP-AWEZNQCLSA-N 431.541 -0.535 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccnn3)CC2)CC1)c1ccc(B(O)O)cc1 1834798444 WRRYXBLFXGOUTD-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)on1 1835935200 GXRHCCIIRWSFDB-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1835935386 QCSQRUXMJZKAMO-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD O=C(Cc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836154148 CLNAPHUUNLQXKE-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836749235 VERRLVHPPVXFKM-GTCCEBARSA-N 430.310 -0.127 50 20 IBGD C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456200 KRYSJTPMCHFTHW-HXUWFJFHSA-N 449.533 -0.326 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840150999 UMYWGGLKUIQDBV-ACJLOTCBSA-N 428.873 -0.191 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCC3)CCO2)C1 1840847892 IIGNQLAERAKMCU-OAQYLSRUSA-N 431.493 -0.055 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)N1CCOCC1 27338226 IDXZKDKYPGSWHN-UHFFFAOYSA-N 426.495 -0.287 50 20 IBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CN2CCS(=O)(=O)CC2)CC1 734826050 VBRKQIFCBBVRSV-UHFFFAOYSA-N 433.531 -0.553 50 20 IBGD COc1cc2ncn(CCCC(=O)NNC(=O)C(=O)N3CCCC3)c(=O)c2cc1OC 748247792 UYHULOKGLVUFEE-UHFFFAOYSA-N 431.449 -0.036 50 20 IBGD CNS(=O)(=O)CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 751568200 VBCSYFCPQXWFPJ-UHFFFAOYSA-N 429.458 -0.245 50 20 IBGD COC(=O)CSCc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764225602 BAPXPALUXRXCIR-JTQLQIEISA-N 446.507 -0.884 50 20 IBGD O=C(CCCCc1cnn[nH]1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 768678840 PUKOUMYESLNMEC-UHFFFAOYSA-N 436.494 0.000 50 20 IBGD O=C(NNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccc(-n2cnnn2)cc1 789829426 NJSPPLTZAMDTDU-HNNXBMFYSA-N 434.482 -0.483 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779964674 FXXWVLTXFXTPPK-FQEVSTJZSA-N 429.481 -0.454 50 20 IBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781395972 GDCONVHYCQHLTH-JLTOFOAXSA-N 432.481 -0.071 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792516264 IZZCQJMDZZWSIV-CZAMWMTLSA-N 429.433 -0.785 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)n1ccnc1 1793144830 ZUFIAJGEQHSKBV-ZJOBFFGXSA-N 427.465 -0.654 50 20 IBGD O=C(Cc1cccc(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795235972 BUPGZAWSAVNAQQ-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439513 IGGLUCXTNPRVKZ-OVSYPERQSA-N 446.508 -0.375 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801121102 ZIVZGJCUOXIFFD-BUWBCJGYSA-N 428.283 -0.326 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1813073186 HXNXEUKKOXEEJG-YRNRMSPPSA-N 430.509 -0.404 50 20 IBGD Cc1nscc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833749486 OPVSAJLKPWLVQM-LJQANCHMSA-N 439.538 -0.105 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CCC1=O 1839199487 XPXVPNLISKCQJV-CZUORRHYSA-N 449.277 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840829804 QQVKMGCPNWUVBP-MSOLQXFVSA-N 432.468 -0.139 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 15639679 OEHUOPNGJYJCNH-HNNXBMFYSA-N 443.547 -0.022 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 729274786 CVZBIQDVXYSWAT-CYBMUJFWSA-N 426.495 -0.611 50 20 IBGD Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744385010 RBPRHAVUGFHQBZ-UHFFFAOYSA-N 446.489 -0.069 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc(Cl)cc1 745476256 CTAWOVOQSCDRKK-CZPYZCIJSA-N 435.820 -0.193 50 20 IBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)C(=O)NC1CC1 749838887 RFTIYTKFELJGSJ-UHFFFAOYSA-N 425.286 -0.785 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNC(=O)C(=O)Nc1ccccn1 755495542 ZUGYODWJJUCIMC-LBPRGKRZSA-N 434.453 -0.317 50 20 IBGD CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764227724 QTXUKBWHEXXNJG-SECBINFHSA-N 448.885 -0.071 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 764228601 YXMTXFBENCWCEG-SMDDNHRTSA-N 428.467 -0.732 50 20 IBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)O1 775459709 FYRIYBUBIWQCNH-DZGCQCFKSA-N 441.510 -0.483 50 20 IBGD CN(CCNC(=O)NNC(=O)C(=O)Nc1ccccn1)S(=O)(=O)c1ccc(F)cc1 798118370 SKMXUDZARQQEET-UHFFFAOYSA-N 438.441 -0.190 50 20 IBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 807026212 LQOVMIMWTIJLEC-AWEZNQCLSA-N 448.461 -0.205 50 20 IBGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc2c1CCN(C)C2 1328386582 PZGIWHHOBRNXNN-CQSZACIVSA-N 447.521 -0.305 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1778792081 QJFMAUZSIHBRMU-NQIIRXRSSA-N 432.282 -0.602 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779552227 WPZRLEFOPFQSPH-HXUWFJFHSA-N 429.433 -0.472 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783342428 LQYYZQKVXHTVKN-MAUKXSAKSA-N 439.115 -0.017 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783536044 CUTFEFOJMSCHPF-HWPZZCPQSA-N 426.271 -0.198 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784095371 CQGFAVXDDCRDLO-RKOFLFEYSA-N 441.916 -0.964 50 20 IBGD Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)c(=O)nc1O 1785351462 YBNCOBGTMXFMCO-LJQANCHMSA-N 438.557 -0.061 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982942 CYTODIBQQSDPOC-IKICRFKJSA-N 448.281 -0.479 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788738729 FSOLSXNGWXNLOO-CBVHJVASSA-N 445.325 -0.736 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2)[C@@H](O)CCl 1792974852 DVAOWMRONNCRKM-HFLGISGGSA-N 440.884 -0.818 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736833 KDJUBQHTXPOXCO-VYCZESIESA-N 426.282 -0.898 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191068 VIAQHGXYMKNCGG-BCDXTJNWSA-N 449.338 -0.956 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1796439670 VZDYSGOMTWTQNJ-GPVAFHQSSA-N 441.448 -0.481 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798638288 CNKVKTYXFZFVLN-LOUJCGABSA-N 432.481 -0.912 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)N1CCN(C)CC1 1799185791 NLZZCXZCJGHDPA-UXXRCYHCSA-N 435.338 -0.098 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801009403 FUWAZEABOWVWOO-YVWYUNDQSA-N 446.508 -0.384 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807799103 DPHIDBWGJHXAQY-VQIMIIECSA-N 434.265 -0.179 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1C1CC1)CCO2 1830495033 HVAVLNVAHGKEOR-IPJJNNNSSA-N 428.294 -0.518 50 20 IBGD CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833334354 SPEBBDZYUVSFHZ-KXBFYZLASA-N 440.884 -0.290 50 20 IBGD CC[C@@H](C)[C@@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797934 NLEFHPQUGNKANC-IIBYNOLFSA-N 444.385 -0.075 50 20 IBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)N1CCOCC1 729624594 YJNWNTAMNRHJSF-KBPBESRZSA-N 427.527 -0.010 50 20 IBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739413441 QTXGYCUPCYEARI-OAHLLOKOSA-N 429.520 -0.018 50 20 IBGD CCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c2ccccc2c1=O 756038635 PGOCVNGODHIDKA-UHFFFAOYSA-N 447.477 -0.721 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1F 764210340 ASLUDHRWDXKMNX-SNVBAGLBSA-N 425.417 -0.845 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(Br)c1 764227693 QDAFYTNFMGFYEE-LURJTMIESA-N 425.236 -0.388 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cc(C)[nH]n2)c1 765587432 KOBQIFMYPBOIBM-UHFFFAOYSA-N 436.494 -0.060 50 20 IBGD CC(C)Oc1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 765729715 ZKOIZPSTBVXTGD-UHFFFAOYSA-N 449.855 -0.270 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn(C)nc3C)CC2)cc1 765733064 MFMABAZQUIYHJO-UHFFFAOYSA-N 434.522 -0.196 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3nc[nH]n3)CC2)cc1 766637170 ZLLHPVQYVJQPKE-UHFFFAOYSA-N 435.510 -0.800 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1 770253195 JDJCAHXXEISWBG-UHFFFAOYSA-N 425.854 -0.280 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1C 786432744 PPTPXRXCXKMLID-UHFFFAOYSA-N 449.537 -0.658 50 20 IBGD Cc1nn(C(C)C)c(C)c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 794392990 MINLNLGICSIQBU-UHFFFAOYSA-N 430.469 -0.782 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 808045873 RNIXRTKLSOLJAU-LBPRGKRZSA-N 442.494 -0.377 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CCn1ccnn1 820911158 UUQAAILUMNGJMW-UHFFFAOYSA-N 436.494 -0.531 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1OC 919241458 FKKGMIKJUIVVCR-ZDUSSCGKSA-N 443.478 -0.178 50 20 IBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 921234193 UJBGZHAQHIDRGP-UHFFFAOYSA-N 425.467 -0.628 50 20 IBGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc2nccn12 1782350922 LOCXVHAEQFCRSE-QFIPXVFZSA-N 449.276 -0.525 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)n1 1784091126 KCTMNCTVNVMLKO-VGWMRTNUSA-N 440.928 -0.134 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784349444 CJZDXIXBCOLDAG-YCRPNKLZSA-N 432.525 -0.283 50 20 IBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785037081 DFYFLSQCXCSPJH-JONQDZQNSA-N 435.974 -0.286 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3)[C@H]2C1 1786160438 OGYDAVMAVYLCLP-SMKMMKTPSA-N 441.492 -0.003 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788516923 SETLVSJDDDFWSZ-LHIBYTEYSA-N 435.569 -0.321 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1791055714 GJFJADJKQYVUKC-SMSYFYOWSA-N 434.331 -0.600 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2c(O)nnc12)c1ccc(B(O)O)cc1 1796726157 YFIPULUXNLXDNQ-MUJYYYPQSA-N 435.249 -0.320 50 20 IBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1ccccc1=O 1797937315 JLROYGISTSKRBZ-MFCZKXCZSA-N 433.509 -0.628 50 20 IBGD CCc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1797960314 YNSBCUCRCYSJCN-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD CCc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798175161 XENSGLVZLGYUQR-CCWDJLKJSA-N 427.266 -0.258 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813071584 UNNJQRPYOSCZTK-BXWFABGCSA-N 447.540 -0.093 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829959544 HCBAKTHERRFHIN-OGHNNQOOSA-N 432.315 -0.248 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831330728 VGWHKZXFMUCJIS-ZQIUZPCESA-N 439.962 -0.212 50 20 IBGD O=C(c1cccc(=O)n1O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833475505 QEXMMLABFUOHJV-XJKSGUPXSA-N 448.245 -0.154 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833984264 SJAXAUPFRIYWCP-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1833998578 KZCDATIWMDAJTK-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccon3)CC2)CC1)c1ccc(B(O)O)cc1 1834797969 QZIHSAGLDZTDBI-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD COC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798168 YWUIVYMIDJYZCM-MRXNPFEDSA-N 431.342 -0.166 50 20 IBGD Cc1ccn(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931713 YMHOVLMUSWMPIZ-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840422904 NXMDYBSPBARAQB-DOXZYTNZSA-N 427.885 -0.095 50 20 IBGD Cc1ccc(=O)n(C(C)(C)C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)n1 1843014244 PALUNNVKPLLAKF-UHFFFAOYSA-N 438.293 -0.516 50 20 IBGD CN(C)N(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@H]1CCS(=O)(=O)C1 728160895 BWOCSWKWWPEEBV-VIFPVBQESA-N 447.315 -0.615 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752156643 VBHVCUJFCAFMBP-SNVBAGLBSA-N 430.464 -0.764 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 755474833 PWPRRRNPQWOERE-MXWKQRLJSA-N 434.544 -0.157 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 758036818 VXVOZMDPBCFUDZ-SJKOYZFVSA-N 430.458 -0.178 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2[nH]ncc12 1796156811 NKOIOUAXWFNZNN-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)no1 1799350272 WLLMSIMCWIBESS-RDBQEKCUSA-N 447.261 -0.007 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1800975103 JEDBAFVWQLOBDV-FQLMCAECSA-N 437.946 -0.745 50 20 IBGD C[C@@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801225432 QSXPDIKPVMQCDQ-JWVYWZTKSA-N 437.305 -0.157 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812717030 YMXRVAWDHQQZCL-AOIWGVFYSA-N 442.944 -0.372 50 20 IBGD O=C1CC[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)N1 1814401140 NBIVUJDIMZXLMQ-GXTWGEPZSA-N 428.279 -0.673 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476957 IYQPJGIDEWMKLV-SJKOYZFVSA-N 427.270 -0.080 50 20 IBGD COC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822621610 QEFFNHVTZSCZIK-OAHLLOKOSA-N 429.242 -0.249 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052603 RIUORPLBCQBGMO-LJQANCHMSA-N 438.293 -0.003 50 20 IBGD CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(C)(C)C 1830725219 HLQCNMDPAWXEDA-KHYOSLBOSA-N 433.933 -0.407 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730596 BPRJRWXSJAZRPW-SCLBCKFNSA-N 449.838 -0.087 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142126 OSWNZQGRQZDWDH-SWLSCSKDSA-N 431.291 -0.840 50 20 IBGD O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)ccc21 1837147823 VQFOZCZONJCXRG-UZLBHIALSA-N 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GYWIBSPNAUTUFG-UHFFFAOYSA-N 427.421 -0.328 50 20 IBGD CNc1nsnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028656 GYTVQMAJKOAKQK-GOSISDBHSA-N 446.493 -0.664 50 20 IBGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1783523030 TTZKZDIVXQFINP-AVGNSLFASA-N 439.542 -0.454 50 20 IBGD Cn1cc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787744087 VAPZWNDYYRBPPT-FNHZYXHNSA-N 429.257 -0.249 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cn2ncccc2n1 1788015544 VWJMXRVKOFUMSD-IEZWGBDMSA-N 449.276 -0.684 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789925676 GZWZALOSKQJBSU-XGZQDADWSA-N 440.266 -0.279 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1793317517 CRBRRJDYZOBJKW-RXGFPQBGSA-N 440.360 -0.313 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795682455 QZFNSQJUVUIXGH-DLRJPAPCSA-N 432.525 -0.566 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1)[C@H](F)Br 1796571525 JRRNBSNZNWEUEQ-PJFCORBGSA-N 428.222 -0.245 50 20 IBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194556 MJDNWBWCHYPTPP-NFFDBFGFSA-N 427.299 -0.136 50 20 IBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802106651 INVIEZJFVCPNBU-MIJXAVMKSA-N 435.955 -0.310 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)n1 1807369881 XOFIYGWBEOTLCO-AEFFLSMTSA-N 434.265 -0.477 50 20 IBGD O=C(c1cccn(C(F)F)c1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730594 BPRJRWXSJAZRPW-FZKQIMNGSA-N 449.838 -0.087 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834071977 WEQIPPSDTMPFFP-UHFFFAOYSA-N 447.540 -0.260 50 20 IBGD Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)cn1 1834191847 PNRKICHGKAUBSM-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1)c1ccc(B(O)O)cc1 1834797923 LZQDWJIHSPMPRI-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 1835737380 MZEGLLKPQNRTFS-OAHLLOKOSA-N 444.536 -0.093 50 20 IBGD Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835935569 UHQXECVQPAINTM-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837316305 YXWCTWPHRIOVOI-IINYFYTJSA-N 432.779 -0.852 50 20 IBGD CCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461295 SWJZSLOFTSRQKT-HXUWFJFHSA-N 435.481 -0.818 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cnnn1 1839203397 JZDNRMDAEPFOBE-SUNKGSAMSA-N 435.254 -0.619 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1844264913 XGFDRLUXFAYDCD-LSDHHAIUSA-N 440.504 -0.097 50 20 IBGD O=C(NNS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CCN(c2ncccn2)CC1 728854173 ONLRNUBWOGYVEO-UHFFFAOYSA-N 429.466 -0.322 50 20 IBGD CN1CC(=O)N(CCCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 742300685 HPMKIZCOVHLWGG-CQSZACIVSA-N 434.405 -0.809 50 20 IBGD Cn1nc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c2ccccc2c1=O 742473916 JZMDCSGAKQIYGE-RRCSTGOVSA-N 439.428 -0.753 50 20 IBGD CCn1nc(C(=O)NNC(=O)NCCCN2CCC[C@H](C(N)=O)C2)c2ccccc2c1=O 745828952 BNHZZFFOFBWJIS-AWEZNQCLSA-N 443.508 -0.052 50 20 IBGD COC(=O)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 755861172 AMZJLSMKWWKOJK-UHFFFAOYSA-N 443.420 -0.618 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 756838341 MAXSMGFVKWZTAU-MGPQQGTHSA-N 426.474 -0.277 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 764225630 BDYBVPXERVKGKL-MROQNXINSA-N 426.499 -0.424 50 20 IBGD CCOc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c([N+](=O)[O-])cc1OCC 764427447 ZXTLNHOERFQYPK-CQSZACIVSA-N 426.382 -0.107 50 20 IBGD CN(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(N)=O 773562043 QLVPFRVFWUCOJE-JTQLQIEISA-N 425.389 -0.341 50 20 IBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 809956850 FUBYDTXAZVYRSB-AWEZNQCLSA-N 448.505 -0.598 50 20 IBGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCCCC1 916253616 BGLVGZYSZPUMTC-UHFFFAOYSA-N 436.498 -0.142 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1782208977 DUYXKLSGDVWMDS-FOIQADDNSA-N 434.497 -0.317 50 20 IBGD CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784934811 JGIVKWFIVZDLCF-WBAXXEDZSA-N 446.508 -0.853 50 20 IBGD C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607824 LXFMIROPKIBOIN-USJZOSNVSA-N 429.477 -0.683 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791703286 UAJSAFMEHLLVQP-HSCHXYMDSA-N 440.309 -0.274 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1793318360 PQZMUTNFBSDBAT-QNSTZXKLSA-N 425.935 -0.842 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)on1 1832573033 KDYLXQPPJHYOOJ-FQEVSTJZSA-N 437.497 -0.645 50 20 IBGD C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934351 XEUAXDQJSZVYMY-JOCHJYFZSA-N 446.309 -0.581 50 20 IBGD Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935041 CTGFVVLJYZVDGC-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837411026 UGSYFLSAYANXNI-NQIIRXRSSA-N 430.266 -0.871 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730456897 FTHOBZSQVHNNMB-JKSUJKDBSA-N 443.547 -0.190 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)N[C@@H]2CCOc3ccccc32)c(=O)n(C)c1=O 741481439 ZWPUKFHEINSIPR-LLVKDONJSA-N 436.519 -0.410 50 20 IBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 748866713 MRNNOKVIECDTEQ-UHFFFAOYSA-N 436.512 -0.413 50 20 IBGD C[C@H]1CN(Cc2csc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)C[C@@H](C)O1 755474835 PWPRRRNPQWOERE-OUAUKWLOSA-N 434.544 -0.157 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 763862222 WCIRJUWKQMVUDW-CYBMUJFWSA-N 446.464 -0.077 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 764228515 XPQPZDBYNAQMQI-SSDOTTSWSA-N 444.363 -0.210 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(Br)cc1F 764231897 QQLUJSYOGIFPOI-RXMQYKEDSA-N 443.226 -0.249 50 20 IBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1-n1cccc1 765730784 OBNIDKUQWCSRRR-UHFFFAOYSA-N 435.444 -0.006 50 20 IBGD CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639540 QJLBSGGULDWTSZ-CQSZACIVSA-N 428.449 -0.253 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 771901771 NPBMNOPNPFSDMN-LBPRGKRZSA-N 443.478 -0.181 50 20 IBGD COCc1noc(CN2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)n1 780978051 RCQAACUJUOUNMN-UHFFFAOYSA-N 437.482 -0.434 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)c3ccco3)CC2)cc1 783530228 WJBYCAXPOAEJDV-UHFFFAOYSA-N 442.519 -0.096 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 792853074 CINGZYDUTMBJNJ-CABCVRRESA-N 447.583 -0.080 50 20 IBGD O=C(NNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccc(-n2cnnn2)cc1 801739213 YXOORAOUZJXWAI-UHFFFAOYSA-N 434.482 -0.483 50 20 IBGD CN(C[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1)S(C)(=O)=O 804868401 GTTBEIXSCGOAIJ-ZDUSSCGKSA-N 436.498 -0.380 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCC2)cc1)C1CCC1 811684569 OXJLXAOPSCOWKK-UHFFFAOYSA-N 430.508 -0.094 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cscn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984330 DYUSPRWIAVWMOV-WBAXXEDZSA-N 429.307 -0.341 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccccc1 1795055751 DGZNPTAPRZSQRA-JLVBRIDZSA-N 437.456 -0.229 50 20 IBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(C)(C)C 1795733027 YPTJBPMFBAPKAJ-UKBAYJJMSA-N 445.325 -0.880 50 20 IBGD Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cn2[nH]cnc(=O)c12 1796188630 AOYVFVZTMMAACH-BJWYYQGGSA-N 449.276 -0.424 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2 1796441732 WJEJOFPNZKPHMR-WVTGSVNBSA-N 430.421 -0.283 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797238304 MZRPVFCBVDYFMM-JYYAWHABSA-N 431.375 -0.003 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C\C(=O)NC1CC1 1798297032 SHWZAIXSZZHMNI-BNHNOLAQSA-N 426.477 -0.228 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc[nH]c2C1 1801270532 NWNDXHIKYAIJES-GXNBUGAJSA-N 432.525 -0.523 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc[n+]([O-])c1)CC2)c1cccc(B(O)O)c1 1815355141 OPLJXLJRYQHNPA-OAHLLOKOSA-N 438.274 -0.004 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563875 NNYUWUSERGIRGE-WQGACYEGSA-N 434.287 -0.418 50 20 IBGD N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)cc1 1838950426 USBJFCIRETVQBK-HSZRJFAPSA-N 449.272 -0.378 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1840149823 AWAKWVMUCGQVKA-ACJLOTCBSA-N 428.873 -0.191 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1840187075 JNTUHQKLMWXZSW-OXJNMPFZSA-N 426.514 -0.758 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)C1 1845742132 IYHQAXATHLUMCY-HXUWFJFHSA-N 432.289 -0.050 50 20 IBGD O=C1CN(c2cccc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H](O)CCl)n2)CCCN1 1847556191 GAPJXFNJMXXAOV-HRCADAONSA-N 435.912 -0.177 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 729619451 QIQBFVIKMOMJRS-GJZGRUSLSA-N 425.511 -0.256 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cc2)CC1 730090547 ISXDEAOCUNXOCL-UHFFFAOYSA-N 434.478 -0.734 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 731679207 BCIGHUMOYTVNGZ-UHFFFAOYSA-N 428.511 -0.087 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)OC(C)(C)C)CC1 735118264 PBQZJJITAYWLML-UHFFFAOYSA-N 428.515 -0.015 50 20 IBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 760133198 URWHQAIRUBPRMI-JKSUJKDBSA-N 442.542 -0.162 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)c1 763258884 NDEWDKPXTZHGHH-UHFFFAOYSA-N 431.434 -0.847 50 20 IBGD CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764378730 MVNXEAHLBVRTCY-UHFFFAOYSA-N 441.448 -0.909 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 764399008 JENGJYFKECTIDL-GFCCVEGCSA-N 444.510 -0.099 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccc3ccccc3n2)n(C)c1=O 765731950 TXLTYIGQRZGARU-MDZDMXLPSA-N 433.428 -0.157 50 20 IBGD CCCCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 776073366 SWRDNDXTSPQQHM-UHFFFAOYSA-N 444.452 -0.140 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 784002959 XUULVZGTPNYMBL-UHFFFAOYSA-N 429.389 -0.252 50 20 IBGD O=C1C[C@@](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)(c2ccccc2)CN1 811237729 WIAHBFMIOLDBMJ-VGSWGCGISA-N 439.424 -0.025 50 20 IBGD Cn1cc(C=NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(C)c1=O 839402290 JYEMBTQIYJNNKJ-UHFFFAOYSA-N 427.442 -0.104 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1779037335 WGBQZISNQCLJAB-OAQYLSRUSA-N 441.444 -0.146 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104838 FTZDQDAYLULOJQ-LAAGDHCCSA-N 439.513 -0.282 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1 1780356352 UKYXFRLGECYIEY-OAQYLSRUSA-N 441.297 -0.530 50 20 IBGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)(C1)C2 1783442497 DEFRKNOMXJWQFY-HRTMPFAESA-N 442.277 -0.847 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783534259 HGMSMBDJJMRYFC-PSLIRLAXSA-N 440.258 -0.961 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784621808 QVRAWFSVXWORPC-WODVNSBQSA-N 437.460 -0.368 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)cn3)[C@H]2C1 1786274778 CIRTXDKTYYSRPI-IWEFOYFVSA-N 440.460 -0.307 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3O)[C@H]2C1 1788827220 JAPNJCJBEFDARG-IWEFOYFVSA-N 440.460 -0.307 50 20 IBGD C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C[C@@H]21 1791051402 YMYHKIMOXVFLCO-WNHJNPCNSA-N 447.536 -0.307 50 20 IBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1791056395 WPVUFVTXSLLVDB-VGWMRTNUSA-N 431.375 -0.003 50 20 IBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21)n1cccn1 1791641424 ZHAODXCYTMOGIH-BODMPHMZSA-N 441.492 -0.264 50 20 IBGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797004941 GTTNBOOWONDRPG-ALXJQNPVSA-N 449.276 -0.765 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2nccnc2c1 1797054827 MXDOUERBVAVRRL-UPHUGPLXSA-N 446.272 -0.173 50 20 IBGD O=C(CCn1ccnn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980650 ZIESGPIRAVORFP-UHFFFAOYSA-N 425.298 -0.107 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826877295 WORQCAYTDVHJDL-KRWDZBQOSA-N 435.573 -0.181 50 20 IBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cnccc2C(=O)NN)CC3)C1 1827269863 ADMGINGNCAYNEW-LLVKDONJSA-N 429.506 -0.071 50 20 IBGD Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834931988 LLQZMJBUSAWDNO-UHFFFAOYSA-N 440.313 -0.708 50 20 IBGD O=C(Cc1ccccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836186810 BXCYVGFIVSXYOP-QFIPXVFZSA-N 439.277 -0.926 50 20 IBGD CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455715 FDXZNAAIQDZGOW-HXUWFJFHSA-N 430.465 -0.695 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840129512 XFOWRRVSZQBTGI-QVKFZJNVSA-N 432.282 -0.948 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCC(=O)N3CCOCC3)cc2)CC1 728214738 RRUAJMIFUIBSJB-UHFFFAOYSA-N 439.538 -0.295 50 20 IBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732474934 ZRKCISSXQTWYEN-OAHLLOKOSA-N 439.494 -0.244 50 20 IBGD CCOc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1OC 748110640 ARKUGNIZJUYBNL-UHFFFAOYSA-N 430.483 -0.300 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 758024595 HMXPHZBYXYEISR-SSDOTTSWSA-N 442.313 -0.449 50 20 IBGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)n1 760303672 SLHFJBBDVDDQFQ-UHFFFAOYSA-N 442.461 -0.143 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764204885 VEPSDZJLPGXTEA-UHFFFAOYSA-N 430.465 -0.852 50 20 IBGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784003677 LQCLHQIMBWPQIT-UHFFFAOYSA-N 447.473 -0.221 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCSCc2ccccc2)n(C)c1=O 792238720 WNEQWBCPYLPYPO-UHFFFAOYSA-N 430.490 -0.095 50 20 IBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)cc1C 793022305 UUKVXLXZLAUAQM-JTQLQIEISA-N 429.426 -0.169 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781542823 WUHHLYNGNWMKHR-PSTGCABASA-N 448.314 -0.173 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781770570 JSZQLOXBCXOQSW-FOIQADDNSA-N 432.481 -0.922 50 20 IBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784095370 CQGFAVXDDCRDLO-RDDKANTKSA-N 441.916 -0.964 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979788 GRRQOWZNWUSQAC-SZMVWBNQSA-N 449.276 -0.684 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4N3)C[C@@H]21)c1cccc(B(O)O)c1 1786985163 OPDNNMUWHYNGFA-UDDWMFPDSA-N 449.316 -0.004 50 20 IBGD CN1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)C1 1788609971 HRQDWVWUBRJLRJ-PDWMJMLSSA-N 444.536 -0.380 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n(C)n1 1791288727 QRCPOARBMDTLRE-DZKIICNBSA-N 436.513 -0.605 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ccncc34)C[C@@H]21 1791289247 PMPADKFESONSBC-QRTARXTBSA-N 443.508 -0.076 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792871429 YGLZNHMUEROQBJ-YGEZULPYSA-N 436.303 -0.329 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C1CC1)C2)c1cccc(B(O)O)c1 1795739070 UCSDBMXCOJWHBK-MIFYACCESA-N 442.306 -0.388 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797622034 WRWWPZIYMSYHOP-DYNIEEOBSA-N 429.319 -0.060 50 20 IBGD CCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749537 COSFVLWQYMUNJC-FVCICTRLSA-N 427.465 -0.582 50 20 IBGD CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009284 YJEZGFMPKAAFCN-GNXNZQSNSA-N 425.515 -0.844 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803143067 SOOCWHGVXYEPRB-YYIAUSFCSA-N 426.901 -0.162 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1826004790 QVEJRRFSYQBKSD-VXGBXAGGSA-N 434.946 -0.405 50 20 IBGD O=C(Cn1nccn1)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056096 AVERZJUITDHAKU-IBGZPJMESA-N 425.298 -0.109 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830029164 DNGYDMFVCJGZAB-CPOKCXMASA-N 447.492 -0.387 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830724881 IZWXDDTYLZOGOP-VQIMIIECSA-N 426.901 -0.183 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819536 QQBAWOLPQFZSCK-OAHLLOKOSA-N 441.344 -0.338 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413601 HBIYROUDAIAFOI-CXAGYDPISA-N 432.315 -0.151 50 20 IBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)CCl)C3)C2)CC1 1836666062 QGXFAXCDCRIBAP-FQEVSTJZSA-N 430.977 -0.045 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843325401 XEKBUQGFAMJKQX-INIZCTEOSA-N 447.297 -0.931 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cscn1)C2 1844264140 JYWIDKPDYHWRBC-HNNXBMFYSA-N 429.506 -0.471 50 20 IBGD CN(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 746008003 IOPLNQQJCMHYHQ-LBPRGKRZSA-N 440.931 -0.276 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 756204734 IZTAQYYIMBWWPG-NSHDSACASA-N 449.555 -0.005 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764286230 QLJXZIJKYVYNKE-UHFFFAOYSA-N 434.478 -0.087 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 764317767 RMODKFAXEAPKLG-UHFFFAOYSA-N 428.467 -0.862 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCN3CCCS3(=O)=O)CC2)cc1 766641668 KMUIPEQFLDRDGL-UHFFFAOYSA-N 437.566 -0.314 50 20 IBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCc2ccccc21 766645575 UQEQTWHJQACOMM-GFCCVEGCSA-N 425.449 -0.968 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778777546 RJFZEIJVWGYKKZ-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1779029284 VKFWYXUIZRZOGQ-HXUWFJFHSA-N 426.433 -0.924 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979473 MCYRKDSCDBKZER-ZIBCJSCZSA-N 438.289 -0.307 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnn2ncccc12 1787377415 YTKLXSQWDAVPQD-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792871426 YGLZNHMUEROQBJ-BYNIDDHOSA-N 436.303 -0.329 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1793882910 ZROPPCXYIIVKOV-OPDFLTKYSA-N 447.920 -0.624 50 20 IBGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1794171747 XTTKFCRINQTEIA-CWPLJXCYSA-N 438.488 -0.166 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748565 IPOLKBPWYFUTHK-ZSBFGKGUSA-N 441.492 -0.448 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798485595 KVKNKNIRKDYPDR-YGKRUVITSA-N 446.508 -0.591 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837456996 RYAQTNTYHQBTRJ-NRFANRHFSA-N 440.460 -0.536 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837820917 HOSLGWOUPQOCAA-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1CC1)c(=O)n2Cc1ccccc1 15663338 PJPCCIXVEUUDOJ-UHFFFAOYSA-N 440.460 -0.388 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 756464092 VZIRWGKJWRFIKO-UHFFFAOYSA-N 429.842 -0.644 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CCCS(=O)(=O)C3)CC2)cc1 764816737 AHNDNJACTPQKMK-UHFFFAOYSA-N 442.563 -0.018 50 20 IBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)nn1 766659604 CUEPSNCDNHLSOZ-CQSZACIVSA-N 435.916 -0.050 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC)nc2)c2ccccc2c1=O 770213391 ZNSDOAPDZJXFBT-UHFFFAOYSA-N 430.446 -0.206 50 20 IBGD C[C@H](C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772885089 VFBPOZHOMFASJR-NSAPBPOKSA-N 448.863 -0.346 50 20 IBGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782646976 DXMFOXOGSOMMFV-FZMZJTMJSA-N 425.324 -0.009 50 20 IBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nc2ccccn12 1796845202 HHGPVDKTRINPMB-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD COCc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798508196 XUOIDRGNZDPKGC-HGKCTWBKSA-N 427.266 -0.642 50 20 IBGD COc1cc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 15400861 VHIPKNKZDBVUQL-UHFFFAOYSA-N 430.483 -0.949 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 753778884 QNGKPEQPOAETEF-VIFPVBQESA-N 426.476 -0.323 50 20 IBGD Cc1ccc(NCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 761426112 SWPACDURFINZBM-UHFFFAOYSA-N 427.465 -0.300 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CC(C)C 763880906 BGHYSXCBXWJMJF-UHFFFAOYSA-N 442.494 -0.152 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)ccc1-n1nnnc1C(C)C 783998630 GJBOLJWOYRAFEY-UHFFFAOYSA-N 428.453 -0.198 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1Br 785991093 ORLLSELNSCOEPK-RXMQYKEDSA-N 443.226 -0.249 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C#N)c(Br)c1 788490593 DOVPRFXNMPMLLU-SSDOTTSWSA-N 425.286 -0.432 50 20 IBGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)CC1 815778698 CFAREBNKSAZTDI-QGZVFWFLSA-N 431.493 -0.342 50 20 IBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 913151333 APIZWYBQQRMZOW-UHFFFAOYSA-N 438.506 -0.129 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cncnc3C)CC2)cc1 1253116332 RGIVZUZPULWKQF-UHFFFAOYSA-N 432.506 -0.139 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1787507535 AFPXISWTKZMAKG-UYNIXGBOSA-N 444.492 -0.764 50 20 IBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1791394994 ITSFRWXJDYJXDM-USXUVBGUSA-N 432.246 -0.418 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793085659 CJHYSGWHURZUTJ-ZQNQSHIBSA-N 449.932 -0.549 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793945151 IHKYVJUBXFRWJR-UYNYGYNWSA-N 431.287 -0.652 50 20 IBGD CC(C)(C)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)[nH]n1 1795740192 CFYHHEBHVAEXSZ-CCWDJLKJSA-N 440.309 -0.096 50 20 IBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)[C@@H]1SC(=N)NC1=O 1796874838 LHPONLKJPUNBDR-IRHMCKRBSA-N 444.322 -0.579 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)c1ccco1 1800238603 VGURFGWIJDPSSJ-XOIINTDNSA-N 434.204 -0.045 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1801013282 ZFDAZSDIZJJFQO-IVWMJMPLSA-N 447.471 -0.555 50 20 IBGD CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372497 FROUFRCSIRCODW-RXVVDRJESA-N 438.293 -0.393 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1813034074 ACKICHQWUAZYDH-IJEWVQPXSA-N 440.884 -0.116 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826227170 DCEWGYSWWRBZHV-NWDGAFQWSA-N 436.538 -0.046 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cncn1 1826786862 RNZONUWVAGRWBP-SMDDNHRTSA-N 440.294 -0.099 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831516987 ANJKSVOOHAIRIF-ZAAXVRCTSA-N 428.530 -0.777 50 20 IBGD Cc1occc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834139068 HGYCHYKQVQQDEE-NRFANRHFSA-N 443.460 -0.030 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030262 HGQXARZMPFBMFI-IUODEOHRSA-N 441.344 -0.339 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186790 PNKCPWJKNZUFJG-XHDPSFHLSA-N 446.353 -0.426 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1846385003 JKMHTSMKONYSTK-UHFFFAOYSA-N 431.497 -0.793 50 20 IBGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)C[C@@H](C)O1 728956915 AZJWSUWYFGBJOM-HUUCEWRRSA-N 440.526 -0.664 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729275526 PDSFMRCAJYAYOX-JSGCOSHPSA-N 432.524 -0.767 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 741212256 HZOHOLHPNJJQAK-HUUCEWRRSA-N 438.506 -0.179 50 20 IBGD Cn1nc(SCC(=O)NNC(=S)N[C@H]2CCOc3ccccc32)c(=O)n(C)c1=O 741481442 ZWPUKFHEINSIPR-NSHDSACASA-N 436.519 -0.410 50 20 IBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2=O)n1 743509947 NRVJSQGPRROWGZ-GFCCVEGCSA-N 448.509 -0.147 50 20 IBGD C[C@H](NC(=S)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC1 751619400 UUCGFAQDNJWOBD-NSHDSACASA-N 427.552 -0.040 50 20 IBGD COc1c(C)ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 755719189 XFKTWGYCGUNWLC-UHFFFAOYSA-N 429.437 -0.088 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 758042897 BVKVSLOHNPOELR-HIFRSBDPSA-N 446.551 -0.687 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc2c1OCC2 758151744 VRPGARWLPLCFNR-SSDOTTSWSA-N 442.313 -0.369 50 20 IBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765318712 NCABTVKHGWAQJW-NSHDSACASA-N 432.503 -0.461 50 20 IBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)Cc1cn2ccccc2n1 765758992 SDFNGSDDIODYAG-UHFFFAOYSA-N 436.476 -0.057 50 20 IBGD CCOC(=O)CON=C(C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1cc[nH]n1 770813236 FONYMUSTZZEFTQ-UHFFFAOYSA-N 441.404 -0.598 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 778445836 SUFKUDKMLSMIDC-UHFFFAOYSA-N 435.485 -0.423 50 20 IBGD Cc1nc(Cn2cc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)nn2)no1 781825405 XSQVDOOWIOQBHK-UHFFFAOYSA-N 439.480 -0.009 50 20 IBGD CN(C)N(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 792853693 GJPVNSKIHOPFJL-CYBMUJFWSA-N 434.496 -0.245 50 20 IBGD CN(NC(=O)c1ccc(S(N)(=O)=O)cn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 798339554 ZOOPHINFQCZQFL-UHFFFAOYSA-N 442.498 -0.022 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc(S(C)(=O)=O)cc3)n(C)c2n(C)c1=O 802067718 YMOGMEWFRPKNRZ-UHFFFAOYSA-N 448.461 -0.554 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)c2cccnc2)c1 916443332 CTCCZSJOZGNIOR-UHFFFAOYSA-N 434.478 -0.294 50 20 IBGD CCN(CCCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)S(C)(=O)=O 918118838 GSQUNJFSQVGPFS-UHFFFAOYSA-N 448.571 -0.096 50 20 IBGD Cn1ncc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1I 1326248500 OSNZTPNPCDTKTH-LURJTMIESA-N 427.224 -0.844 50 20 IBGD Cc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1F 1779029052 QQUXDGMSXIBIGR-FQEVSTJZSA-N 445.455 -0.377 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1779029409 XAYDNUJZXPPROX-FQEVSTJZSA-N 428.449 -0.332 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1783935347 NANZTYOJDASMIZ-INIZCTEOSA-N 447.418 -0.360 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 1796519260 BCJQAJLJKVLYED-LVTGYEAHSA-N 425.449 -0.186 50 20 IBGD O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)O1 1803642198 CPSNKZBHLGLKMW-NJAFHUGGSA-N 438.249 -0.811 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470045 GXGSYHBMEIMLHI-INIZCTEOSA-N 442.285 -0.333 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1)c1ccc(B(O)O)cc1 1821097247 OJKODELHMXLMTB-LBPRGKRZSA-N 439.262 -0.142 50 20 IBGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824676648 ATEWZMHBSMXTTR-RKDXNWHRSA-N 432.886 -0.148 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830580248 WOZOBAZHLOMMBO-JCYFUXAESA-N 447.492 -0.652 50 20 IBGD O=C(CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)N1CCCC1 1830726367 QIMZEFJWHUSPAG-HNAYVOBHSA-N 431.917 -0.555 50 20 IBGD O=C(/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)NC1CC1 1833310117 JIWBASINGVZTPW-CWIOURORSA-N 426.945 -0.008 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCC(N2CCC(NC(=O)c3cnc[nH]3)CC2)CC1 1834168583 BWHIUAAXILOHHE-UHFFFAOYSA-N 440.508 -0.093 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1836516664 GVTZDHPCCBSSDA-ZBFHGGJFSA-N 441.909 -0.597 50 20 IBGD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182273 CGCPBDOEXAKMSC-ZAAXVRCTSA-N 428.530 -0.777 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841298736 FMHUBJJWUBUCBA-MRXNPFEDSA-N 447.297 -0.931 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 730132620 XFDGFORTVPFVNA-INIZCTEOSA-N 440.570 -0.418 50 20 IBGD CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 732408831 QLOWPHNBBKKMGV-JTGQJZMRSA-N 440.412 -0.015 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1 764226236 GRBYOPDWBFEGBN-ZDUSSCGKSA-N 449.489 -0.273 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 764342637 OQHAQOLUPYLKJX-UHFFFAOYSA-N 431.883 -0.348 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NCCSc2ccccc2)n(C)c1=O 764516015 RALMJAQLUWMEAU-UHFFFAOYSA-N 447.546 -0.279 50 20 IBGD C[C@@H](CC(=O)c1ccccc1F)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730355 JRVNNPUCUATTEJ-NSHDSACASA-N 444.423 -0.371 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1 770969886 VFTOCWYMIBQBJT-LLVKDONJSA-N 449.497 -0.047 50 20 IBGD CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 776063358 SFKFRWVVIJSKKW-JTQLQIEISA-N 433.512 -0.254 50 20 IBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781971980 NODZIJPKXJBKOA-FZMZJTMJSA-N 427.870 -0.043 50 20 IBGD CCn1nccc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784229702 HKCGJIXIWGLCSI-UHFFFAOYSA-N 435.510 -0.079 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 787883734 XWDSFKQAUXMKQM-NEPJUHHUSA-N 432.437 -0.022 50 20 IBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 808086558 CRDMNRSBKCIOIT-UHFFFAOYSA-N 444.491 -0.293 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1778115566 XHMLDXYPESUBQS-YOEHRIQHSA-N 437.946 -0.912 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779430562 AOQCBMYLXPZDLU-LJQANCHMSA-N 445.867 -0.114 50 20 IBGD O=C(CCc1ncc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782402743 SFYPCJQOLMGBPX-XMSQKQJNSA-N 440.309 -0.150 50 20 IBGD CCN(CC)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782691092 IPOTXAXBHZGLPH-VGOFRKELSA-N 431.342 -0.212 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389763 RCXFOFKJWJFVPF-GOSISDBHSA-N 446.493 -0.961 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784572822 XFBPEELDHQGJJN-SGSZHJQISA-N 441.492 -0.074 50 20 IBGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287285 WYEWCHXGKMYYNO-AVGNSLFASA-N 439.542 -0.454 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ncccc13)C2)c1ccc(B(O)O)cc1 1795735760 DMAXLNQFFDXPCE-CWPLJXCYSA-N 446.272 -0.173 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1797967032 VGWBCADQSQEQOJ-DJIJKHNZSA-N 434.331 -0.242 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnncc1C(=O)O)C2 1798439811 HSNMHZCDZBXCGZ-ZSBIGDGJSA-N 439.432 -0.261 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831345649 LNRDXJMVVSFFFQ-DOMZBBRYSA-N 441.344 -0.339 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC(C)(C)C)CCO2 1832317222 IEZQJONJRUWDHL-HXUWFJFHSA-N 428.530 -0.369 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833837657 IQBLJFMUKZRFRM-WBMJQRKESA-N 430.303 -0.084 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834589381 UQUYUUQEHZBPFC-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736542 TYVYRSQGXDOAGF-HOTGVXAUSA-N 431.965 -0.595 50 20 IBGD Cc1cncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)c1 1835929494 RKCXTWGPLLYPRE-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(F)(F)F 1835939905 NHAQNXPYVLIUOF-SFHVURJKSA-N 442.199 -0.445 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837843178 BYSUJFDWLAXGNZ-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1840184973 IIKKILSHCKZTEC-XBQLCILLSA-N 438.550 -0.309 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 758042943 BWPQRXCQUQOLIQ-ZIAGYGMSSA-N 426.495 -0.611 50 20 IBGD CCNC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760162680 JAADMCNHUHBPHE-JTQLQIEISA-N 439.416 -0.032 50 20 IBGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 763196280 SJINHWOHCSRCGQ-UHFFFAOYSA-N 433.446 -0.285 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cc2)CCN1 763680424 IEMKQWBZGXOYLR-UHFFFAOYSA-N 429.408 -0.073 50 20 IBGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2=O)cc1 764231235 NOMLLACBWWLNFB-CYBMUJFWSA-N 449.489 -0.771 50 20 IBGD CC(=O)Nc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C 765727036 IUHMQHAEQVHPFP-UHFFFAOYSA-N 427.421 -0.838 50 20 IBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765736428 RZELFPGXSHOWMP-UHFFFAOYSA-N 442.476 -0.266 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 772144287 RSMCZTXZOIJOOY-OAHLLOKOSA-N 440.522 -0.210 50 20 IBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2S1(=O)=O 917625012 LUFCEBMCSLWZLB-LLVKDONJSA-N 429.476 -0.565 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnn(C3CCCCC3)c2)n(C)c1=O 1333587614 NEEWWENLNZVVMO-UHFFFAOYSA-N 428.453 -0.403 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778476050 XVCDLMXNFMBSCR-NRFANRHFSA-N 435.249 -0.834 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330410 AFCJRGWVNQSVLN-BBRMVZONSA-N 429.051 -0.500 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1782210308 ODCJTJNERWVXEU-GCKMJXCFSA-N 437.541 -0.601 50 20 IBGD CSCC[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1782232049 VUMVPVNHTSYHIO-JXXFODFXSA-N 444.598 -0.013 50 20 IBGD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936936 BFZYXOUAHIYEFD-NRFANRHFSA-N 434.541 -0.218 50 20 IBGD CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1787525973 BUAZJMWDJQLCSC-JQFCIGGWSA-N 446.508 -0.949 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795976165 UJMXEKRRGRRQDX-GPLRMVCLSA-N 431.497 -0.649 50 20 IBGD CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798155307 XYTYJAQVPLJGDP-HGKCTWBKSA-N 426.282 -0.339 50 20 IBGD CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799362161 UKEIWAZTLSCWQW-RGHULWKBSA-N 449.932 -0.549 50 20 IBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1800641916 MMVXTTCWTQFHIM-JTTNIQEDSA-N 434.331 -0.600 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803138535 KKFNTUMJVDTYLF-RYQLBKOJSA-N 431.685 -0.319 50 20 IBGD O=C(CCn1ccnn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972841 SAQSKVWOZMHYGB-UHFFFAOYSA-N 425.298 -0.107 50 20 IBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810306114 UBMRSRXFKZOXNN-JCKWVBRZSA-N 439.476 -0.466 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1810310605 YAROWVODKUEGFD-GUYCJALGSA-N 440.464 -0.932 50 20 IBGD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354917 XFPKXINHVZOSLX-XHDPSFHLSA-N 444.322 -0.085 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048831 KYGYHAVZZMFCKZ-LRDDRELGSA-N 435.319 -0.503 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830539003 YHVXRUWARHKJQD-BBRMVZONSA-N 430.303 -0.235 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1 1833985410 FYWOWVQCXYHDJM-OAQYLSRUSA-N 440.460 -0.536 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834438047 WBHMOGGSKRXIQC-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834466924 RQFPXMAXRBTWLH-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835765577 WVPQMTWNPJZIGS-YLJYHZDGSA-N 446.976 -0.538 50 20 IBGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccco1 1836124720 NMOPQIMNGBXVGP-FZKQIMNGSA-N 429.857 -0.935 50 20 IBGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1836201838 AQBTXKLPYRUOLK-HXUWFJFHSA-N 436.513 -0.979 50 20 IBGD CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839643235 GBWAUZSAWIIRGZ-OXQOHEQNSA-N 427.546 -0.844 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1840153445 OQWDCZPJGFIPER-DOXZYTNZSA-N 441.916 -0.013 50 20 IBGD Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183712 VORNLUDVUOIYEF-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840284457 LZKZLGHFYGBFSK-MRXNPFEDSA-N 432.616 -0.732 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)c1 1847383715 NAYPBEFRHGXPFT-OALUTQOASA-N 442.302 -0.101 50 20 IBGD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307672 KDKREOSFDPLGQR-SECBINFHSA-N 443.425 -0.434 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(OC)c2O)c2ccccc2O1 764132775 XNPGIXCKLGSCMH-HNNXBMFYSA-N 428.401 -0.298 50 20 IBGD O=C(NNC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)N[C@@H]1CCS(=O)(=O)C1 780909014 XVIWSQHESUFFSX-RDTXWAMCSA-N 440.478 -0.411 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1 920297400 GYFFQPOWJRGHEN-CYBMUJFWSA-N 446.551 -0.519 50 20 IBGD Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1116288967 KLOZEHOJZVGGHG-ZDUSSCGKSA-N 428.474 -0.393 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382690 PLACCWOWQVIABB-ORAYPTAESA-N 439.900 -0.286 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778731060 ZTLBJKXEMOGTPT-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CC(=O)N(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782208951 CTWVKDPAYYLJJI-DYESRHJHSA-N 439.557 -0.258 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783349595 OIEQQZCBSUANBB-YSVLISHTSA-N 434.331 -0.360 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783757279 ZMSGOMGHLWMWBC-NRFANRHFSA-N 444.492 -0.859 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1783933862 JTPUQINNVZMVKD-HXUWFJFHSA-N 435.481 -0.788 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935511 UUJYSLJZIPSJSY-OAQYLSRUSA-N 443.508 -0.146 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784545099 BFVKVPMUISXNRB-KSFYIVLOSA-N 439.277 -0.328 50 20 IBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784629479 FIFZLVPWFOEMIR-QVKFZJNVSA-N 426.282 -0.424 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786407313 WUIXLPRSYGOWRU-MNXVOIDGSA-N 436.303 -0.184 50 20 IBGD CCN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1792294001 SGZVULFXZIHZGY-JBACZVJFSA-N 443.353 -0.308 50 20 IBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794975373 SMFJMOJHITXWRB-DYNIEEOBSA-N 440.298 -0.387 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cncn2c1 1797532325 NZANZKLVWVWOLH-CWPLJXCYSA-N 428.493 -0.090 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807365436 OYTXYRVFUZFDKQ-CGTJXYLNSA-N 431.685 -0.319 50 20 IBGD CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370815 KUUZSRBYDIZFCL-QFBILLFUSA-N 445.306 -0.874 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cncn1)CC2 1819797202 PKBYQRCNACMTRI-SNVBAGLBSA-N 441.477 -0.341 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(=O)N(C)C)CC2 1826080706 CZMRZYZVXLBLQJ-NSHDSACASA-N 439.542 -0.301 50 20 IBGD CCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826082927 GAVGMVZWQOREBI-NSHDSACASA-N 445.567 -0.137 50 20 IBGD CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182669 PNUXPAOVROOKPM-FQEVSTJZSA-N 426.514 -0.569 50 20 IBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)=NN1c1ccccc1 728848040 UEFWYDCJKZKBGP-KRWDZBQOSA-N 436.476 -0.039 50 20 IBGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 756674220 MITIKZHVFGZZDH-NSHDSACASA-N 448.523 -0.077 50 20 IBGD COc1cc(OC)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 757629129 LMHLZELUTCPMOU-UHFFFAOYSA-N 449.399 -0.557 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 758038694 GDFZBWYPZCJTIU-NXEZZACHSA-N 447.311 -0.113 50 20 IBGD CCCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764227806 RVKVQDFNJCUUFL-LLVKDONJSA-N 428.467 -0.333 50 20 IBGD Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764230797 LFWQHRLSQVIJGZ-NSHDSACASA-N 427.483 -0.387 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 764231111 MOSYXACNOFVPNJ-LURJTMIESA-N 428.801 -0.035 50 20 IBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cncc(NC(C)=O)c2)c2ccccc2O1 764434751 YAICPUOKSUWTFU-MRXNPFEDSA-N 441.400 -0.232 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccnc2Br)n(C)c1=O 766638105 XVCXYNQZUYXDPO-UHFFFAOYSA-N 436.226 -0.948 50 20 IBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc2O1 784000449 VLSOTHUPVNRXQE-HNNXBMFYSA-N 431.449 -0.923 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 802421291 OKVHHTLCFNLXMX-UHFFFAOYSA-N 447.539 -0.974 50 20 IBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCn2ccnc2C1 1116681172 JLHSSKHTWLFKJD-HNNXBMFYSA-N 448.505 -0.137 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccnc3c2nnn3C)CC1 1256668510 USORYLLYBISGIO-UHFFFAOYSA-N 431.482 -0.549 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1779032411 JFZORNOCCXFGEM-HXUWFJFHSA-N 428.424 -0.024 50 20 IBGD COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984397 CRNVQNOGLDKLJY-IEZWGBDMSA-N 439.277 -0.323 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1787507822 VNKRYGNMVCMFNA-DZYDDEDGSA-N 432.481 -0.634 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1787508146 JAAJLTXKMAEDIW-MXQGQTLFSA-N 443.504 -0.008 50 20 IBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1789870527 LWQUDMNUZPERMN-IBTNMTNLSA-N 438.352 -0.147 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790858100 RKMBHGDZNLOTHX-UYNIXGBOSA-N 444.492 -0.764 50 20 IBGD CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1794560173 RTFYLFIQLFJFMN-DPIQGUFMSA-N 441.448 -0.872 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 1794789179 JIVBHGPCVADYPH-MGRLTOJPSA-N 427.465 -0.243 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812717032 YMXRVAWDHQQZCL-LNLFQRSKSA-N 442.944 -0.372 50 20 IBGD O=C1CC[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)N1 1815354660 PHHVPPAJFROXAI-GXTWGEPZSA-N 428.279 -0.673 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CN1 1817475087 KUAIYCJEBWRKHG-PBHICJAKSA-N 439.281 -0.078 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196231 VUYPRWCBJPUVNC-SFHVURJKSA-N 426.286 -0.714 50 20 IBGD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1O 1830720167 UQYBJSAIHKFMSR-UZLBHIALSA-N 442.896 -0.001 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc2nccn12 1830735311 GNZPJSUSFQRYAI-DNVCBOLYSA-N 437.884 -0.293 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@H](O)CCl 1833310823 UTQWOLITXQNGQY-GOSISDBHSA-N 437.733 -0.849 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833617519 KDUABYLXZSNNFR-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834003653 SCHQKRBDKLBHAT-NRFANRHFSA-N 425.250 -0.855 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccno3)CCO2)C1 1834151216 WLRVYVGOVZRTIX-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506013 KJAACHYSQDJMPD-FUHIMQAGSA-N 440.928 -0.338 50 20 IBGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)no1 1837549989 HUISFOUFLSTIQJ-KRWDZBQOSA-N 449.291 -0.027 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838252348 RZHAXZTVHIYSMQ-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838640757 UTQIBBFOOIBHMM-IUODEOHRSA-N 433.234 -0.470 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840230485 LLQXAGDRHXQMMN-HNAYVOBHSA-N 427.574 -0.180 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875455 MSTXLXVQXYYLFO-QVKFZJNVSA-N 447.492 -0.818 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)Cc2ccccn2)cc1[C@]1(C)NC(=O)NC1=O 729664634 SXLDXLGVTGOJFN-SFHVURJKSA-N 433.446 -0.303 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1nnc(O)c2ccccc12 742034411 IJCCQDPZGXWNCW-JTQLQIEISA-N 447.477 -0.186 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742676155 HNMSEZAZCJEFMJ-FPQZTECRSA-N 425.442 -0.996 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1C 750664785 KLTJUTIOMOHSND-UHFFFAOYSA-N 433.450 -0.641 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 755600917 XDZNVCZXVHTBRD-LBPRGKRZSA-N 442.498 -0.952 50 20 IBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 758535677 QFRGRIZFEONDTK-UHFFFAOYSA-N 446.331 -0.308 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1S(N)(=O)=O 763572710 NWTIYGCWVKQMRF-CQSZACIVSA-N 434.430 -0.432 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771848117 XREYAVIITHFHHP-OSMZGAPFSA-N 447.897 -0.047 50 20 IBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 773419230 MREMBTJQZJLMTJ-GFCCVEGCSA-N 437.453 -0.242 50 20 IBGD CNC(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1Br 806736873 LKWXSQYDGPMDAT-ZETCQYMHSA-N 436.288 -0.101 50 20 IBGD O=C(NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N[C@H]1CCS(=O)(=O)C1 919888082 ACHUZCSMKHKOOK-UBHSHLNASA-N 444.510 -0.514 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782785612 PCYJLYYLOHJFTC-GUYCJALGSA-N 428.829 -0.814 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1782918181 ZPJRFTBRIPKOKX-FQEVSTJZSA-N 445.476 -0.528 50 20 IBGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)Br)CCO3)c(=O)nc1O 1785352862 FFWGLWWBFPHRDZ-SJKOYZFVSA-N 443.298 -0.129 50 20 IBGD CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n[nH]1 1785839818 XXGNNKGKYRTCOF-QOKNQOGYSA-N 440.265 -0.801 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cscn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979761 FGHXCVCBGJCPGD-WBAXXEDZSA-N 429.307 -0.341 50 20 IBGD CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793373506 BFXAIJLJESPBME-HXQQXZKVSA-N 446.508 -0.375 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccc(O)c1)C2)c1ccc(B(O)O)cc1 1795736672 DIUUHOPKQUCKRJ-QMJJLMCDSA-N 436.273 -0.011 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797926819 NOKMJAAUGHZBHO-FLTUCWPJSA-N 446.508 -0.807 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1ccco1)C2 1798440445 RCYLQTHYMXBDME-BTTYYORXSA-N 440.460 -0.040 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362166 FAHPXZJYJXVXGY-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1834125871 XUHJULDYYSQAQP-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1835924103 NLOQTFYKARWABG-XIKOKIGWSA-N 438.872 -0.495 50 20 IBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1838124827 JFTDDYHWOCCBRH-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1840319174 UXNATQXRPHGVPI-MLGOLLRUSA-N 436.303 -0.170 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840878840 RPLBFPFYBCVTEN-JXFKEZNVSA-N 426.514 -0.758 50 20 IBGD COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015275 ZYHOOLCLRGHLBG-MSOLQXFVSA-N 426.278 -0.061 50 20 IBGD CC(=O)NC(C)(C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 726752820 QYFMWBXOQIDNSX-UHFFFAOYSA-N 440.522 -0.298 50 20 IBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OCCCC(=O)O 728510265 FROKIEKDLAUKKQ-LLVKDONJSA-N 437.496 -0.514 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 742035763 YPMNHCPGYMRYOR-NSHDSACASA-N 447.481 -0.859 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)N[C@@H]1CCOC1 752703283 HDQHPLYOFVTPOU-OAHLLOKOSA-N 426.495 -0.241 50 20 IBGD NC(=O)c1ccc(NNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nn1 757402724 OMBQQQGXHUEVTI-UHFFFAOYSA-N 429.462 -0.120 50 20 IBGD C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758033898 AFSCSKUHCXMZKF-QWHCGFSZSA-N 446.551 -0.052 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 758047309 LGASKYWMEQWRJX-GHMZBOCLSA-N 438.553 -0.705 50 20 IBGD COc1ccc([C@@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765728379 OMBSVAHRVSDCHB-LBPRGKRZSA-N 428.449 -0.217 50 20 IBGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(C#N)cc3)CC2)cn1C 765729028 UKPDWJKSXDXYNT-UHFFFAOYSA-N 431.478 -0.039 50 20 IBGD COC(=O)c1nscc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767852396 YVHXRRFRCWIGFT-UHFFFAOYSA-N 448.342 -0.082 50 20 IBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1OC(C)C 799258480 BAHJVKTUCVROGN-JTQLQIEISA-N 444.466 -0.716 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)ccc1Cl 915188817 WJZCXDUMVOUVHR-UHFFFAOYSA-N 435.853 -0.033 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 1319518705 NQEJRWURXJPWPP-CYBMUJFWSA-N 443.507 -0.282 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1781997243 MFIJPJLQOXCTMW-XWCIJXRUSA-N 445.314 -0.165 50 20 IBGD CC(C)c1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783933628 SGFOXBAIOCZMHJ-HXUWFJFHSA-N 436.513 -0.062 50 20 IBGD O=C(CCc1cnc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785221173 RMHJSXOLCZCREZ-SNRMKQJTSA-N 426.282 -0.684 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnn(C)c3)[C@H]2C1 1787013091 NFLWERVWLQBJCK-BZSNNMDCSA-N 434.541 -0.295 50 20 IBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)o1 1787028688 AMUBMKLYXSZNOO-RCBQFDQVSA-N 443.464 -0.787 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21 1788778567 RLIOZXDUUJAFLF-NZNQWUEYSA-N 434.331 -0.099 50 20 IBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)s1 1791289097 JXYFDXQTSQOZFS-KKUMJFAQSA-N 438.554 -0.258 50 20 IBGD CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)CC1 1795444268 KHYQIKWGMRGWJX-JLVBRIDZSA-N 431.375 -0.002 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ncccc13)C2)c1ccc(B(O)O)cc1 1795734483 QNOWVRWWCAQCMJ-CCWDJLKJSA-N 434.261 -0.240 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1cccc1 1797754014 JEMRYQKPEJCOGF-ZXFNITATSA-N 426.477 -0.049 50 20 IBGD CCNC(=S)NCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973371 IZNLPBGSOZLCCO-UHFFFAOYSA-N 446.382 -0.305 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831340156 BMHLQSRFUUCFLG-TZMCWYRMSA-N 445.307 -0.432 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114399 GBZYBXLMCQZWAH-DCGLDWPTSA-N 432.315 -0.248 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836315524 GLQBWRDLCWTVES-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)C1 1837455687 DLCLJMVWRXFFNV-JLHGSKIFSA-N 443.504 -0.199 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837459444 PCGCEYPFSFYUGN-UWJYYQICSA-N 445.476 -0.552 50 20 IBGD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CN1 1839197522 ZXRUUWDOZLHFKN-DETPVDSQSA-N 436.278 -0.341 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840152109 XLPKWWFOWJIYFQ-URLQWDBASA-N 426.901 -0.208 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840183962 KPDPVQCGNFSKNH-GOSISDBHSA-N 440.526 -0.832 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1844264545 GKGDQDBDJUDJOR-UHFFFAOYSA-N 425.405 -0.696 50 20 IBGD CCCn1nc(C(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2c1=O 14347672 ZAHQIPPVLSNFDE-UHFFFAOYSA-N 436.432 -0.289 50 20 IBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cn1 735582081 VTQOIMBXMIXNSL-OAHLLOKOSA-N 429.485 -0.340 50 20 IBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c[nH]1 743249788 OFHHOUFAEFXXGP-UHFFFAOYSA-N 444.491 -0.260 50 20 IBGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)[C@@H]2COCCO2)CC1 745615708 OMVHNEUTSBFVHB-AWEZNQCLSA-N 429.474 -0.751 50 20 IBGD COCCCN(C)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 745856626 HYCTZPPUWUHBND-UHFFFAOYSA-N 443.574 -0.388 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 764226378 HYOZXQBPAHAUGY-LURJTMIESA-N 428.801 -0.035 50 20 IBGD Cn1c(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cnc1Cl 765117169 BWDOJXQSLNLXJE-UHFFFAOYSA-N 440.913 -0.159 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C#N)c[nH]3)CC2)cc1 766636206 MVVRDRXXZXWFDX-UHFFFAOYSA-N 430.490 -0.038 50 20 IBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 780973829 HKKCNASIXJIXGR-LLVKDONJSA-N 445.498 -0.786 50 20 IBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c2ccccc2O1 785066462 BAFDLCGYLWBYBD-INIZCTEOSA-N 436.428 -0.436 50 20 IBGD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)CCCc1ccccc1)C2 786118485 WLALOECWWCXZDI-UHFFFAOYSA-N 429.481 -0.288 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 799857222 RCKWTVBBLKJXMB-NWDGAFQWSA-N 446.555 -0.358 50 20 IBGD CN1CCN(c2cc(CNC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccn2)CC1 916389953 JVSYZGBXQKTQBO-UHFFFAOYSA-N 436.480 -0.047 50 20 IBGD CC(C)n1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1780380734 JJSQIUBPLQIVSF-NRFANRHFSA-N 426.282 -0.099 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nn1C 1786984467 JORSDMMQBMYQTO-IEZWGBDMSA-N 426.282 -0.685 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911113 UWZUKPCDNQRFGN-XSWJXKHESA-N 440.368 -0.511 50 20 IBGD COCCOCCOCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1800849480 BJYTVSLRAHGGPP-YALNPMBYSA-N 440.896 -0.193 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cnnn2C)[C@@H]1c1cccnc1 1804745520 AEBHCQOZWQGAFE-BEFAXECRSA-N 428.497 -0.097 50 20 IBGD O=C1C[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CCN1 1809974112 QILLJJRMJQWDGW-QGZVFWFLSA-N 427.310 -0.263 50 20 IBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810295751 XDVMRVSLGHMHKG-IFXJQAMLSA-N 439.476 -0.464 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)CCC(N)=O)[C@@H]1c1cccnc1 1812632421 ZBMNFLSRAQFFIU-KUHUBIRLSA-N 439.476 -0.335 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1813070381 GTOPGAPTBLRFAU-GQIGUUNPSA-N 430.509 -0.261 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817249990 AKKUADDFJANAQI-GXTWGEPZSA-N 436.517 -0.632 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825199954 TWNFOWHBGJURBT-VHSXEESVSA-N 443.489 -0.497 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478748 ZKSDYJTULIWZQV-YVEFUNNKSA-N 444.282 -0.061 50 20 IBGD N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)c1 1835939287 KNSVWHFGPVDKOF-QHCPKHFHSA-N 449.272 -0.378 50 20 IBGD C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)O1 1837459465 QVNJDHPWTOLWNX-SOIKWTOOSA-N 447.492 -0.677 50 20 IBGD O=C(Cc1cc[nH]n1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921750 XSECXAGVVWXKBG-UHFFFAOYSA-N 440.309 -0.056 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840153672 XIWYCFUOSLLOLT-VKJFTORMSA-N 429.905 -0.376 50 20 IBGD C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1(F)F 1840826009 ZCIDMCMBDAEKDD-OALUTQOASA-N 438.236 -0.518 50 20 IBGD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C)NC(=O)NCc1ccccc1 1848280024 FABIGALZPLGDQX-IRXDYDNUSA-N 440.508 -0.023 50 20 IBGD NC(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 728334566 ZZRIZXJCZPNDGN-MRXNPFEDSA-N 429.385 -0.305 50 20 IBGD COc1ccc(CC(=O)NNC(=O)c2c[nH]nc2C)cc1S(=O)(=O)N1CCOCC1 731879832 WDSQATYTMXWWIF-UHFFFAOYSA-N 437.478 -0.249 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)c1 742032591 PLKMBZFJCLYPCF-UHFFFAOYSA-N 434.540 -0.194 50 20 IBGD NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 749328784 OUHYCYZCVOVWTM-UHFFFAOYSA-N 429.842 -0.422 50 20 IBGD Nc1nc(Cl)cc(NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 753681487 JXHYSCPVGGDWKD-UHFFFAOYSA-N 427.874 -0.047 50 20 IBGD CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 755268937 SPJYVGGPCHRGCU-KBPBESRZSA-N 425.530 -0.018 50 20 IBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccn(CC(=O)N2CCOCC2)n1 756660031 RHKDBJGPYRUQJF-UHFFFAOYSA-N 440.424 -0.816 50 20 IBGD O=C(NNC(=O)c1ccncc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763463449 FBJDNVYROPHLGH-KRWDZBQOSA-N 439.428 -0.504 50 20 IBGD Cc1ccc(-c2nc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)o1 765721943 PUMPPXLGTADTSF-UHFFFAOYSA-N 443.445 -0.080 50 20 IBGD COc1ccc2[nH]cc(CC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 765729678 XNTTXNFQHPAGFD-UHFFFAOYSA-N 439.432 -0.686 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CSCC#N)CC2)cc1 766636493 OYOZUUYFCDQLQV-UHFFFAOYSA-N 425.536 -0.295 50 20 IBGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)NCC(=O)OC)c1 779846638 MOGGSFUOEVPKKT-WAYWQWQTSA-N 431.423 -0.445 50 20 IBGD CNC(=O)CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 789902305 PUSVKDQOEWMOAQ-ZDUSSCGKSA-N 442.494 -0.764 50 20 IBGD CCCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)c2ccccc2c1=O 793030339 ZPVPVFOSVMHXCJ-UHFFFAOYSA-N 432.462 -0.133 50 20 IBGD CN(C)S(=O)(=O)n1ccnc1C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 814746855 NTTAWANXJPQYBY-UHFFFAOYSA-N 434.887 -0.398 50 20 IBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 915164917 TUMZPSRAUVMBRY-ZDUSSCGKSA-N 437.565 -0.088 50 20 IBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 918551749 GRBRDZYZDSSJIC-AWEZNQCLSA-N 446.551 -0.240 50 20 IBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@@H](C)O1 1322714478 QXDBIIKJWNMPBB-ZIAGYGMSSA-N 431.501 -0.618 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1783935427 SHPHGRQTLUALIH-IBGZPJMESA-N 447.521 -0.097 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792871427 YGLZNHMUEROQBJ-DIACKHNESA-N 436.303 -0.329 50 20 IBGD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1802034990 FFFHOAJGFGLSGF-DACLVMHWSA-N 446.508 -0.807 50 20 IBGD Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807799095 DPHIDBWGJHXAQY-LPHOPBHVSA-N 434.265 -0.179 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CN1 1817475095 KUAIYCJEBWRKHG-WMLDXEAASA-N 439.281 -0.078 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1819793115 KTSUBSCVVUPXIM-PRHODGIISA-N 438.897 -0.033 50 20 IBGD CN(C)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724026 CHCKTSMFHPODEL-APWZRJJASA-N 426.901 -0.183 50 20 IBGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725416 OHPLQSGOVRZVEP-RDTXWAMCSA-N 428.873 -0.455 50 20 IBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1830733580 PVCFCLOGPJNBRB-NLDJYOPPSA-N 443.928 -0.557 50 20 IBGD COCC1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1834800204 YVGXKFUSIAMFTL-UHFFFAOYSA-N 443.353 -0.022 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1835931406 RBPVUXFJJOXOLM-HTAPYJJXSA-N 428.294 -0.207 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835935376 PQQICQNPEZNMMJ-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837468073 ZGXZKIKVTJPEOF-GUYCJALGSA-N 436.962 -0.819 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840184995 INOGQWHDOXRPOA-FQEVSTJZSA-N 435.481 -0.770 50 20 IBGD O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308302 WVLAKYWTMIKUJR-MRVPVSSYSA-N 444.318 -0.146 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2OC)c2ccccc2O1 763647826 QVOTZASUZYJCQQ-QGZVFWFLSA-N 442.428 -0.238 50 20 IBGD Cc1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2F)c1 764231748 PUQLUOFEUUFXRQ-SNVBAGLBSA-N 426.430 -0.657 50 20 IBGD CNC(=O)CCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 780198071 LXGPTMRBRYAFMI-UHFFFAOYSA-N 440.522 -0.296 50 20 IBGD Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c1 790686026 OTSBUOCDNIQOER-LJQANCHMSA-N 432.389 -0.180 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc(N2CCN(C(C)C)CC2)c1 792280015 DXMBBMBYHZXDJX-UHFFFAOYSA-N 430.509 -0.110 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)ccc1F 806974542 MOCCXMPAVSEEAT-UHFFFAOYSA-N 449.420 -0.230 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 812730010 YAFXTZLOHFVYLD-UHFFFAOYSA-N 434.478 -0.417 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2CCCC2=O)cc1 920825272 IYWXLCFBDMDFCL-UHFFFAOYSA-N 425.467 -0.965 50 20 IBGD Cc1nc[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1778255718 IQHCJHQQTXRZDN-DYESRHJHSA-N 426.282 -0.161 50 20 IBGD Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Br)C3)C2)c(=O)nc1O 1783536419 DSVMZLORVWLUDM-SJCJKPOMSA-N 443.298 -0.129 50 20 IBGD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1794555263 PQZZKGYWOVJBFE-XOIINTDNSA-N 425.449 -0.699 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2)c1ccc(B(O)O)cc1 1795734084 AYJUQRDBTPHXJP-CCWDJLKJSA-N 436.233 -0.580 50 20 IBGD COCCOCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806756610 PMWSKAQGLUOCTC-WIYYLYMNSA-N 441.293 -0.256 50 20 IBGD Cn1cnc(C(=O)N2CC[C@H](CNC(=O)c3cnccc3C(=O)NN)[C@@H]2c2cccnc2)n1 1810299477 QSRISIPYRWROFU-PBHICJAKSA-N 449.475 -0.158 50 20 IBGD CC[C@@H](C)[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801148 RLBKDIMHXQOFGG-IERDGZPVSA-N 444.385 -0.075 50 20 IBGD Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931410 RCTJCDXWJKAVRK-FQEVSTJZSA-N 429.238 -0.953 50 20 IBGD Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)s1 1835936878 HDOPYGUGPPOBJL-FQEVSTJZSA-N 445.306 -0.485 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1837711655 MUZDWPKUUOGMCO-IBGZPJMESA-N 427.574 -0.083 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1837715871 OXEYZCJSPGUDER-CRAIPNDOSA-N 448.614 -0.129 50 20 IBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839149514 JKDSNSDBSNWPAE-IFXJQAMLSA-N 442.900 -0.269 50 20 IBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202946 USRRIZZGXZUFMZ-SMDDNHRTSA-N 426.239 -0.511 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840030544 PADCRHSFFQBKPG-OGHNNQOOSA-N 432.315 -0.248 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840474152 JPYZBNOWPVZWRO-XJKCOSOUSA-N 445.318 -0.279 50 20 IBGD C/C=C\C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 737789491 XKWMRDVGLSIQQZ-CLTKARDFSA-N 440.460 -0.222 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 746094863 GUOFFWQLUPGLHI-UHFFFAOYSA-N 434.478 -0.170 50 20 IBGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)ccc2O1 751547650 JHYNUZDIIHHOFX-HNNXBMFYSA-N 437.430 -0.114 50 20 IBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 756035065 DBOKNDFHYATBOS-LBPRGKRZSA-N 425.467 -0.288 50 20 IBGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 756948923 BJVMOJLIFYKDIY-IJLUTSLNSA-N 429.499 -0.749 50 20 IBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763009446 MFYTXBTVEGPEJA-GFCCVEGCSA-N 444.473 -0.130 50 20 IBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 763559141 YRDFMPWYLXNFHB-UHFFFAOYSA-N 445.448 -0.143 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1C 763575191 QZZVFAMTNAXRNW-HNNXBMFYSA-N 448.457 -0.171 50 20 IBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COc2ccccc2O)c2ccccc2O1 764277614 KWXBCCBXQSYBHB-MRXNPFEDSA-N 429.385 -0.114 50 20 IBGD COc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729703 YVTWWUQWIHWQCP-UHFFFAOYSA-N 444.448 -0.551 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc2sccn2c1=O 765732981 KXGMSBSRZPKJDO-UHFFFAOYSA-N 440.485 -0.025 50 20 IBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 766275924 MDRUEYJHXDBQGS-GJZGRUSLSA-N 439.542 -0.442 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F 779833117 XPPDFRMXSZIUCN-BYPYZUCNSA-N 435.814 -0.436 50 20 IBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 792017003 FBYCGDCYJYBZBD-LJQANCHMSA-N 436.490 -0.381 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2nc3ccccn3c2=O)cc1 890566307 KOQCOCOZFHXTFY-UHFFFAOYSA-N 432.462 -0.727 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1779034055 KNWKSMBHQKLOLD-XFMWISLNSA-N 431.493 -0.320 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1782170706 UBICBSCWOPFVPG-XJKCOSOUSA-N 441.849 -0.521 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1783933536 POTHSRXNXBZIQT-OAQYLSRUSA-N 437.541 -0.408 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784108907 DIGFJIMZQKWSQS-PXAZEXFGSA-N 428.283 -0.228 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784309284 WWOHRIOKKUDSAD-IUINOXSKSA-N 425.449 -0.435 50 20 IBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790652120 ANCXHKYPILZNON-VIRABCJISA-N 442.856 -0.664 50 20 IBGD Cc1cnn([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795736803 HGDZHOBSVAMDOA-RMRDIRSESA-N 426.282 -0.664 50 20 IBGD C[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737373 XLLCMOKUFXCQBT-RMRDIRSESA-N 426.282 -0.898 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cncn3c1)C2)c1cccc(B(O)O)c1 1795738742 DJLRAQZTNHIKQG-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD Cc1cn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cnc2s1 1797062423 IROWJJVLXYLLOG-ZMJPVWNMSA-N 440.909 -0.133 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2 1797754492 ZGXWTBFYQLYDKQ-CCWDJLKJSA-N 441.492 -0.435 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807359617 BFFNXJYPBBXUQE-UZLBHIALSA-N 447.260 -0.522 50 20 IBGD O=C(Cn1ccnn1)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807676151 FISWHVQRBJFNSM-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)n1cncn1 1813399758 GMTYHEVSHWOKHH-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347995 AOLYEBXCFDYZQM-QMTHXVAHSA-N 430.295 -0.427 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731227 ICVUNDCPYDFNPD-JXFKEZNVSA-N 449.895 -0.063 50 20 IBGD CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CCC1=O 1834819507 QBYIHECYRPBQDL-KRWDZBQOSA-N 445.314 -0.164 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716576 CNHWYLPRXITZDR-GOSISDBHSA-N 438.717 -0.422 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836973558 VXNRCEMONBIWIO-LIRRHRJNSA-N 442.900 -0.011 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840284456 LZKZLGHFYGBFSK-INIZCTEOSA-N 432.616 -0.732 50 20 IBGD O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16785978 ODEKOTRXXXZOKZ-LLVKDONJSA-N 428.492 -0.913 50 20 IBGD O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372269 LLAPZVAGCAZJEF-HNNXBMFYSA-N 443.547 -0.014 50 20 IBGD CCCn1nc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)c2ccccc2c1=O 728457360 GGVMWJIBYOFQDP-MRXNPFEDSA-N 442.476 -0.305 50 20 IBGD C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729275553 PSSWFJQKORPMJX-QWHCGFSZSA-N 446.551 -0.052 50 20 IBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)CSc2ccc(Cl)cc2)c[nH]1 746093537 JEKPOSGDEQVCOE-UHFFFAOYSA-N 445.910 -0.015 50 20 IBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 753786915 WXDUNEAMOAFFDS-QGZVFWFLSA-N 437.522 -0.308 50 20 IBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNC(=O)CNC(=O)c1ccco1 755224085 XRQANZJKPHATPX-GFCCVEGCSA-N 437.453 -0.328 50 20 IBGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763569673 AEJMYXNETKUUIJ-INIZCTEOSA-N 428.401 -0.133 50 20 IBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1C(=O)OC 763880565 HRHHSVBECZKHAL-UHFFFAOYSA-N 431.405 -0.141 50 20 IBGD Cc1c(C(=O)O)oc2c1C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CCC2 764819068 ZDPRJJTYBLXQPZ-UHFFFAOYSA-N 428.405 -0.110 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCOc2ccccc2F)n(C)c1=O 765725971 XANODINENPIGCN-UHFFFAOYSA-N 432.412 -0.421 50 20 IBGD Cc1nc(-c2ccco2)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729724 ZTXLUDLDCKXLIL-UHFFFAOYSA-N 437.416 -0.142 50 20 IBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 779845577 QSINDQVVQJGZIC-UHFFFAOYSA-N 434.496 -0.473 50 20 IBGD Cc1nnnn1-c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 784005302 UWEBIFAOULBJHG-UHFFFAOYSA-N 446.424 -0.313 50 20 IBGD COCCn1cnc2c1c(=O)n(CC(=O)NNc1nc[nH]n1)c(=O)n2Cc1ccccc1 816633810 NNUAZANRLOOITF-UHFFFAOYSA-N 439.436 -0.684 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 825615232 NMCYNSHWLHTDCO-LBPRGKRZSA-N 437.478 -0.580 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1780949328 ZJMCTBWDZNNBQW-QFIPXVFZSA-N 449.276 -0.905 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781342360 DZCDONXVCYFGFG-QGZVFWFLSA-N 437.099 -0.263 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1783934104 YBXKWJBRFTYTEH-UWJYYQICSA-N 432.525 -0.326 50 20 IBGD CCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984494 MXPFVMOLTUYWAQ-FNHZYXHNSA-N 427.266 -0.176 50 20 IBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611738 XJPLSGCWOHQMBO-JQFCIGGWSA-N 446.508 -0.807 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1[C@@H]2C=CS[C@@H]12 1790625690 ZJSOVAHGXFNHLN-UGRKVPRCSA-N 428.319 -0.165 50 20 IBGD C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793351415 VBPXFCUDTRDGGN-CCWDJLKJSA-N 431.493 -0.129 50 20 IBGD Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793881728 AVDFMWDHJLRWOY-CWPLJXCYSA-N 427.266 -0.583 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC1CCCCC1)C2)c1ccc(B(O)O)cc1 1795732964 VNAIPQMILNQXMM-UPHUGPLXSA-N 430.310 -0.081 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccn1)C2)c1ccc(B(O)O)cc1 1795734531 QUAWQUUJOWVHJN-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798466551 MCVAMPOWDKBFSK-AYRXBEOTSA-N 437.884 -0.212 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc2ccnn12 1799902763 WPPUXVPMEFBKDX-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2)C(Cl)Cl 1801016061 ZOUWFSDOUTVVEV-PTEHBNRSSA-N 428.338 -0.890 50 20 IBGD N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362715 HOVUQPYUDZZTLQ-MAUKXSAKSA-N 441.322 -0.292 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)CN1 1807373024 MBPVJOZKEHQMSE-ZWOKBUDYSA-N 436.277 -0.783 50 20 IBGD Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1833908670 PRBZRXCPCUMIHE-OAQYLSRUSA-N 442.476 -0.593 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016433 FOBYHQLHRZDMJO-OAQYLSRUSA-N 425.250 -0.855 50 20 IBGD Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929635 ZQEHPWLIEVMEQS-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456477 NHAZKMAMWVEOLZ-AVBTWRTFSA-N 449.508 -0.838 50 20 IBGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)CN(C)C)CC1 727761576 PRUVQAYYTXJZTF-UHFFFAOYSA-N 426.495 -0.417 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 731963759 FXKDIWSFSRECNW-ZJUUUORDSA-N 430.464 -0.157 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@H](C)O1 741284043 KQYWLINMZLBWQP-GJZGRUSLSA-N 441.529 -0.288 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1 744621444 SASWLDPUYVHTJJ-UHFFFAOYSA-N 434.405 -0.020 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 758043045 DKCINMPZGVRNRC-VIFPVBQESA-N 447.520 -0.357 50 20 IBGD Cc1nn(C)c(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)c1C#N 788092791 RORDZLCRIXFDEC-UHFFFAOYSA-N 435.452 -0.248 50 20 IBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1 802066798 ZSEADPREBFHHDE-UHFFFAOYSA-N 432.462 -0.112 50 20 IBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 912852507 XGMYKMUAZZWLIF-LWWSYDQCSA-N 431.474 -0.452 50 20 IBGD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781348709 HFXHVZUGSCYSBF-PJIJBLCYSA-N 449.932 -0.308 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1782212165 LBMJZRCZZGTBJH-OXQOHEQNSA-N 437.497 -0.333 50 20 IBGD Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361029 DTKLOKGPERCXQT-SJLPKXTDSA-N 434.265 -0.477 50 20 IBGD CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812659177 RBOHCNNUSANEPY-WIYYLYMNSA-N 438.293 -0.393 50 20 IBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1cc(=O)n2[nH]cnc2n1 1815323931 QHJLMYHXFKBVMV-XVKPBYJWSA-N 437.869 -0.300 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2)c1ccc(B(O)O)cc1 1815343958 YWPCLZDGUXMSAJ-GFCCVEGCSA-N 439.262 -0.554 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2)c1cc[n+]([O-])cc1 1821047988 TUVSXZDCSMGQIL-OAHLLOKOSA-N 438.274 -0.004 50 20 IBGD O=C(COc1ccc(O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830338090 FQEHFPPTCSPBJW-LPHOPBHVSA-N 428.869 -0.173 50 20 IBGD CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1830518647 IAPCJQVMZPETHA-IJTBFJJCSA-N 435.481 -0.652 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831593741 PKCQPFSADQBBAO-MHJFOBGBSA-N 426.489 -0.292 50 20 IBGD CC[C@H](NC)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797973 RJLHCCQYQMCVPD-FQEVSTJZSA-N 430.358 -0.450 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798968 JDYPVRZVUWSRJD-OAHLLOKOSA-N 444.341 -0.924 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557358 HHPIVQWTNLNZPC-DCGLDWPTSA-N 449.346 -0.933 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1835935303 NNRHXKFWPBYDMC-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)C(=O)O 1839152332 WOZGZFSQAGETIA-CSMYWGQOSA-N 440.324 -0.258 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1840183594 NWHOWKIZXIUHOC-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD CC(C)n1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1C(=O)O 1843010751 YYFOPKQULGLBRJ-UHFFFAOYSA-N 440.265 -0.027 50 20 IBGD O=C1Nc2c(cccc2C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1=O 1844126427 TXSIJEMJSKKCCD-UHFFFAOYSA-N 433.229 -0.368 50 20 IBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OC 16786191 CTVZYQSHIWZKKK-ZDUSSCGKSA-N 447.535 -0.079 50 20 IBGD Cn1nc(C(=O)NNC(=O)CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 19596791 SAHXDXGTPFJUJL-UHFFFAOYSA-N 429.458 -0.025 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 744653599 YWQGFGMQKDUUIU-JSGCOSHPSA-N 439.446 -0.814 50 20 IBGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NNC(=O)Cc3ccncc3)ncnc1-2 747580197 FXFJMPDEGNBUKP-UHFFFAOYSA-N 448.285 -0.121 50 20 IBGD COCC(=O)N(C)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 759604882 GXFCIOCHBLZKSY-UHFFFAOYSA-N 425.917 -0.290 50 20 IBGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 768562994 VYQPHFLGAWFMIQ-APPDUMDISA-N 429.499 -0.605 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 873819655 DPMKEBLESKGTEO-GJZGRUSLSA-N 436.490 -0.127 50 20 IBGD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)CN1CCCC1=O 920432602 CVISCFIXSLPEOO-SNVBAGLBSA-N 427.439 -0.191 50 20 IBGD C[C@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(B(O)O)cc5)CCO4)C3)n[nH]c21 1777852089 XFOBULZZXBQQKS-FPTDNZKUSA-N 438.293 -0.104 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783533088 QNHPJAVHDRPZCV-SJKOYZFVSA-N 425.088 -0.407 50 20 IBGD Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1785369264 FETWHXVKMZHMAI-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD CCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984452 HVBSFKIAEHUDTK-IEZWGBDMSA-N 426.282 -0.510 50 20 IBGD CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)no1 1794003955 KHGPWCFSWGKJEC-HBCWATKFSA-N 436.513 -0.302 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2ccccc12 1796840687 SFFJGMWVPGGXHB-CWPLJXCYSA-N 434.261 -0.469 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810358945 JVHZCVZDLVZANF-AXVVYFOYSA-N 440.928 -0.008 50 20 IBGD O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1812640424 FAAMAEQONZIOLG-FUHIMQAGSA-N 436.277 -0.783 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1 1817002028 RLMOARBHOABSGJ-YGRLFVJLSA-N 427.490 -0.105 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830362388 UVVVROWHUQMFDU-SCLBCKFNSA-N 435.905 -0.228 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccn1)CCO2 1833191195 XZNPWMVOVCNMFQ-QFIPXVFZSA-N 447.536 -0.156 50 20 IBGD O=C(Cc1cscn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836040625 XDLGMMBIBKQCNF-FQEVSTJZSA-N 445.306 -0.864 50 20 IBGD C[C@@H](CN)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837831885 LGJCCVIGIZAMSN-AWEZNQCLSA-N 432.525 -0.108 50 20 IBGD O=C(c1cc(O)ncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199332 UMUVHRAYPRSBSA-DOMZBBRYSA-N 433.234 -0.057 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839652059 YVEIONYTGDEQFK-DNVCBOLYSA-N 442.900 -0.175 50 20 IBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840446683 HZJDRXFMNZDAOZ-MRXNPFEDSA-N 430.303 -0.090 50 20 IBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 731760349 FNQREDGCWPAYGK-UHFFFAOYSA-N 447.539 -0.646 50 20 IBGD C[C@H](CS(C)(=O)=O)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 733663060 SINXDUBOYTYCDM-GFCCVEGCSA-N 434.544 -0.923 50 20 IBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C(=O)N1c1cnn(C)c1 743510044 PAEIUIDNPFYPID-YPMHNXCESA-N 448.509 -0.149 50 20 IBGD CCOc1ccc(C#N)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756213593 YMESLLZPSIXQPW-UHFFFAOYSA-N 440.420 -0.443 50 20 IBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c2ccccc2O1 763893216 PTROGYFKQBLTOG-QGZVFWFLSA-N 442.476 -0.032 50 20 IBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1ccc(Br)cc1Cl)S(N)(=O)=O 764058599 SDOJWEKHGLYHTN-LURJTMIESA-N 441.691 -0.343 50 20 IBGD Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729806 HAHBFZSSHFRJEE-UHFFFAOYSA-N 443.445 -0.080 50 20 IBGD NS(=O)(=O)c1ccsc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 774799497 FACZTPOQGUJFRB-NSHDSACASA-N 441.443 -0.460 50 20 IBGD C[C@]1(NNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCS(=O)(=O)C1 783427384 SFTZIGWVRYNZJJ-INIZCTEOSA-N 428.423 -0.107 50 20 IBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 814482142 MDWJUXTWDHMGTB-CYBMUJFWSA-N 449.493 -0.286 50 20 IBGD O=C(COC(=O)C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 815282799 NRBGUSZISVBKNQ-WFASDCNBSA-N 426.447 -0.268 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1787506859 RCBRFMPYPRDRHY-RGQKXNEFSA-N 446.508 -0.388 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)cnc1O 1792389589 QOVVAMRVWGLRME-FVCICTRLSA-N 445.668 -0.363 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3[nH]ncc13)C2)c1ccc(B(O)O)cc1 1795734319 DPOZIGSLRUFYQJ-YVWYUNDQSA-N 434.261 -0.240 50 20 IBGD CC(C)n1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797753031 QSUTVEQYOOUDEK-ZSBFGKGUSA-N 441.492 -0.021 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C2 1798442991 LGQPEQATVYIXHE-ZWUHOBOKSA-N 435.506 -0.486 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)n1cncn1 1807374601 LOOXSYQDXIRBHJ-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CCN1 1817479060 GVKDLYKVMWXJRT-PBHICJAKSA-N 439.281 -0.078 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)N1 1826662098 NKRBXXLEVNZYOO-MOPGFXCFSA-N 427.310 -0.122 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)CC1 1829713977 VYEYXPFFUDCYKC-LJQANCHMSA-N 438.293 -0.003 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830539482 HKTVGSCWDUUVKI-MEDUHNTESA-N 431.287 -0.650 50 20 IBGD O=C(O)c1cnncc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833311914 FJIWTDZASCMPCT-MRXNPFEDSA-N 439.900 -0.040 50 20 IBGD Cc1[nH]ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457895 VDFFGLYWGHEBPA-OAQYLSRUSA-N 442.476 -0.295 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1C 1840184399 JYAICBSYGVKECK-NRFANRHFSA-N 435.525 -0.223 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 9930773 YOWKVPITCPRTAO-STQMWFEESA-N 435.458 -0.343 50 20 IBGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 14290971 YAXVBJTUKIRJFS-QGZVFWFLSA-N 443.460 -0.165 50 20 IBGD COc1ccc(CCN2C[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)cc1OC 748247350 YTLJNOFWPVLQPY-OAHLLOKOSA-N 432.477 -0.135 50 20 IBGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CCC3)c2)CC1 764334668 IHCCQKRVCLNLMY-UHFFFAOYSA-N 437.522 -0.101 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(=O)Nc2cccc3ccccc23)n(C)c1=O 764378829 OIPWRNRUCMEJNG-UHFFFAOYSA-N 449.427 -0.627 50 20 IBGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)C(=O)NC2CC2)c2ccccc2O1 782965984 KFOAKXRVBNTENX-INIZCTEOSA-N 445.476 -0.489 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCc3c(O)cccc32)n(C)c1=O 789814568 UJMSTWIMRSCVEG-ZDUSSCGKSA-N 426.433 -0.593 50 20 IBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(-c2ccccc2)[nH]n1 914462790 XDLSYHQPJYQIHZ-KGLIPLIRSA-N 431.474 -0.127 50 20 IBGD CC(=O)N1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 1317899901 YMLIKYTXKSPXAO-UHFFFAOYSA-N 439.542 -0.345 50 20 IBGD O=C(CC12CCCN1CCC2)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1781133709 SVRREZPHBQBUSW-HSZRJFAPSA-N 441.337 -0.172 50 20 IBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c1 1784086840 PINCIZWHXILEIC-DDWPSWQVSA-N 445.925 -0.322 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cn[nH]c3)[C@H]2C1 1785277305 CPKLRQLIRWMUIZ-WBAXXEDZSA-N 441.492 -0.366 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cn[nH]c4cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984176 OGAXWNSEGYFTLT-VHFSOBRXSA-N 449.276 -0.455 50 20 IBGD CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1787667714 DNHZGLXTPWVWPB-SZMVWBNQSA-N 441.297 -0.554 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C[C@@H]21 1788610778 ACXBPCYBGAVQHM-DACLVMHWSA-N 431.493 -0.295 50 20 IBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1791251926 YYUMSMJAHHGLJC-FJIDUMEYSA-N 430.977 -0.143 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793526419 RALOWAXPXYEYKI-ZSBFGKGUSA-N 441.492 -0.448 50 20 IBGD O=C(Cc1noc2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795763347 BJIPGAXNGOGTAX-MFKICJERSA-N 449.272 -0.047 50 20 IBGD Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1795821953 OZAYREFSGSASRM-DPIQGUFMSA-N 445.505 -0.709 50 20 IBGD O=C(CCn1ccnn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1813431511 QMJISIYNZNUQQX-GHTZIAJQSA-N 448.292 -0.237 50 20 IBGD C[C@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403836 IIDJROOYKXSBCD-NHYWBVRUSA-N 428.453 -0.151 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823117022 VHIJYXVJSICGRH-SNVBAGLBSA-N 441.477 -0.341 50 20 IBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830719556 FWGQPHKMGLLMRT-KSMMKXTCSA-N 449.932 -0.044 50 20 IBGD CC[C@@H](NC)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797974 RJLHCCQYQMCVPD-HXUWFJFHSA-N 430.358 -0.450 50 20 IBGD C/C(=C/C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1)C(=O)O 1834801440 JNOWTDFXWOOEOF-SQFISAMPSA-N 443.309 -0.418 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835566062 UDIHURJUTQNXAM-AFAVFJNCSA-N 439.340 -0.728 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 1835737379 MZEGLLKPQNRTFS-HNNXBMFYSA-N 444.536 -0.093 50 20 IBGD C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927621 VGNFHGLWOCNWQJ-QFIPXVFZSA-N 446.309 -0.581 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1837919495 YKDOBZCPGRFWFQ-UHFFFAOYSA-N 427.270 -0.590 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839349341 POFKCFCRZUCLGM-KXBFYZLASA-N 425.869 -0.545 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840863101 NNKDKYSTEUKSDX-UTKZUKDTSA-N 448.350 -0.420 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 740852177 OPKMJYDZEJOOQJ-UHFFFAOYSA-N 428.511 -0.014 50 20 IBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 746094542 ZBIZAOZKKYSEEF-UHFFFAOYSA-N 434.540 -0.565 50 20 IBGD O=C(COC(=O)c1ccccc1NC(=O)Cn1cnnn1)NNC(=O)c1cccs1 749277525 FHTRXSWLSWXKKC-UHFFFAOYSA-N 429.418 -0.009 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C(C#N)=C/c2ccc(F)cc2)n(C)c1=O 752580216 XVZIWJGMWXADIN-KPKJPENVSA-N 425.380 -0.673 50 20 IBGD COC(=O)c1ccc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 757186799 HLAFVYRGCOHUNY-UHFFFAOYSA-N 430.421 -0.238 50 20 IBGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c2ccccc2O1 764435390 UVGSPFWFVJXNLQ-IRXDYDNUSA-N 448.476 -0.352 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2cn(C)c3ccccc23)n(C)c1=O 765724527 KZBMORQTMDRXGQ-UHFFFAOYSA-N 437.460 -0.294 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(-c3ccncc3)s2)n(C)c1=O 765731906 STILBSGYLXYXGS-UHFFFAOYSA-N 440.445 -0.587 50 20 IBGD Cn1cc([C@@H]2[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 797710920 ARQQZVIEBQHXGX-GZBFAFLISA-N 440.526 -0.374 50 20 IBGD CN(C)S(=O)(=O)C[C@@H](NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(F)(F)F 805769210 MIZSENPYRMMPFU-NWDGAFQWSA-N 440.400 -0.021 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 810346123 DBWHUEQOUQNYSL-QMMMGPOBSA-N 446.429 -0.931 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032039 KXDRETVAOTYBCI-FQEVSTJZSA-N 427.465 -0.218 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331875 RJKKRSLTBBJSKT-XHDPSFHLSA-N 430.234 -0.291 50 20 IBGD CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1F 1785792916 YSJXJEONWLFSDA-QRTARXTBSA-N 444.272 -0.302 50 20 IBGD Cc1ncoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786151546 QDJABIXMJUNXDD-RCBQFDQVSA-N 428.449 -0.111 50 20 IBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288012 NIDZNXPAVCWLTR-JYJNAYRXSA-N 425.530 -0.746 50 20 IBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794974698 WZBQESBIRUYAHP-FVCICTRLSA-N 435.557 -0.319 50 20 IBGD C[C@@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)n[nH]c21 1795734605 UOTAOZWVXOVMNJ-NFWAQSGPSA-N 438.293 -0.344 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797970335 IBMPFCMAXTVFFX-ZQNQSHIBSA-N 434.331 -0.099 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccccc13)C2 1801011144 HSUTZUGTKSITHG-YVWYUNDQSA-N 428.493 -0.090 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1813070501 IBWVVPMSIOCENE-HNAYVOBHSA-N 429.485 -0.853 50 20 IBGD CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471257 IYLCRCJBNYNPQQ-OAHLLOKOSA-N 434.283 -0.560 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOC1=O)CC2 1826083844 SYLZUADOBCZKOF-LLVKDONJSA-N 438.510 -0.120 50 20 IBGD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CN1 1829957099 YUFFRXBEFCJYDJ-GHJWDPDVSA-N 436.278 -0.341 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830538821 RACQOXAMFLIIEJ-SWLSCSKDSA-N 431.291 -0.840 50 20 IBGD O=C(NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccc[nH]1 1830725050 DBMDKGPYUYUIGC-DNVCBOLYSA-N 442.900 -0.809 50 20 IBGD Cc1cc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1837558687 WYBPMZXPMLRQQT-KOXUSJRISA-N 449.508 -0.174 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839143613 BTWWCYZBLKCUMW-XIKOKIGWSA-N 438.872 -0.495 50 20 IBGD O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)[C@H](O)CCl)C3)n2)CCCN1 1841349696 HSHNSGNQODHBFS-OAHLLOKOSA-N 435.912 -0.175 50 20 IBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 23080803 KDPWVJJHCYYRIO-XHDPSFHLSA-N 436.446 -0.861 50 20 IBGD COCC(=O)N[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(C)C 741287180 OTVOXQZNQDVAMI-INIZCTEOSA-N 442.542 -0.752 50 20 IBGD COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758038720 GFGBZUFAGMJMLP-GFCCVEGCSA-N 425.467 -0.404 50 20 IBGD CC1(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)OCCO1 760155816 JAGVPWFDAJZEHA-UHFFFAOYSA-N 442.494 -0.195 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 765125502 GKBNFRTXKWZYNA-UHFFFAOYSA-N 448.549 -0.440 50 20 IBGD CSCCNC(=S)NNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 769768212 HXDMRMRKKZVGLT-UHFFFAOYSA-N 436.541 -0.098 50 20 IBGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)nn1 790654201 BAWDYSPNLKJCRR-UHFFFAOYSA-N 438.470 -0.690 50 20 IBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 799519279 FTENOERXAQZIJR-ZDUSSCGKSA-N 427.460 -0.256 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 913429688 SMQRWFAEZHCTKW-ZDUSSCGKSA-N 437.478 -0.580 50 20 IBGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 919885357 LEDRICPTYKQPBD-JTQLQIEISA-N 436.487 -0.357 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)nc1 1780127915 DYLJOZADESTYCI-XMSQKQJNSA-N 439.277 -0.092 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1781998086 SHHIWLLBZBTGAQ-JSSFPYSZSA-N 448.358 -0.066 50 20 IBGD O=C(Cc1cccc(F)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795236107 RMHZSLBBRGBMAB-UPHUGPLXSA-N 426.253 -0.049 50 20 IBGD CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)no1 1795732963 SQNDDLRZAWEKSM-CCWDJLKJSA-N 442.281 -0.681 50 20 IBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736651 BQQDQUUROIANHH-XRGAULLZSA-N 439.115 -0.257 50 20 IBGD C[C@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737146 XFADPNCHIKJBOS-LAVAIGHBSA-N 437.305 -0.157 50 20 IBGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738727 CXKZJWXMEGCOKI-ALXJQNPVSA-N 449.276 -0.765 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802327400 QOPRJFOLGRMZOY-TXTZDMIGSA-N 433.465 -0.447 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365038 WHHWAQKTYUIEPK-UZLBHIALSA-N 447.260 -0.110 50 20 IBGD O=C1CCCN1CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809555182 GEVOBYURAFVXHX-UHFFFAOYSA-N 427.310 -0.166 50 20 IBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1)n1cnnn1 1815347546 COJRLVRXADCNAV-MFKMUULPSA-N 441.282 -0.704 50 20 IBGD O=C1NCc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1830731131 IBBDELBDMHOEAP-OXQOHEQNSA-N 437.880 -0.400 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)C1 1835933981 JICFPLFDDMJFSE-CNNODRBYSA-N 428.294 -0.518 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132202 OCZBJNXOSKNDBM-CJNGLKHVSA-N 430.303 -0.235 50 20 IBGD Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NCC2CCC2)c2ccccc2c1=O 731761110 SIIRRKHOFPPLNR-UHFFFAOYSA-N 436.494 -0.403 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc3c(cc2Cl)OCO3)n(C)c1=O 755573544 RLOTYSSPJLSYRQ-UHFFFAOYSA-N 449.811 -0.331 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 756777313 HURLCQDHGTWTKL-MRVPVSSYSA-N 426.434 -0.231 50 20 IBGD CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n1 763596740 ZGUVEQVNEPTNEI-UHFFFAOYSA-N 445.480 -0.171 50 20 IBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 763714286 SCOZLIRTBHYZBD-UHFFFAOYSA-N 441.444 -0.371 50 20 IBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc(C)c1CC 764231895 QPLWUVVBONVMMY-QMMMGPOBSA-N 448.523 -0.181 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 779520764 RIDWVDFWTMQQDM-SWLSCSKDSA-N 428.511 -0.525 50 20 IBGD CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)Cn3nc(C)cc3C)c2)CC1 782121063 QSKUATPYRDNHFA-UHFFFAOYSA-N 441.492 -0.045 50 20 IBGD CCCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 808088560 IYVYZOIJBLLGIV-JTQLQIEISA-N 427.526 -0.883 50 20 IBGD Cc1cccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 906288675 FVAJKTBBBRCUGY-UHFFFAOYSA-N 446.485 -0.044 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2)CCN1 906331352 YBTGONLEXXFTGK-UHFFFAOYSA-N 447.429 -0.210 50 20 IBGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3c(F)ccc(Cl)c32)c(=O)n(C)c1=O 914555458 RZTLZLGFJWNQJX-UHFFFAOYSA-N 426.817 -0.164 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778413026 JUYDNWWSQOMYEB-NRFANRHFSA-N 435.249 -0.605 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030396 UREXFBVLDCJHDV-FQEVSTJZSA-N 433.465 -0.373 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782223259 LVEJKBNVSXXKSY-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783534258 HGMSMBDJJMRYFC-BJOHPYRUSA-N 440.258 -0.961 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1783934350 FFZCLHHBDIIOIG-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD COC(=O)CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784044987 JGSZKUHSTFQOKG-QFIPXVFZSA-N 446.309 -0.067 50 20 IBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cc(O)n1 1786983656 ZPVNSILUVRFVFI-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)CC1 1797304731 WCYXUGFULRXGGA-XEMDLRDOSA-N 440.617 -0.408 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCCCC1=O)C2 1798443666 ULIZVFKZUBODBG-QDMKHBRRSA-N 428.493 -0.051 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1Cc2ccccc2C1 1802194366 NWHQXFRJXLFLNK-VTYHHJSWSA-N 434.301 -0.015 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1803340528 JXWNSVWBLJCLNA-UZLBHIALSA-N 446.508 -0.087 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1831874972 PHNKETVDRQNJIB-KRWDZBQOSA-N 447.536 -0.096 50 20 IBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258764 WQGUTPLDHZFDEM-DOMZBBRYSA-N 441.344 -0.339 50 20 IBGD O=C(Cc1ccsc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836097123 VEOHOHFNNWRNBD-OAQYLSRUSA-N 444.318 -0.259 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152432 HXZIFSRGKYANIN-DNVCBOLYSA-N 444.916 -0.147 50 20 IBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1 1840350882 KAOIVPGBNAZTBH-HTAPYJJXSA-N 441.293 -0.501 50 20 IBGD O=C(CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NNC(=O)c1cccc(Cl)c1 734839144 XGLAECKFEDULHY-HUUCEWRRSA-N 430.914 -0.812 50 20 IBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 746092985 HYAOZKRSRUPUPW-UHFFFAOYSA-N 446.551 -0.096 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)CNC(=O)c1ccco1 751206537 IUEPMOJZHVVQTH-UHFFFAOYSA-N 437.430 -0.208 50 20 IBGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 757804137 SAWWLHSSVTZZCT-NEPJUHHUSA-N 449.555 -0.005 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)N(C)C(C)C)CC2)cc1 765121708 CDFAUPXFOOIRNK-UHFFFAOYSA-N 447.583 -0.493 50 20 IBGD COc1ccccc1/C(C)=C\C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765724508 KCWVLXZXWZPSEQ-XFXZXTDPSA-N 426.433 -0.307 50 20 IBGD Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765731893 SNBIVSUYJHRLLO-UHFFFAOYSA-N 426.433 -0.447 50 20 IBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 771605169 PYXPUOMKXLBBSK-UHFFFAOYSA-N 436.833 -0.151 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 787735471 HPQANVFUNDCDAP-QWRGUYRKSA-N 442.498 -0.620 50 20 IBGD COc1cc2c(cc1OC)C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 794524430 LFRYUTSOPIZBHR-UHFFFAOYSA-N 426.433 -0.082 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)NCC(F)(F)F)c1 918707117 TZFRXHXIGXVQMP-UHFFFAOYSA-N 427.405 -0.229 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1117441243 KINUMNJPCAZSDQ-KRWDZBQOSA-N 448.545 -0.193 50 20 IBGD COCc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030393 PYPUUCIWMJGDJY-FQEVSTJZSA-N 444.448 -0.423 50 20 IBGD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)CCCN1 1780669360 FODCXDNWNHJWSR-STZQEDGTSA-N 429.326 -0.364 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794975374 SMFJMOJHITXWRB-NJBDSQKTSA-N 440.298 -0.387 50 20 IBGD CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795212900 ACLYYHGLRIGIAD-RMFSNUHRSA-N 447.536 -0.041 50 20 IBGD O=C(CNc1ccc(F)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795541829 GNWQVDDPRNSCMW-VPTLXERWSA-N 441.268 -0.179 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1796891687 FXBCOKBWXUPBRZ-RWTPIHKPSA-N 446.508 -0.591 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2ncncc2c1 1797467398 YXCXKQGKIUOZHV-RMFSNUHRSA-N 446.272 -0.173 50 20 IBGD O=C(/C=C/c1cccc(O)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800591781 SJJGQTPPQBVCFA-QMJJLMCDSA-N 436.273 -0.011 50 20 IBGD O=C(Cn1cccn1)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807635157 WGXZBSBTFPUBFR-RXVVDRJESA-N 433.277 -0.022 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724941 KEWUIGOMNGSKAA-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733343 JBXPJTCVFRQYJZ-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1ccon1 1834300896 CHEJUYJXYNNAAI-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD CC(C)[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734378 DDGZHVSHMXBLNH-LJQANCHMSA-N 446.552 -0.113 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197500 YZUGMQQGVINMQL-NSWPXQNRSA-N 448.289 -0.008 50 20 IBGD C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839842959 LVHJLGVPWMKDSF-YCRPNKLZSA-N 431.493 -0.033 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551215 QMXQKRMOWYDMLM-DOMZBBRYSA-N 441.344 -0.339 50 20 IBGD COCCOCCOCCOCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847565659 WOPVOBYIDNVPFA-YESZJQIVSA-N 436.933 -0.126 50 20 IBGD COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276319 CBYNJRHOFRZFPV-YPMHNXCESA-N 446.551 -0.368 50 20 IBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 744913952 GLFFGPSVZMIKQG-UHFFFAOYSA-N 437.478 -0.290 50 20 IBGD COc1ccc(Br)c(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 756096513 QLTUVLFZZMRXLY-UHFFFAOYSA-N 446.283 -0.069 50 20 IBGD NC(=O)CCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 786699041 CQWNJCONFMZBKY-UHFFFAOYSA-N 426.495 -0.557 50 20 IBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 787735468 HPQANVFUNDCDAP-GHMZBOCLSA-N 442.498 -0.620 50 20 IBGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 810346015 ZNUSHERSVWQOOQ-CYBMUJFWSA-N 434.540 -0.716 50 20 IBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 912918624 ABWUBTJFTXEBRV-OKILXGFUSA-N 440.522 -0.186 50 20 IBGD Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)s1 1779031572 UFYYTDLXIHRABJ-IBGZPJMESA-N 445.505 -0.469 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnn(C)c1)C2 1782213968 DDJLSBLXKJKYGJ-DYESRHJHSA-N 434.541 -0.151 50 20 IBGD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783941367 BZCOUYCTMHKWLM-HNNXBMFYSA-N 428.338 -0.650 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1788611063 IZGVHSIOHNMDRV-IWEFOYFVSA-N 440.460 -0.307 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791305131 UOWRWVPAPQPXGZ-IHRRRGAJSA-N 430.527 -0.843 50 20 IBGD CCOc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792381114 WRKSCJJZGQJDAH-HGKCTWBKSA-N 439.277 -0.323 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793313941 UOGGACZRQMRRRN-SVNGYHJRSA-N 444.323 -0.406 50 20 IBGD Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737420 ZMCIRXZKPCEZNO-HATOLVCRSA-N 437.305 -0.094 50 20 IBGD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c2cccnc21 1797575053 CQQZHHPPOJRLSF-CWPLJXCYSA-N 448.288 -0.230 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)N1 1827055327 XSLKVQKSYLZAEK-MOPGFXCFSA-N 427.310 -0.122 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1830985624 OBTPUNLFOWOGQB-OXQOHEQNSA-N 436.513 -0.727 50 20 IBGD O=C(c1cc(=O)nc2cccnn12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838501279 HDUQDKXNPKFRHF-QAPCUYQASA-N 439.831 -0.306 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1840182735 RPLASVGRHWNGOD-PXNSSMCTSA-N 428.530 -0.777 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188429 IZWPRTGTWCKQHK-BLLLJJGKSA-N 426.297 -0.602 50 20 IBGD Cc1nn2cc(CC(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)nc2s1 1841786557 NTDMGUJTBQIXIR-UHFFFAOYSA-N 439.306 -0.161 50 20 IBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)N2CCOCC2)cc1OCC 751387098 OCNYDEDEQFHWPS-UHFFFAOYSA-N 430.483 -0.165 50 20 IBGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764229741 BZQQVTZJRRZYHI-BRNRAETOSA-N 426.451 -0.714 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 764233362 VWEWMNLOXJFBAB-SECBINFHSA-N 428.858 -0.451 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@@H](C)O1 1322714477 QXDBIIKJWNMPBB-OKILXGFUSA-N 431.501 -0.618 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880120 ZYMRDZLHVRREHL-QLJPJBMISA-N 426.271 -0.198 50 20 IBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781200742 PVYMOVLIKPSELY-LIRRHRJNSA-N 449.932 -0.043 50 20 IBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1(O)CCC1 1783513667 SJCABJGFQAYSOX-CBVHJVASSA-N 430.310 -0.489 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783530282 WJCATTRDEPPZHJ-SJCJKPOMSA-N 428.283 -0.085 50 20 IBGD COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934673 KHKLXZURAXXJRP-FQEVSTJZSA-N 436.513 -0.654 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784572819 XFBPEELDHQGJJN-MNQDVBFDSA-N 441.492 -0.074 50 20 IBGD Cc1nccn1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790649395 FCJSZQOXJLIRNQ-WDSOQIARSA-N 426.282 -0.835 50 20 IBGD Cc1nccn1[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791703339 XPYPDJPHBXZSKM-UDDICAGYSA-N 440.309 -0.274 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNc1ccc(F)cc1)C2)c1cccc(B(O)O)c1 1795737430 FSVYGALPPDBVEV-VPTLXERWSA-N 441.268 -0.179 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365018 WHHWAQKTYUIEPK-JXFKEZNVSA-N 447.260 -0.110 50 20 IBGD CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814321698 IZXNUXBMLRYYSU-GFCCVEGCSA-N 437.308 -0.907 50 20 IBGD O=C(CN1CCOCC1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817147379 MWGNUPJCIKUWCB-GOSISDBHSA-N 441.297 -0.272 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1 1830719767 JYYWKAQDTITEAK-ZWOKBUDYSA-N 442.896 -0.215 50 20 IBGD CN(C)c1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830725518 PDMVQHRRWYZNRQ-APWZRJJASA-N 426.901 -0.183 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563874 NNYUWUSERGIRGE-MQIPJXDCSA-N 434.287 -0.418 50 20 IBGD O=C(Cn1nnc2ccccc21)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832198481 HQFFKISMKCUVHQ-VQIMIIECSA-N 437.884 -0.513 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513770 IGICQBBJLLPUJZ-INIZCTEOSA-N 438.529 -0.961 50 20 IBGD COC(OC)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836788938 LLNBVWVFDNYHQY-UHFFFAOYSA-N 434.298 -0.403 50 20 IBGD NS(=O)(=O)c1ccc(F)c(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 734524662 HHHZUBKOSHRIAE-UHFFFAOYSA-N 429.455 -0.205 50 20 IBGD Cc1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 737854374 GLFCBMPMEGZFPZ-UHFFFAOYSA-N 449.468 -0.591 50 20 IBGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)o1 753563634 ATTSUHDIBNXIOC-UHFFFAOYSA-N 429.480 -0.303 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755140730 WFHVFEZHNDHITJ-UHFFFAOYSA-N 441.388 -0.346 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 764226038 DUFIQHCVMYBHQE-JTQLQIEISA-N 426.451 -0.248 50 20 IBGD COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729728 ZYDKGFIWBJZXOD-CYBMUJFWSA-N 442.476 -0.141 50 20 IBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 767255694 QSLPBTAHNLPFNU-UHFFFAOYSA-N 444.469 -0.033 50 20 IBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 787883736 XWDSFKQAUXMKQM-RYUDHWBXSA-N 432.437 -0.022 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NCCc2ccc(F)cc2)n(C)c1=O 789273325 KRCOEEKZTOHJCJ-UHFFFAOYSA-N 433.469 -0.689 50 20 IBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 812691766 IMKQNPLRYKOERJ-UHFFFAOYSA-N 447.539 -0.694 50 20 IBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 813363061 BVCANMZJNWJTFA-INIZCTEOSA-N 440.522 -0.245 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779429255 HSAALDZYUHFDFN-LJQANCHMSA-N 430.657 -0.433 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779559270 CEDPRQKSMSXEOC-YKTARERQSA-N 433.933 -0.095 50 20 IBGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782646969 DXMFOXOGSOMMFV-BXUZGUMPSA-N 425.324 -0.009 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952313 JICFIMJBBMSJJY-GUUCOKDPSA-N 435.308 -0.246 50 20 IBGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cnn1C 1786979521 UQXYGFSJKYBKGG-SNRMKQJTSA-N 426.282 -0.685 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640704 WIIABNUJYCTNCO-WOYTXXSLSA-N 448.900 -0.285 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1791291197 PNIWSKSSCUKXDR-ZOBUZTSGSA-N 443.508 -0.304 50 20 IBGD COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794372385 FSXDOVMIFAQQGL-JJLQDPRZSA-N 441.448 -0.999 50 20 IBGD CO[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1795375279 SFQPBKKLSWOUOW-YHELAOLJSA-N 438.289 -0.043 50 20 IBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810295753 XDVMRVSLGHMHKG-LIRRHRJNSA-N 439.476 -0.464 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724940 KEWUIGOMNGSKAA-PXNSSMCTSA-N 449.895 -0.063 50 20 IBGD CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830727981 MIXZDTDUPFEZPJ-KXBFYZLASA-N 440.884 -0.290 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832340921 OBAILJZHLAGHEX-SIKLNZKXSA-N 446.309 -0.604 50 20 IBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)nc1 1834373953 GQOKRLQKPJOXQJ-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837525732 OODKWUSIKMEDON-ZCVAIWLRSA-N 433.889 -0.429 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840186760 OJMXFRMLUNIOAX-ABAIWWIYSA-N 431.338 -0.073 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848138739 QUMLGCKJSXABDO-IRXDYDNUSA-N 437.460 -0.675 50 20 IBGD O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)[C@@H]1COc2ccccc2O1 10912393 VWJHYQMXAYDXPY-KRWDZBQOSA-N 438.396 -0.004 50 20 IBGD COc1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 747613454 KCEMWZTVBPGMNB-ZETCQYMHSA-N 430.302 -0.295 50 20 IBGD CO[C@H]1Cc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2C1 758053481 DWIDPTUTIKUDMA-AWEZNQCLSA-N 441.448 -0.600 50 20 IBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1S(=O)(=O)N1CCCCC1 764299969 JZOBSDINTRQFDO-UHFFFAOYSA-N 442.494 -0.008 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc(OC)c1Br 764435299 UDEUVAJLMGRJBM-NSHDSACASA-N 432.227 -0.032 50 20 IBGD Cc1cccc(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 765730558 LRUVSGDEMRCQTR-UHFFFAOYSA-N 428.449 -0.333 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1 770241911 ONZLSTXVESNWDD-UHFFFAOYSA-N 427.464 -0.140 50 20 IBGD CC[C@@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 790784466 PBAGSAMTZDLPBJ-INIZCTEOSA-N 440.522 -0.352 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@@H](C)O1 809981439 KYFYQWNUXRCYTR-BETUJISGSA-N 438.510 -0.512 50 20 IBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2nnc(O)c3ccccc23)cc1 913580828 UDQPORBDOLWLDC-UHFFFAOYSA-N 426.414 -0.053 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1116105584 QEHZERUAFVODGL-UHFFFAOYSA-N 427.465 -0.103 50 20 IBGD CCn1c(S)nc2cc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c1=O 1317993404 DRWQAELGUZPBFL-SNVBAGLBSA-N 425.492 -0.164 50 20 IBGD Cc1nccn1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790648353 ODWBGMOELXUYRL-WBAXXEDZSA-N 441.492 -0.516 50 20 IBGD O=C(Cn1ccnn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807677908 XHJFFUZXIOQFJP-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1810303735 VHWHISNRGDLTFR-CZUORRHYSA-N 435.448 -0.168 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1813073292 KSXZMGXSLVLKKO-AUUYWEPGSA-N 429.481 -0.664 50 20 IBGD Cc1noc(CC(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)n1 1815339375 BTQMOGMABJEEQM-CYBMUJFWSA-N 441.278 -0.017 50 20 IBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 1817475177 LOFCWGUFLNTYFR-SFHVURJKSA-N 441.297 -0.272 50 20 IBGD O=C1C[C@H](C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)CC2)CN1 1827060473 KYRWEAGEJRUKTL-HKUYNNGSSA-N 427.310 -0.264 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576767 QITHQHMFYSUVHB-MKBNYLNASA-N 434.287 -0.275 50 20 IBGD CC(C)NCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797871 GFGDFTACVOEQOZ-UHFFFAOYSA-N 444.385 -0.060 50 20 IBGD O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929602 YGVLCGNTGHHVHH-DEOSSOPVSA-N 448.284 -0.512 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1835934253 RTEUZVQPRZJIBR-OAQYLSRUSA-N 428.250 -0.348 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1)[C@H](F)Br 1836412338 FMPMPVDXROAGTO-AWEZNQCLSA-N 432.298 -0.065 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839146356 XOXPKOXKPPCWNO-DNVCBOLYSA-N 439.900 -0.228 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840154055 JKUDVMMNKSJRNQ-HNAYVOBHSA-N 427.885 -0.291 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 745993184 JXWVQNUCYRYOKH-UHFFFAOYSA-N 436.446 -0.039 50 20 IBGD NC(=O)CC[C@@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)c2ccccc2C1=O 746235317 SRQBTBJHYHQNKS-AWEZNQCLSA-N 440.412 -0.151 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 756706424 QNSUNHIRXLOXKH-JTQLQIEISA-N 444.495 -0.634 50 20 IBGD O=C(NNC(=O)c1ccncc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763463452 FBJDNVYROPHLGH-QGZVFWFLSA-N 439.428 -0.504 50 20 IBGD COCc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ncn1 763532355 WYFQBMNGMJSQDE-UHFFFAOYSA-N 441.492 -0.079 50 20 IBGD CCOc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)O[C@@H](C)C2 764227079 LYORPRWHQGOQQC-UWVGGRQHSA-N 428.467 -0.568 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1 768281467 KVOKCZGGCRISDW-NSHDSACASA-N 447.477 -0.053 50 20 IBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1 799983484 GFENDLUTYZGCSF-GJZGRUSLSA-N 441.510 -0.039 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 807610143 WVOKYCBNFQJRAP-ZDUSSCGKSA-N 435.462 -0.197 50 20 IBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cn1C 812729214 GRQBFLRSFMTFQU-UHFFFAOYSA-N 430.512 -0.600 50 20 IBGD CS(=O)(=O)N1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1318267991 UUXIZTAWSIPSQF-UHFFFAOYSA-N 425.515 -0.599 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1780792310 DYOFEESVFHPUIL-GCKMJXCFSA-N 437.541 -0.506 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782757818 MBXQYMNKXJWVMF-BUFPBVFASA-N 442.480 -0.197 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnc(Cl)nc1 1783378671 CEBQCJQWJMVDBI-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785672514 OZXHFPUYBYZHAD-OAQYLSRUSA-N 430.509 -0.386 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786981928 GWPPXHKDGHEHHK-WDSOQIARSA-N 447.366 -0.992 50 20 IBGD COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732412 CSYOVMMAHSKEEF-JLVBRIDZSA-N 425.250 -0.713 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)c(F)c1 1799545649 WDUKUOGMIJWJIQ-CCWDJLKJSA-N 428.225 -0.272 50 20 IBGD O=C(Cn1ccnc1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1805878766 NMWLIJNWMHMNMY-NQIIRXRSSA-N 433.277 -0.022 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362834 WRDCDOBRJBDZSI-QAPCUYQASA-N 435.249 -0.177 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831345467 KKNMEDFGMPKZQA-CJNGLKHVSA-N 426.919 -0.869 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831645364 COKNGBXLWXBXON-FXAWDEMLSA-N 438.717 -0.156 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835396168 QIHWMTREXAWFHZ-IBGZPJMESA-N 429.590 -0.374 50 20 IBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837499187 FDVZRDGPBJIJAG-FRQCXROJSA-N 448.900 -0.045 50 20 IBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839081248 ZBSLCEMISMQZQB-AXHMDWHKSA-N 443.928 -0.557 50 20 IBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16203362 SYAUJTQVYBCBPB-LLVKDONJSA-N 432.412 -0.422 50 20 IBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 17196098 HVWIPVPGJZHSOP-UHFFFAOYSA-N 425.426 -0.091 50 20 IBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1 729275512 OYIMRYQAVFNMOP-CYBMUJFWSA-N 446.551 -0.132 50 20 IBGD CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 731729952 GTYFUMIBMYHWLZ-ZDUSSCGKSA-N 429.451 -0.765 50 20 IBGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1)OCO2 753853503 UQUQNKCLHXLLQN-UHFFFAOYSA-N 448.413 -0.221 50 20 IBGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 757649864 JXLCIZMWMVAFIR-NXCRSVRDSA-N 430.465 -0.295 50 20 IBGD COC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 757696731 SKGWMOWNXZXSRA-UHFFFAOYSA-N 447.383 -0.788 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3cccs3)on2)n(C)c1=O 765725867 TZKSLEYVICHEKQ-UHFFFAOYSA-N 429.418 -0.389 50 20 IBGD C[C@]1(NNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CCS(=O)(=O)C1 783423730 ACEWCJTVXROGJL-IBGZPJMESA-N 434.474 -0.171 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777973238 CSGGUJIFQSKICZ-CSODHUTKSA-N 428.493 -0.659 50 20 IBGD Cc1nnsc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030275 NCBBMHXUDLCTAS-SFHVURJKSA-N 431.478 -0.398 50 20 IBGD CSCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034721 UCJYNWWEGAKFAA-BEFAXECRSA-N 437.522 -0.757 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1)C2 1779371010 GHWXOHJWZPQJLJ-DYESRHJHSA-N 439.476 -0.084 50 20 IBGD CCN(CC)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782692878 WTRCAAANWUTEDH-HTAPYJJXSA-N 431.342 -0.212 50 20 IBGD N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccn1 1786871255 GLZYVVBTJGHIGA-UHMOLFJZSA-N 438.293 -0.945 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 1796331512 WKTRZATULALHRZ-POKDIBPUSA-N 427.465 -0.324 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1)C2 1797750685 OCFBURVJIASYJS-YVWYUNDQSA-N 439.472 -0.033 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799040510 UDUKRENQODFJDI-ZSBIGDGJSA-N 438.448 -0.860 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C(F)F)C2 1801011461 NZHMKHMPAATWDV-DRXBFXEBSA-N 442.467 -0.066 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815347990 AOLYEBXCFDYZQM-HZMBPMFUSA-N 430.295 -0.427 50 20 IBGD O=C1C[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1821958006 PCHFFNIMXUGUKD-CJNGLKHVSA-N 425.254 -0.469 50 20 IBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1826004586 NPSJJLXMQALVMZ-RKDXNWHRSA-N 432.886 -0.148 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833617521 KDUABYLXZSNNFR-XLIONFOSSA-N 449.895 -0.063 50 20 IBGD O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CCN1 1834826653 SQVBXJXJNJPOBE-SUMWQHHRSA-N 432.315 -0.246 50 20 IBGD CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835886343 QQVNISLETWNTNB-NRFANRHFSA-N 448.524 -0.857 50 20 IBGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1839067746 KUSQTUQDQHXIBE-UWJYYQICSA-N 439.557 -0.842 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840031392 OCTQLJXPTNARNV-YVEFUNNKSA-N 444.282 -0.061 50 20 IBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)nc2n(C)c1=O 43745700 VBRHKDALICUCHV-UHFFFAOYSA-N 435.400 -0.402 50 20 IBGD Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744385134 UPJWSLSMCYAHEE-UHFFFAOYSA-N 446.489 -0.069 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746290884 ALXMGIFKYZQYOY-INIZCTEOSA-N 444.492 -0.012 50 20 IBGD CC(=O)Nc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 755634217 FIQXQPVLNYHCRH-UHFFFAOYSA-N 442.436 -0.447 50 20 IBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1ccc(OC(F)F)cc1 758045605 DHTOGUZPIVZDLD-MRVPVSSYSA-N 432.409 -0.124 50 20 IBGD COc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 770952861 PQRUFBWHDIMQPQ-LBPRGKRZSA-N 449.489 -0.280 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)ccc1Cl 915789064 BYJGPGOBIUFSGG-UHFFFAOYSA-N 440.865 -0.056 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1779030609 DHQLDUYNTRAIGA-LJQANCHMSA-N 447.883 -0.321 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1779031277 QDHKINBRMJVQEO-GOSISDBHSA-N 431.478 -0.519 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1779032405 QUDMNGWJFDYKER-HXUWFJFHSA-N 429.433 -0.472 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1779310373 DTNUBHGGCQQJOA-JDFRZJQESA-N 434.331 -0.002 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331870 RJKKRSLTBBJSKT-ABAIWWIYSA-N 430.234 -0.291 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581186 LNIVUWIPONOYDP-NRFANRHFSA-N 435.249 -0.605 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783402024 ZTLXRSHRZYBCCI-FQEVSTJZSA-N 441.529 -0.286 50 20 IBGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cn2[nH]cnc(=O)c12 1784090902 DZQLNOPKKJSYKA-MXAVVETBSA-N 437.884 -0.476 50 20 IBGD C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(F)(F)F 1786980084 HEHGNEVCRDIHNW-OWCBBSPXSA-N 444.215 -0.727 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1788611076 KFTDVCIYMKOTPA-NUTKFTJISA-N 425.449 -0.618 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21 1788778572 RLIOZXDUUJAFLF-RCXZEQIESA-N 434.331 -0.099 50 20 IBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291279 RBGWBPQFDODMRK-QZWWFDLISA-N 447.540 -0.370 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807375877 WFIZPZYPYBPBPU-AYZHRIAMSA-N 435.289 -0.027 50 20 IBGD C[C@H](CC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815295078 ZDPAQLBMNDUEAV-WBMJQRKESA-N 427.270 -0.093 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)C=CC1=O)CC2 1826090185 YTEZNHKABWPQGB-NSHDSACASA-N 448.505 -0.647 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)N1 1826533097 NKRBXXLEVNZYOO-OALUTQOASA-N 427.310 -0.122 50 20 IBGD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)o1 1830731581 MMEQYIDNIBYPMW-SCLBCKFNSA-N 429.857 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834608674 VCSLTDBNULCIMA-HXUWFJFHSA-N 436.465 -0.917 50 20 IBGD O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835098883 SDMKJJNCGLTBAQ-DEOSSOPVSA-N 448.284 -0.512 50 20 IBGD CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927519 RHQFPZLHPBFXRW-PXNSSMCTSA-N 436.339 -0.609 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)c1cnc(O)[nH]1 1835964117 OZAOELXXUZAJPJ-UHFFFAOYSA-N 441.297 -0.706 50 20 IBGD CNC(=S)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715248 DWUALBKZXYXRFR-SFHVURJKSA-N 446.646 -0.222 50 20 IBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1838130139 XDMFHPDIFAVKJF-FQEVSTJZSA-N 437.497 -0.320 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840150434 LNHDDWICWLGCBF-SCLBCKFNSA-N 429.857 -0.591 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1 1840350908 KAOIVPGBNAZTBH-VGSWGCGISA-N 441.293 -0.501 50 20 IBGD COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1840616363 UGEPLWAWOGLZBM-JOCHJYFZSA-N 446.309 -0.604 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847949981 CJYZDYNQEITRPF-BTWVVVFHSA-N 440.460 -0.363 50 20 IBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 24292042 RRPJIUKJHGYHOA-UHFFFAOYSA-N 449.514 -0.034 50 20 IBGD Cc1noc(CCCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 727603900 KCWNYGYSPSDRBH-UHFFFAOYSA-N 438.514 -0.032 50 20 IBGD Cc1cc(NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)no1 744384161 GXFIWNZXYMHRJN-UHFFFAOYSA-N 425.449 -0.128 50 20 IBGD Cc1c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cnc2c1c(=O)n(C)c(=O)n2C 747790796 OWYQBXBUUPFQHE-UHFFFAOYSA-N 445.457 -0.581 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1CCCO1)c(=O)n2Cc1ccccc1 755449893 JVDYVSWEDVQBPE-OAHLLOKOSA-N 440.460 -0.246 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 764229940 FTDYLNXIJNMWOE-LLVKDONJSA-N 434.478 -0.615 50 20 IBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccccc1S(C)(=O)=O 766661295 AGGLWNZJSGDHPQ-LLVKDONJSA-N 440.503 -0.001 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CCC(O)CC3)CC2)cc1 792238450 UHJMFRYDVCRUGZ-UHFFFAOYSA-N 438.550 0.000 50 20 IBGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)cnc21 794071142 GDUOZTNCYGHQCE-UHFFFAOYSA-N 426.389 -0.279 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778567680 IMNYBEWBHWSOKP-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CC(=O)O[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C(C)C 1778792087 QJFMAUZSIHBRMU-WIYYLYMNSA-N 432.282 -0.602 50 20 IBGD CC[C@H](NC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373195 MVRSJKZANXUABY-CSODHUTKSA-N 432.525 -0.189 50 20 IBGD C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784504585 TUMAHUIRJBBAHP-BODMPHMZSA-N 431.493 -0.131 50 20 IBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccn1 1788905194 IMDFRYSZVOABEC-WDSOQIARSA-N 439.277 -0.323 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1797748415 XADALGHBRGHGLD-LZDSYCOUSA-N 429.433 -0.785 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc[nH]1 1801242120 XFUFLQSDARWINV-DUSFSJTESA-N 425.449 -0.675 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802038215 VNABWZXUEMXRSV-YYAJDYIMSA-N 425.530 -0.746 50 20 IBGD COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1813265354 QYURORYJEVFSDU-APWZRJJASA-N 440.265 -0.563 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1)c1ccc(B(O)O)cc1 1817470151 KLIXCHAETAXROH-MRXNPFEDSA-N 441.253 -0.152 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1830042422 IPVQAERPBPLBDB-MRXNPFEDSA-N 435.319 -0.501 50 20 IBGD Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834065670 NWVMSZOOUMJXET-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD COC(OC)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835734926 YFJOUKOWKSHEAZ-UHFFFAOYSA-N 448.524 -0.511 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1835933612 DLNOXLKBMBXFGF-DYESRHJHSA-N 448.350 -0.420 50 20 IBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1836674157 IMVCWCREQMQAFQ-HXUWFJFHSA-N 442.633 -0.458 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839696058 BLZBXOXESMAZDZ-IKVWTGGYSA-N 444.318 -0.689 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 10291814 YJYROKYRCQBOPW-UHFFFAOYSA-N 444.473 -0.247 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 16785783 KPBUBOJGVRSFJW-ZDUSSCGKSA-N 441.487 -0.046 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1 729298487 ITSILDSVADNLGC-UHFFFAOYSA-N 446.489 -0.350 50 20 IBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 743293403 YJJJKGOXPIINQJ-JHNDHUHGSA-N 439.428 -0.109 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2cc(O)cc(Br)c2O)c(=O)n(C)c1=O 755620307 WJEHJTYEYPXREX-UHFFFAOYSA-N 444.267 -0.105 50 20 IBGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 755885608 IQYZTKROYRBQMH-UHFFFAOYSA-N 429.499 -0.068 50 20 IBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CCN1 763441425 DHLKYUPDSXXSSN-UHFFFAOYSA-N 426.389 -0.069 50 20 IBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763857005 JNIQKUWZHMGXMD-NSHDSACASA-N 432.412 -0.146 50 20 IBGD COc1nccnc1NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806981408 SLYZLAZIJNESNA-CHWSQXEVSA-N 426.433 -0.036 50 20 IBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 919926147 IFAUCFCEQNPXCS-UHFFFAOYSA-N 449.493 -0.774 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1779028470 MCHLDKPBUCIIAC-HXUWFJFHSA-N 427.417 -0.396 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936714 ZLSNZGBKAVXPDH-YWZLYKJASA-N 433.513 -0.520 50 20 IBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1783967753 KVDLRKOJOOUMTQ-QMVSFRDZSA-N 433.347 -0.410 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccn1 1786984041 LMRFXZHYEZUWLD-WDSOQIARSA-N 439.277 -0.323 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nn1C 1789066414 FWRKRUGRWVIXIX-QSFXBCCZSA-N 440.309 -0.431 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H](F)Br 1789922604 MNSVCTVIGSUNAU-MXAVVETBSA-N 443.078 -0.350 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCCO1 1793769676 NWVBCCHYVFKUPQ-YGTYGHESSA-N 431.493 -0.153 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(O)nc(Cl)c1 1794412943 HEYMMGKEBIGNDK-ZSBFGKGUSA-N 445.668 -0.363 50 20 IBGD Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795733014 XNNGTTLGBXHTCG-OPMZPASUSA-N 437.305 -0.094 50 20 IBGD Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751862 WJTPSUFBGJUTHJ-FVCICTRLSA-N 427.465 -0.458 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(Cl)ccn1 1798049064 GSOXRPQVJDVCCB-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccn(C(F)F)n1 1798162604 XRYKMIZSFGIXML-YWVIFJGQSA-N 434.208 -0.525 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801515030 RHMCNZSCPRPRSV-OQMKEHIESA-N 435.506 -0.486 50 20 IBGD C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1)n1cnnn1 1815361519 IISWABJSPULHBE-MFKMUULPSA-N 441.282 -0.704 50 20 IBGD C[C@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnccc2C(=O)NN)n[nH]1 1819403837 IIDJROOYKXSBCD-XHDPSFHLSA-N 428.453 -0.151 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731800 PTNXWOFEQJFVBC-UZLBHIALSA-N 428.913 -0.259 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3nccs3)CCO2)C1 1834435252 OCJBZZVYUWLKDU-LJQANCHMSA-N 446.489 -0.475 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccnc1)CCO2 1836184654 VYHXPBKNAUONJK-JOCHJYFZSA-N 447.536 -0.156 50 20 IBGD CC(C)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837458779 BPWNOEXRMHOWHJ-BTYIYWSLSA-N 449.508 -0.431 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839434945 IPPIQEDOMJURAD-FXAWDEMLSA-N 449.895 -0.063 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840575440 GSALAVQAKVDPJI-XLIONFOSSA-N 434.323 -0.668 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nnc2ccccc21 1848003315 VZSGIXYKLPFBTN-ROUUACIJSA-N 434.460 -0.055 50 20 IBGD CN1CC[C@@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc21 750788675 OCJUOTABGSDCSP-CYBMUJFWSA-N 425.449 -0.795 50 20 IBGD C[C@@H](NC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1 751618623 IODBSSPNEDYVCX-LLVKDONJSA-N 425.536 -0.286 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ccc(Cl)cc2)n1 764233342 UYNADQNIDAOBNT-SNVBAGLBSA-N 442.885 -0.142 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 764430086 SGTHSKDIGPFBIB-INIZCTEOSA-N 439.432 -0.382 50 20 IBGD Cc1cc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(C)c1Cl 765729932 JCBSFQYREHZIST-UHFFFAOYSA-N 448.867 -0.070 50 20 IBGD Cn1c(CCC(=O)NNc2nc[nH]n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 816631940 MNQDYBRGZXYEFQ-UHFFFAOYSA-N 434.482 -0.212 50 20 IBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2c1=O 913573002 DULMXLCHGQQPBD-UHFFFAOYSA-N 440.441 -0.455 50 20 IBGD Cn1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779033624 AHNBFPNXZHCHRA-FQEVSTJZSA-N 427.465 -0.895 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779937057 MHZYTOCTTYRXEO-VNBZBWLYSA-N 425.873 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1783936156 RSXNOOHETYDFPW-HXUWFJFHSA-N 429.481 -0.454 50 20 IBGD COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980005 YJFBSFOPOCSKME-WBAXXEDZSA-N 443.265 -0.592 50 20 IBGD Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732998 VLJMZYIRVURMGS-XEMDLRDOSA-N 426.282 -0.917 50 20 IBGD COc1ccccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795737121 UXGNMWSRYVGEAP-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1800977099 RPINGXLEADGQNQ-HAFSJTIUSA-N 439.900 -0.562 50 20 IBGD N=C(N)SCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807002398 RTGVDLMKYVEUIH-MAUKXSAKSA-N 441.322 -0.292 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370840 LKUKMSCUIXSKCN-HNAYVOBHSA-N 435.249 -0.177 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)CNC(=N)N)C2)CC1 1809690056 ZGMCAWJAPHRZSU-AFUMVMLFSA-N 430.513 -0.165 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1ccnn1 1812395876 KNUDNAYUMUGBTE-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1813072013 XPBDGRXQMRFHPT-TWOQFEAHSA-N 447.540 -0.947 50 20 IBGD CC(=O)N(C)[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1817299323 SSVNSGLCRPAKEX-IAQYHMDHSA-N 444.322 -0.085 50 20 IBGD CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1 1830732029 PKUSKFZUAQTVJT-KBXCAEBGSA-N 428.873 -0.455 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832182982 CATAXVUHQZZRGU-QGZVFWFLSA-N 448.178 -0.663 50 20 IBGD Cc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1835928043 CGCMMUCVQPDTSL-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837727427 KHQBHSIXKJLTPH-HNAYVOBHSA-N 433.933 -0.141 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1840183667 SLFRDTKBWMVONW-QFIPXVFZSA-N 447.536 -0.156 50 20 IBGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)no1 725873214 WLFHOGDNHXWLQC-UHFFFAOYSA-N 433.425 -0.697 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(S(C)(=O)=O)c(F)c1 741762815 ORBVTSZXWHGJQZ-UHFFFAOYSA-N 443.482 -0.346 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 744515382 AZUNWBSSNFMCMI-UHFFFAOYSA-N 442.409 -0.293 50 20 IBGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cccc1C(=O)N1CCOCC1 756184397 DDBYKWKGYIRRNN-LBPRGKRZSA-N 427.483 -0.442 50 20 IBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764141517 ACBJQYLATFVDOY-UHFFFAOYSA-N 440.478 -0.398 50 20 IBGD C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765733794 YNABQPHWNIHDAJ-GFCCVEGCSA-N 430.440 -0.011 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2CCC(C(F)(F)F)CC2)n(C)c1=O 768070866 IGIBMQOLHCVNPL-UHFFFAOYSA-N 430.387 -0.050 50 20 IBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(-n4ccnc4)nn3)c2)CCN1 788179651 YMYQRWUQCHHNIM-UHFFFAOYSA-N 442.461 -0.460 50 20 IBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 807379997 LYHMQNYBKYVWAQ-HNNXBMFYSA-N 440.482 -0.264 50 20 IBGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)COCc1ccccc1 812889564 UIHGJFASOURWKP-HNNXBMFYSA-N 426.495 -0.431 50 20 IBGD NC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 917103574 KSICWPXXZSMMKO-UHFFFAOYSA-N 427.421 -0.328 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779065297 ZBAZCZQANUIWTJ-HSZRJFAPSA-N 440.305 -0.492 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860151 MJMVTQZDODPOAB-ULQDDVLXSA-N 436.557 -0.379 50 20 IBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n(C)n1 1788945694 BKIRIXMHTIBTHP-ZVZYQTTQSA-N 434.541 -0.051 50 20 IBGD Nc1ccccc1/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795653978 STRFGVIWIIHDAZ-NEGDOWEVSA-N 435.289 -0.135 50 20 IBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)CC1 1797138868 YTBNWPVIPDTPDQ-XJFOESAGSA-N 425.910 -0.218 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363806 OCEUHOZAAZAPCW-XLIONFOSSA-N 434.265 -0.627 50 20 IBGD COCCOCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814304044 DPPMPAXCIDECOB-CQSZACIVSA-N 433.295 -0.288 50 20 IBGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335665 JGQWQTMHDMKEQP-HUUCEWRRSA-N 444.322 -0.037 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815344253 QDHFKKUFHRPHHZ-FZMZJTMJSA-N 442.306 -0.261 50 20 IBGD CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833660015 PMBRYPAXUKWQPM-VQIMIIECSA-N 426.901 -0.183 50 20 IBGD O=C(CCn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834826165 DMLSZYVPUNWXKF-INIZCTEOSA-N 430.303 -0.090 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1835935348 PCLSFBPSKBIGBJ-LJQANCHMSA-N 431.279 -0.793 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1ccccc1=O 1837680572 NWNVVTAPMJPQFI-ZRGWGRIASA-N 427.885 -0.535 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840154334 SUKMHUUMIVRBIZ-SQGPQFPESA-N 446.976 -0.668 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840181573 DHABDWZZKYFGHX-HZPDHXFCSA-N 427.281 -0.138 50 20 IBGD CN1CCCn2nc(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)cc2C1 1845727819 RFMOTFLURMNGEW-UHFFFAOYSA-N 431.541 -0.091 50 20 IBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2=S=C3CCCCCC3=C2)o1 741144324 QHKAMOWJNBPFJS-UHFFFAOYSA-N 440.503 -0.214 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1COCCO1 744643832 XGVAGXBDEOXWDI-OAHLLOKOSA-N 429.451 -0.921 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)cc1 744692989 TYSPNMZYTKDEPA-UHFFFAOYSA-N 431.430 -0.374 50 20 IBGD C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 744866237 RADXWYNTROAFCV-AWEZNQCLSA-N 427.527 -0.008 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753895881 WFWIQQSZSMGPCY-UHFFFAOYSA-N 429.524 -0.235 50 20 IBGD COc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1S(=O)(=O)N(C)C 757775358 JFZFPBTVGKXVFU-SECBINFHSA-N 437.500 -0.964 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1cccc(I)c1 758039168 IEEDZOIFJWCCGT-MRVPVSSYSA-N 425.248 -0.081 50 20 IBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 758043209 LEMXWNVBWWCAPW-UHFFFAOYSA-N 426.495 -0.273 50 20 IBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758830565 AXVQNUKHQZPBSE-UHFFFAOYSA-N 427.417 -0.045 50 20 IBGD COC(=O)c1cn([C@H]2CCCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)nn1 762555591 CBDWPKKHMYQUAA-AWEZNQCLSA-N 440.424 -0.268 50 20 IBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 763843524 RGLCTLDOVXTLNR-UHFFFAOYSA-N 434.428 -0.481 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN(C)[C@@H]2CCSC2)CC1 764283254 UCBRYJMTDGPQND-CQSZACIVSA-N 428.584 -0.102 50 20 IBGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784003556 ZWRCHBAJEFCORT-UHFFFAOYSA-N 433.465 -0.358 50 20 IBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc1ccccc1 811480468 ZCKLBOHZIOPUMK-UHFFFAOYSA-N 439.450 -0.356 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C 916622458 SJKFQXUXOTVROG-UHFFFAOYSA-N 448.571 -0.050 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210152 HUEZYZGOCOSMDE-STXHMFSFSA-N 425.530 -0.615 50 20 IBGD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936317 UMCCDTHFHMFOKW-MGPUTAFESA-N 425.530 -0.506 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1783936908 LRBRIEVPBJNFGV-FQEVSTJZSA-N 429.481 -0.226 50 20 IBGD CN1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784826039 FXMDPYYWGFEXCU-MGHWNKPDSA-N 430.509 -0.627 50 20 IBGD CCN1CCC(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1785645809 JIFDOGDFQGFQFP-QFIPXVFZSA-N 444.536 -0.140 50 20 IBGD Cc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)n1 1787692404 CLBAJTICICDCKN-OWQGQXMQSA-N 439.476 -0.309 50 20 IBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788654450 GBLFEGLFVGHGGW-DEEHTKSCSA-N 434.331 -0.600 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2)[C@@H](O)CCl 1792979138 XEJRTAVEDKQXQK-XFMPKHEZSA-N 442.925 -0.919 50 20 IBGD CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793744523 HVVJMEWELNYWPX-KHQZIQSYSA-N 446.508 -0.422 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1ccc(B(O)O)cc1 1795732450 GVXXHOQCFGNEBK-YWVIFJGQSA-N 425.088 -0.645 50 20 IBGD C[C@@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737326 AMJOXUQLMKMZEW-DFYYWFRZSA-N 438.293 -0.535 50 20 IBGD COCCn1nccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1797054748 GQRQWRAKGMVFBL-BCDXTJNWSA-N 426.282 -0.225 50 20 IBGD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Br)Cc1ccccc1 1800434846 FGJWPDIIMKWHKM-BPKGMFCQSA-N 439.354 -0.132 50 20 IBGD Cc1cn(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)c(=O)nc1O 1803146709 BSSAUSSPYYOXSH-VYDXJSESSA-N 449.895 -0.042 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)n1cncn1 1813399738 FROCMSQBYUFPDF-XFQXTVEOSA-N 448.292 -0.066 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)N1 1814047173 NBIVUJDIMZXLMQ-JSGCOSHPSA-N 428.279 -0.673 50 20 IBGD COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361957 WFMSOEYIBBJDAJ-GFCCVEGCSA-N 432.267 -0.595 50 20 IBGD COC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822621108 FORBYAOHWMTMAR-HNNXBMFYSA-N 429.242 -0.249 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825181806 WCCXEHXDQRNXJN-VIFPVBQESA-N 431.478 -0.367 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830200084 LLDUTWQSKXVWRK-SLFFLAALSA-N 429.326 -0.678 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831583644 PAJVNYIRPSTZAV-XVAXZDLZSA-N 432.257 -0.671 50 20 IBGD C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832456571 SSWSTUZXKFOWHB-FQEVSTJZSA-N 449.533 -0.326 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cncn3C)CC2)CC1 1834245997 FDILMOLKWWZGJL-UHFFFAOYSA-N 433.557 -0.022 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccon3)CCO2)C1 1834486464 NJFWUEDOIVCUPM-LJQANCHMSA-N 430.421 -0.943 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834532632 OQXNOKCCXDBRFB-UGSOOPFHSA-N 428.873 -0.191 50 20 IBGD O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835098934 UXXIRFKNXIWNQM-XMMPIXPASA-N 448.284 -0.512 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720263 NJANCSKNMBBFEO-INIZCTEOSA-N 432.949 -0.042 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1838754307 MLDJKRTYNCXFLZ-OAHLLOKOSA-N 437.541 -0.506 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840035947 AQWHRIDJEFLLIF-CZUORRHYSA-N 430.303 -0.092 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840590749 VSBFZNDDDWWHLZ-UTKZUKDTSA-N 440.541 -0.368 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1841924461 OGCDGLYGZHDYNR-STQMWFEESA-N 445.948 -0.085 50 20 IBGD O=C(c1ccc2nc(CO)[nH]c2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014023 OVBOKOPTIMRDHQ-UHFFFAOYSA-N 434.261 -0.134 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 740851686 QZOAUAYDPCBRKG-KRWDZBQOSA-N 429.477 -0.086 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 756785391 UDBOQELVOQKKEA-JTQLQIEISA-N 433.512 -0.535 50 20 IBGD Cn1cc(C(=O)NNC(=O)Cc2ccc(CC(=O)NNC(=O)c3cnn(C)c3)cc2)cn1 763481654 ZPLJJFANLUQJIM-UHFFFAOYSA-N 438.448 -0.839 50 20 IBGD C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C1 764211993 NYRPNXZBRJWHEQ-CYBMUJFWSA-N 425.511 -0.245 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@@H]2OCCc3ccccc32)n(C)c1=O 765725005 NUWHFAOZTGXAHC-AWEZNQCLSA-N 426.433 -0.715 50 20 IBGD Cc1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 770771697 MMTUOEKGIMXUKK-ZETCQYMHSA-N 439.263 -0.080 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 786371879 RZUVHIIGDDIDNI-DTTOXWODSA-N 440.412 -0.585 50 20 IBGD Cc1ccc2c(c1)CC[C@@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)O2 793676215 QHHXNAXSTDSADF-AWEZNQCLSA-N 426.433 -0.717 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nc1 797653531 XIWQTJWSLUIHRG-UHFFFAOYSA-N 431.438 -0.226 50 20 IBGD C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CS2 800347048 RSOQXXIANDKRNN-LCCAYYTGSA-N 435.458 -0.029 50 20 IBGD COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1 806752371 DBGGYIREAIGFBN-WFASDCNBSA-N 438.437 -0.437 50 20 IBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1F 806972908 RECISBFTPAPOEB-UHFFFAOYSA-N 438.393 -0.138 50 20 IBGD COC(=O)NCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917541856 SFGPGTSYIGBBJF-UHFFFAOYSA-N 428.467 -0.857 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1779029262 PZIVCHOHUZEWCV-OXJNMPFZSA-N 429.433 -0.545 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1783936998 ZSPYDPOXYGVDOQ-NRFANRHFSA-N 432.525 -0.036 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784488001 DHXISYQCEFMJON-KSFYIVLOSA-N 439.277 -0.328 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)nc3)C[C@@H]21)c1cccc(B(O)O)c1 1786982160 POBLHZRSXRRSOY-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786985248 VSWAWTJBQXHZRH-SZMVWBNQSA-N 444.293 -0.697 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787294941 FRMBSSFXQLKBBI-QEJZJMRPSA-N 435.481 -0.541 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791633406 SDZTUPPALYFPTH-XSLAGTTESA-N 434.541 -0.128 50 20 IBGD COc1cscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734266 MLOVTBXKDKTLIZ-ZSBFGKGUSA-N 430.291 -0.047 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C(F)(F)F)c1ccc(B(O)O)cc1 1802376046 RYYYDNDQDVMJED-BTTYYORXSA-N 427.188 -0.703 50 20 IBGD O=C1CC[C@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1814523332 OZMRJPBBOHFUAH-WMLDXEAASA-N 439.281 -0.078 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826085159 HQWMSRDAPXWXBL-QWRGUYRKSA-N 439.542 -0.125 50 20 IBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830545918 OKRSDKOGCRDYLU-LRDDRELGSA-N 436.303 -0.170 50 20 IBGD CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725409 OHPLQSGOVRZVEP-KBXCAEBGSA-N 428.873 -0.455 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1ccccc1=O 1830730822 FNTUAPMKKGXSQT-CLCXKQKWSA-N 427.885 -0.535 50 20 IBGD O=C1NCc2cc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1830731127 IBBDELBDMHOEAP-JXFKEZNVSA-N 437.880 -0.400 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831345465 KKNMEDFGMPKZQA-BBRMVZONSA-N 426.919 -0.869 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835684464 FLAVNLUXAURZRB-ZSZQSSIHSA-N 426.901 -0.062 50 20 IBGD CC(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837455924 GQQDKAXHTYCFJC-FQEVSTJZSA-N 435.481 -0.820 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCC3)C2)C1 1837461614 ZYJPPMAXSMSNJZ-NRFANRHFSA-N 431.493 -0.055 50 20 IBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837608121 WPSCVWLBXMMINC-WRSAYESZSA-N 443.863 -0.414 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715377 NGPPKWVHBZJXKO-CRAIPNDOSA-N 447.561 -0.641 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839866501 CQUPTOHDNVONBK-XNJGSVPQSA-N 432.315 -0.390 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 728370018 PAYYERQGSSQDGU-ZFWWWQNUSA-N 429.520 -0.188 50 20 IBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CO)c(=O)n2Cc1ccccc1 753437750 BCQVEHKEGKLUGD-UHFFFAOYSA-N 428.449 -0.796 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cn1cnc2ccccc21 763011737 HNTBBCHFITUYDM-LBPRGKRZSA-N 444.473 -0.350 50 20 IBGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 763997338 JVPPWCNIXOWPDD-LBPRGKRZSA-N 441.462 -0.219 50 20 IBGD COCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764425660 PSVLXHYGQPHSEP-ZDUSSCGKSA-N 446.254 -0.024 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 764425694 QWORZWCVLFFKLX-ZDUSSCGKSA-N 435.462 -0.366 50 20 IBGD C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764817372 OWXJBWITWLKMBK-CQSZACIVSA-N 438.492 -0.157 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 793783388 MLGHPXVZVSLKEH-QGZVFWFLSA-N 427.458 -0.726 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ncc(Br)s2)n(C)c1=O 814877746 YFQFHZFXAKQJMC-UHFFFAOYSA-N 426.256 -0.197 50 20 IBGD CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 919692623 UQEITKWVKUFSSH-UHFFFAOYSA-N 446.551 -0.050 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)cc21 1778381250 SDJFQLSKZZYFKM-KDOFPFPSSA-N 425.873 -0.940 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782410730 LPCAJMBPWRQCOM-JOCHJYFZSA-N 443.504 -0.002 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1783874880 HTOGPSSMHCKNSN-UWCDFFNFSA-N 432.930 -0.127 50 20 IBGD CCc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)co1 1786984286 YOMQVXRMTURHSL-ZVZYQTTQSA-N 427.266 -0.176 50 20 IBGD CCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984708 ZQRMBSCKLSIWMJ-IEZWGBDMSA-N 426.282 -0.510 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1Cl)C2)c1ccc(B(O)O)cc1 1795734776 ZRCVCJQXRDTRGI-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2 1796439413 AZAVENHMFPIWAK-CBKYIJDSSA-N 440.460 -0.343 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2 1797749637 HXAFKOJMAAPIFM-DRXBFXEBSA-N 445.867 -0.355 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)[nH]n1 1822413364 SVCFCKJFVIKKIN-ZDUSSCGKSA-N 428.515 -0.181 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1822414286 QSXWDMSULONIQG-AWEZNQCLSA-N 433.517 -0.385 50 20 IBGD NCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)[C@H](O)CCl)C2)C1 1828954591 ORFZXIXMIWMVTC-UZLBHIALSA-N 438.912 -0.003 50 20 IBGD CC[C@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834685349 YEDRQVSAFZEDNQ-HRAATJIYSA-N 444.385 -0.075 50 20 IBGD Cc1noc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935309 ODZMHEWTWIQEHU-OAQYLSRUSA-N 443.265 -0.645 50 20 IBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840180111 IHLSSFBCSGGBFI-RBUKOAKNSA-N 446.573 -0.090 50 20 IBGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)N1 1845873782 JWJIVUYQXGMAEI-DMDPSCGWSA-N 432.905 -0.096 50 20 IBGD Cn1c(=O)c2cc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cnc2n(C)c1=O 728209630 JVRLBCFJNLALOJ-UHFFFAOYSA-N 444.473 -0.170 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 749938486 PGTQNAZTARKFBD-INIZCTEOSA-N 449.441 -0.261 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 753778881 QNGKPEQPOAETEF-SECBINFHSA-N 426.476 -0.323 50 20 IBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764286477 VPSUNBYUQXSZLB-UHFFFAOYSA-N 434.478 -0.087 50 20 IBGD COc1ccccc1C(C)(C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638711 JCJNRWWNKRXGKU-UHFFFAOYSA-N 428.449 -0.433 50 20 IBGD O=C(NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)N[C@H]1CCS(=O)(=O)C1 777923750 LZUFTUSCJGHCMG-QMMMGPOBSA-N 432.402 -0.298 50 20 IBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nc1 792393445 KFMHTXCISURGPQ-UHFFFAOYSA-N 431.434 -0.297 50 20 IBGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 806978594 HAPRUPIRJQHWMD-UHFFFAOYSA-N 430.417 -0.067 50 20 IBGD CCn1nc(C(=O)NNC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c2ccccc2c1=O 879507505 ARBODLYQSPWUBT-UHFFFAOYSA-N 435.400 -0.161 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 917495847 AZWSLYQRDPTVMJ-ZDUSSCGKSA-N 435.510 -0.035 50 20 IBGD O=C(NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N[C@@H]1CCS(=O)(=O)C1 919888084 ACHUZCSMKHKOOK-XBFCOCLRSA-N 444.510 -0.514 50 20 IBGD O=C(CNC(=O)c1ccc(Br)s1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212678 UCVUTZGGQZFJMC-SSDOTTSWSA-N 439.313 -0.242 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn[nH]c2)C1 1778214962 BIPMBURUJJUSMC-OXQOHEQNSA-N 427.465 -0.151 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1783935232 RNSNMANAWRKJNK-NRFANRHFSA-N 431.493 -0.398 50 20 IBGD Cc1noc(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785078831 VZOZKNRVOOEWMG-VDGAXYAQSA-N 441.293 -0.193 50 20 IBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1)NC(=O)NCc1ccccc1 1786795859 ZCTJWXSCXXMKEK-BZSNNMDCSA-N 432.525 -0.729 50 20 IBGD CCc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1797960151 NFBTXXJVVFNSSE-XOIINTDNSA-N 429.307 -0.098 50 20 IBGD O=C(N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1)c1ccc(B(O)O)cc1 1821469447 COGLZYLVTSRXIZ-LBPRGKRZSA-N 439.262 -0.554 50 20 IBGD O=C(c1ncn(-c2ccccc2)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728559 UTFLVXMUPJTSQN-OXJNMPFZSA-N 449.895 -0.063 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831449820 SZKYKUYLCNYZFW-CXAGYDPISA-N 438.930 -0.397 50 20 IBGD CN(C)CCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834615899 VTGJCVGJEDPFDV-UHFFFAOYSA-N 445.568 -0.178 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835684455 FLAVNLUXAURZRB-GMBSWORKSA-N 426.901 -0.062 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1835927578 UIUOQYCFDSQKPR-LJQANCHMSA-N 449.656 -0.608 50 20 IBGD O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837316295 YXWCTWPHRIOVOI-HZMBPMFUSA-N 432.779 -0.852 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1837727428 KHQBHSIXKJLTPH-KXBFYZLASA-N 433.933 -0.141 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840150556 NGJKWJGKLHDICK-DNVCBOLYSA-N 427.885 -0.291 50 20 IBGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840184777 BGXXMLGTDKCTSP-LAUBAEHRSA-N 439.557 -0.842 50 20 IBGD Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)COc1ccc(C#N)cc1 14319758 ITHOIVOPSGXXLA-UHFFFAOYSA-N 440.460 -0.054 50 20 IBGD C[C@@]1(NNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCS(=O)(=O)C1 732703573 XZBDRUAUVBDIQV-GFCCVEGCSA-N 436.478 -0.071 50 20 IBGD CCOCCCn1c(NNC(=O)CN2CCN(CC)C(=O)C2=O)nc2ccccc2c1=O 733266433 VUYRKDADKPIDGA-UHFFFAOYSA-N 444.492 -0.043 50 20 IBGD CCOCCCN1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@H](C)C1 735227375 SGGRERAHFBQOQO-CYBMUJFWSA-N 426.543 -0.188 50 20 IBGD CCOC(Cn1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nn1)OCC 748544166 FSQAMVPTSVEEGU-UHFFFAOYSA-N 429.437 -0.001 50 20 IBGD Cn1c(N)c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(C)c1=O 749807006 IWFUQKDGABWQGV-UHFFFAOYSA-N 434.478 -0.785 50 20 IBGD C[C@@H](NC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 751616618 FSOBQWYNFYBSSG-LLVKDONJSA-N 425.536 -0.286 50 20 IBGD CCc1c(C(=O)NNc2nccc(N3CCOCC3)n2)cnc2c1c(=O)n(C)c(=O)n2C 754474097 PUNMFHMKHAFLPT-UHFFFAOYSA-N 440.464 -0.422 50 20 IBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)co1 757649430 HXZQDNJYUYRDGJ-UHFFFAOYSA-N 435.462 -0.854 50 20 IBGD CCc1c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1CC(C)C 757777073 UZSBASCACZYYIB-UHFFFAOYSA-N 445.484 -0.299 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n1 763275826 MYUATQWKRHPIQS-UHFFFAOYSA-N 439.475 -0.818 50 20 IBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1S(=O)(=O)N(C)C 763823212 BOQBNMNMRGXITQ-UHFFFAOYSA-N 435.462 -0.469 50 20 IBGD CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764228689 ZYHYUKBIPDVWHD-JTQLQIEISA-N 429.455 -0.697 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 764230693 JMUYFDIZIAPXTF-JTQLQIEISA-N 438.491 -0.349 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1NC(=O)CN1CCCCC1 764424727 KQQCSVKMBAJGFY-QGZVFWFLSA-N 447.492 -0.079 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)n(C)c1=O 765127729 XHYDCSITWGRROP-UHFFFAOYSA-N 444.832 -0.764 50 20 IBGD CCN(CC)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636774 UTDCXCWZRGUKRM-UHFFFAOYSA-N 425.555 -0.209 50 20 IBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 771003398 JFLUGSHEERNVOV-GFCCVEGCSA-N 434.474 -0.149 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC2CN(S(C)(=O)=O)C2)nc1 779697152 XWXMIDKYTGMBAG-UHFFFAOYSA-N 434.544 -0.370 50 20 IBGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 782703290 XQVJCVBQSXZWOF-UHFFFAOYSA-N 428.445 -0.004 50 20 IBGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cn2)C[C@@H](C)O1 784004194 KHHQZJRIFNLXQI-BETUJISGSA-N 444.448 -0.196 50 20 IBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 873776764 NGAIEEMLPFZDAD-UHFFFAOYSA-N 439.494 -0.192 50 20 IBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 912919903 SXHGQPBSQMVCHP-ZIAGYGMSSA-N 440.522 -0.186 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1 915240095 NRKGFXFXWPNWBN-CYBMUJFWSA-N 439.402 -0.668 50 20 IBGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031290 QMYQPSUNFWMXLS-NRFANRHFSA-N 443.508 -0.590 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1784496963 GNDGFRQXAMHGQA-KKSFZXQISA-N 426.282 -0.657 50 20 IBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785037082 DFYFLSQCXCSPJH-VGWMRTNUSA-N 435.974 -0.286 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)[C@H](O)N1CCOCC1 1788650396 LBQKUXRZAKHTIV-WSMBLCCSSA-N 434.331 -0.598 50 20 IBGD Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cnc2s1 1792980897 APWRBMUMBHUJKP-XCCSTKFXSA-N 440.909 -0.133 50 20 IBGD O=C(CSc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793949835 UHCLNNPWDKDDAM-CWPLJXCYSA-N 441.318 -0.243 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795734248 LCBSXPZPPKKSDQ-JSJNYSNDSA-N 448.350 -0.171 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc2nc[nH]c2c1 1797410034 WKEMIEIARFULPY-CWPLJXCYSA-N 434.261 -0.240 50 20 IBGD CN1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CCC1=O 1798439644 RNZBJATYSSCYPP-CLLJXQQHSA-N 427.465 -0.455 50 20 IBGD C[C@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801225433 QSXPDIKPVMQCDQ-LAVAIGHBSA-N 437.305 -0.157 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803143144 VKOAACLZVKJCHL-HGTKMLMNSA-N 428.873 -0.248 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813072406 BVZPSRDFDQABLB-WIBUTAKZSA-N 432.525 -0.015 50 20 IBGD O=C1CC[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)CN1 1817475101 KUAIYCJEBWRKHG-YOEHRIQHSA-N 439.281 -0.078 50 20 IBGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819799515 DGGXUJNGKMDJFP-GXSJLCMTSA-N 445.505 -0.108 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830038068 BKQGPVGZBAVPLP-GUYCJALGSA-N 449.346 -0.255 50 20 IBGD Cn1ccnc1C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800949 DBKNJPVIQNKZIL-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836206061 LQCYTXKROSVPDY-CZUORRHYSA-N 430.303 -0.235 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837410446 NSVKZPNNUOSYEJ-GHTZIAJQSA-N 430.266 -0.871 50 20 IBGD C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1838639982 QCJNHTVIOJXMHY-OAHLLOKOSA-N 425.530 -0.508 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1840185779 SBNXZUYHAWGBPX-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)c1 1847383720 NQGYIWFXMPLQSJ-OALUTQOASA-N 442.302 -0.101 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 729276380 DIWXFGQWMZSSPJ-VHSXEESVSA-N 447.311 -0.113 50 20 IBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 733659737 CICWFICTAHVVRE-CYBMUJFWSA-N 434.540 -0.231 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)o1 744619738 WNYDIOXFPTXBLU-UHFFFAOYSA-N 444.491 -0.035 50 20 IBGD O=C(Cc1ccncc1)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)nc1 747324051 XNWWMQPOYOBQAN-UHFFFAOYSA-N 433.428 -0.121 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 763656469 BUXYUTDTFKDMQC-UHFFFAOYSA-N 436.446 -0.184 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2nc3ccccc3o2)n(C)c1=O 765726121 YNTLVSWZNIZMCN-UHFFFAOYSA-N 425.405 -0.645 50 20 IBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 766758637 NMJOVDRBUGIHLH-UHFFFAOYSA-N 442.498 -0.618 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1779034893 WJBSKTPBHRPZTL-NRFANRHFSA-N 440.460 -0.528 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181692 MKGQRQJJEGCNDD-CKFHNAJUSA-N 439.900 -0.321 50 20 IBGD COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371036 IPWBDLKLFUEMKA-DYESRHJHSA-N 449.508 -0.524 50 20 IBGD COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784093857 HLOZLVPYINIXTP-NXOAAHMSSA-N 436.933 -0.365 50 20 IBGD O=C(CN(CCO)CCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1790908643 SXBGENAYWDHVDF-KKUMJFAQSA-N 436.347 -0.962 50 20 IBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1791063133 AZWWFMYMEKCVQE-QPSCCSFWSA-N 436.347 -0.964 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccn2nccc2c1 1797555672 WBFPTFZZZRFTDR-XEMDLRDOSA-N 434.261 -0.469 50 20 IBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1808369480 GOHGGUDWGUIVAN-DHSIGJKJSA-N 439.476 -0.466 50 20 IBGD COC(OC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819793790 SXEYPRBUAXSDHP-SECBINFHSA-N 434.478 -0.014 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)on1 1834221975 FYNINURUKPXGEC-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD Cn1ccnc1C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834269532 PPJLVECJENASGD-UHFFFAOYSA-N 439.325 -0.401 50 20 IBGD O=C(CCN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834822263 FBURKQKWGIRLHX-GOSISDBHSA-N 448.358 -0.050 50 20 IBGD CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836832394 JJSZLLOHSRACES-UHFFFAOYSA-N 431.298 -0.885 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1844157245 CMWAUGNCJRFEFY-OOXYOOLHSA-N 434.453 -0.612 50 20 IBGD Cn1nc(SCC(=O)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)c(=O)n(C)c1=O 730568802 CEZFGXCYZPQINL-UHFFFAOYSA-N 428.814 -0.011 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478350 NAMRFKRBTHBTAJ-RFHZTLPTSA-N 449.489 -0.788 50 20 IBGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)ccc1OC(C)C 756080273 LRFDQOZURWPTBZ-UHFFFAOYSA-N 425.467 -0.045 50 20 IBGD Cc1cnn(-c2ccc(S(=O)(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2F)c1 757657021 SZMZCFQWMGIJNX-LLVKDONJSA-N 431.471 -0.001 50 20 IBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 763445534 JKLYSJPLMTZDHX-OAHLLOKOSA-N 427.373 -0.104 50 20 IBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763803748 NIVXNQKNVIQRAY-UHFFFAOYSA-N 444.404 -0.009 50 20 IBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cn2)C[C@@H](C)O1 764034350 NTRYRSIVYLVYPX-BETUJISGSA-N 448.505 -0.091 50 20 IBGD O=C(NNC(=O)c1ccoc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764162964 GLZTTWNSVATUTK-INIZCTEOSA-N 428.401 -0.306 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 764226063 FBXUOINOQQGJOI-JTQLQIEISA-N 440.507 -0.405 50 20 IBGD C[C@@H]1CC(=O)C[C@@H](C(=O)NNC(=O)c2cccn2C)[C@H]1C(=O)NNC(=O)c1cccn1C 791124685 SCSWHVCDSWEWKB-MRRJBJDNSA-N 442.476 -0.183 50 20 IBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1 810348471 NTKJZEALMGWVGB-UHFFFAOYSA-N 443.489 -0.309 50 20 IBGD CN(CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)S(C)(=O)=O 916580035 BEOMPSKKPKWSLM-UHFFFAOYSA-N 435.528 -0.838 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1779032235 HKALOOYSXAUYOO-FQEVSTJZSA-N 426.433 -0.924 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032353 NXGGYTUZQBRADN-LJQANCHMSA-N 435.557 -0.020 50 20 IBGD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334470 OCRGWLRHYOUOEO-BXUZGUMPSA-N 425.324 -0.009 50 20 IBGD O=C(Cc1cc[nH]n1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781562547 HTNQAZVGPVHOJL-WIYYLYMNSA-N 426.282 -0.540 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783876102 RRXCSMSJAAQKDK-SJKOYZFVSA-N 446.913 -0.465 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1786401068 MKSJPHDEYWQGCL-SRVKXCTJSA-N 431.287 -0.697 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)o3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981003 KFKXUQSIAXEHDW-FNHZYXHNSA-N 428.250 -0.641 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc2cccnn2n1 1789142480 YXMGHCPGMHYMOG-QSFXBCCZSA-N 449.276 -0.684 50 20 IBGD COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1792963795 OHIMHAWRJZVECS-HXOKRWIQSA-N 444.293 -0.841 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CC1 1797272427 XIUMOLZNMVLWNW-AGGWBTHJSA-N 426.200 -0.088 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccn3c1)C2 1797750590 KPFPATKRTXXYHZ-CCWDJLKJSA-N 449.471 -0.150 50 20 IBGD C[C@@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011375 INFLYCJJZJVMCH-IHSNIMORSA-N 432.525 -0.155 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n1 1809972638 WQKXEFGQUCVTGP-UHFFFAOYSA-N 440.313 -0.456 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1813034076 ACKICHQWUAZYDH-YCPHGPKFSA-N 440.884 -0.116 50 20 IBGD COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830725873 MQULYOSMCUSAOQ-BEFAXECRSA-N 427.885 -0.311 50 20 IBGD O=C(C1=COCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939654 CVXIKPVKEYQHHE-NRFANRHFSA-N 430.266 -0.869 50 20 IBGD O=C(C(Cl)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839784958 BIPHRCHVQGLMJT-ABAIWWIYSA-N 429.322 -0.176 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840182258 BCGALYYUCWBLEJ-FQEVSTJZSA-N 436.513 -0.828 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840183864 FGAXCQZHJDHYJM-NRFANRHFSA-N 448.524 -0.761 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840326457 HOPCKHZVYDZDNQ-HXUWFJFHSA-N 436.513 -0.828 50 20 IBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745440278 GJJHRQQRAJGSSG-XPJRSKKXSA-N 440.412 -0.587 50 20 IBGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cccc1S(N)(=O)=O 753889065 IQHPDGQFZQPWQB-UHFFFAOYSA-N 440.503 -0.032 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nc1I 758030134 OOKVALWNQMMGGT-LURJTMIESA-N 442.235 -0.607 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 758033896 AFSCSKUHCXMZKF-CHWSQXEVSA-N 446.551 -0.052 50 20 IBGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763917294 UBTCBOBIADATGI-UHFFFAOYSA-N 427.352 -0.012 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)c3cn(C)c4ccccc34)cnc2n(C)c1=O 763976099 XUWUPUFHIDEVMZ-UHFFFAOYSA-N 449.427 -0.476 50 20 IBGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 764379460 YFXSVIMWUYBDFG-UHFFFAOYSA-N 441.448 -0.909 50 20 IBGD COC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 765371677 FRADNVAEWKLHQE-UHFFFAOYSA-N 435.409 -0.313 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 771846828 SSPKWNSSARCTGU-WWGRRREGSA-N 429.495 -0.180 50 20 IBGD O=C(NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCc2nncn2C1 793451940 VMTQNHYIUKYYQY-LBPRGKRZSA-N 432.462 -0.523 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 915056449 ISQREQUCEOZYGY-GFCCVEGCSA-N 425.467 -0.288 50 20 IBGD Cc1nccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1778310167 RUSYTEDWTJPGHY-DENIHFKCSA-N 438.293 -0.094 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779204588 GDZHBZRHDWJIJN-HXUWFJFHSA-N 432.481 -0.777 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782318424 KLDSGRCYCXJOHA-NRFANRHFSA-N 439.476 -0.415 50 20 IBGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c(O)n1 1786984923 YWNPRECADOJAEO-SNRMKQJTSA-N 439.277 -0.317 50 20 IBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c(=O)[nH]c1C 1791288543 CEENXMMKWGIUKZ-JYJNAYRXSA-N 448.524 -0.647 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCC3)C2)c1ccc(B(O)O)cc1 1795734673 ZDSFVTKTCQSQDD-XEMDLRDOSA-N 436.273 -0.182 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736906 NUCUJXHMBRQHGG-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804096444 VIJXSEONNRUNND-JKIFEVAISA-N 437.884 -0.107 50 20 IBGD C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)C1 1829669263 UMTMOMDQDSWFDU-OAQYLSRUSA-N 429.477 -0.279 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccno3)CC2)CC1)c1cccc(B(O)O)c1 1834801314 ZXDAMLOFTUDBMO-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)co1 1838138948 OEDRXQVUIKUUJF-HXUWFJFHSA-N 437.497 -0.320 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2)C(=O)O 1840031789 CGFSCPZLQWUQIE-HSMVNMDESA-N 436.303 -0.711 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160601 MVLATTHUKSFBII-LUMUPFKMSA-N 437.522 -0.105 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840183638 QUWOLPSNUKAMOB-HSZRJFAPSA-N 442.516 -0.133 50 20 IBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 726152425 OFAJBGAVEAMGAG-UHFFFAOYSA-N 446.894 -0.030 50 20 IBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)c3ccoc3)cc2)CC1 764159614 ZEQCJXBRTRXRIE-UHFFFAOYSA-N 429.433 -0.026 50 20 IBGD COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764226047 DWHJSQFIJNETEL-JTQLQIEISA-N 428.467 -0.839 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccn(-c3ccccc3F)n2)n(C)c1=O 765732475 VJYSPWXSYNUNPR-UHFFFAOYSA-N 440.395 -0.780 50 20 IBGD C[C@H]1CN(CCC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H](C)O1 767824088 WGTZUQCAVGDSBJ-CALCHBBNSA-N 447.540 -0.448 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Br)c1 794586659 ABNQIWBPQMZIBL-SSDOTTSWSA-N 430.302 -0.295 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1C 798310389 WVUQEEDFTCLMBW-UHFFFAOYSA-N 438.444 -0.043 50 20 IBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 916580409 WOZIONXGWWMYFW-UHFFFAOYSA-N 434.544 -0.405 50 20 IBGD CCNC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 920858163 BSAXMLGUXNSCQN-LBPRGKRZSA-N 440.931 -0.228 50 20 IBGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c2ccccc2c1=O 1116079745 BCEGJVGLKPMYCY-OAHLLOKOSA-N 443.508 -0.716 50 20 IBGD Cc1nc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)no1 1782208908 AEGCDRWPDHWYOZ-FOIQADDNSA-N 436.513 -0.193 50 20 IBGD CCOC(=O)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782706999 DAJBVYLONLGEPX-RBZFPXEDSA-N 449.464 -0.310 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(=O)oc1 1794995215 MENFVVNKYSHJKM-FVCICTRLSA-N 427.417 -0.845 50 20 IBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800581645 LPNXDKDSYZYAID-HLPPOEQASA-N 436.347 -0.964 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012980 ITXLMZHTQGXPOT-MFCZKXCZSA-N 432.525 -0.155 50 20 IBGD Cc1ncc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1801331977 GVUDXJYGYPUTOZ-IVWMJMPLSA-N 444.517 -0.104 50 20 IBGD COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1802096934 PHABVTJXMZMGHG-YYIAUSFCSA-N 436.933 -0.080 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806766082 IAROSQSSKDMLBX-APWZRJJASA-N 445.306 -0.874 50 20 IBGD O=C1C[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)CN1 1815348354 KYTQNMHWWQPPSE-WCQYABFASA-N 428.279 -0.815 50 20 IBGD C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2)n1cnnn1 1826987030 OBJDUODKAXJCBE-QWRGUYRKSA-N 435.514 -0.324 50 20 IBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054711 HVIFFBJJIMENRD-RBUKOAKNSA-N 444.341 -0.808 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)n1ccccc1=O 1837680563 NWNVVTAPMJPQFI-CLCXKQKWSA-N 427.885 -0.535 50 20 IBGD O=C(c1cccc(-n2cncn2)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839434948 IPPIQEDOMJURAD-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875457 MSTXLXVQXYYLFO-VFNWGFHPSA-N 447.492 -0.818 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 26694231 IDVXIYYPCXIUGJ-CYBMUJFWSA-N 433.446 -0.750 50 20 IBGD CCOc1ccccc1OCC(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 26737303 OVSGTPSVOGKXSR-UHFFFAOYSA-N 444.448 -0.551 50 20 IBGD COC(=O)Nc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755998957 ATLODSZJAUOXDF-UHFFFAOYSA-N 444.408 -0.535 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 758048133 PIQQQLNPMRGWFW-ZDUSSCGKSA-N 446.551 -0.511 50 20 IBGD NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNc1ccccn1 760489287 GOLCABWPJZPNBX-CYBMUJFWSA-N 435.462 -0.092 50 20 IBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763572749 OPKLCUPIPIDXRL-MRXNPFEDSA-N 448.457 -0.171 50 20 IBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 763578209 MZHQIDBKHSAORR-HNNXBMFYSA-N 431.426 -0.058 50 20 IBGD COc1ccc(-c2cc(C(=O)NNC(=S)NCCNS(C)(=O)=O)n[nH]2)cc1OC 764499966 IHLCRSZSTQUPMM-UHFFFAOYSA-N 442.523 -0.248 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](C)c3cnn(C)c3)CC2)cc1 765731162 YNQDWSKGTLNMBX-INIZCTEOSA-N 448.549 -0.014 50 20 IBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787888707 FVZCLOHIWLQSEG-UHFFFAOYSA-N 441.330 -0.152 50 20 IBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 790065834 SJQFLDJXAQIZFV-UHFFFAOYSA-N 442.494 -0.643 50 20 IBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 920380113 GVFNFTFYTWBRQX-OAHLLOKOSA-N 444.535 -0.082 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Sc3ccccc3)CC2)n(C)c1=O 1319426288 VTHUMXYEAHWVNN-UHFFFAOYSA-N 428.474 -0.094 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779730755 VEDDXKIWDYHEAH-FQEVSTJZSA-N 431.204 -0.203 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1780096730 GKORJLKNBUVFBO-LJQANCHMSA-N 448.436 -0.553 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccccc1=O)C2 1782211834 APSKVTWDZANHSF-VGOFRKELSA-N 447.536 -0.265 50 20 IBGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cnn1C 1786183521 PWUYVVGOVRSSRB-SNRMKQJTSA-N 426.282 -0.685 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ccnn4c3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981984 UYKHAEAQGLQMSP-YYWHXJBOSA-N 448.288 -0.079 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccnc3)[C@H]2C1 1787096737 ICQIGOINSSGTLA-SNRMKQJTSA-N 438.488 -0.084 50 20 IBGD Cc1nn[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610227 LJNQHMIAZRXILC-CQDKDKBSSA-N 428.453 -0.981 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791249321 IPEAZQHEPNQJNU-FQKPHLNHSA-N 439.962 -0.452 50 20 IBGD CC(C)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1793797764 SIWFXMBOXDPIMP-CEQLMSFQSA-N 443.353 -0.310 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794250003 JOCZHRXLJLPGQY-CBKYIJDSSA-N 440.460 -0.343 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797811110 HRDARVXQGPKSOA-OYGISIJKSA-N 445.281 -0.901 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367955 PALZTONSLDNZLR-APWZRJJASA-N 440.265 -0.563 50 20 IBGD Cn1nc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)cc1O 1815354776 CTFTVLFMHQUHLZ-LBPRGKRZSA-N 441.278 -0.198 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830364382 HWRPOWNUKLJPQE-HNAYVOBHSA-N 433.933 -0.141 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1830537789 ORWVPLFDKZXNOO-MLGOLLRUSA-N 430.303 -0.084 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C3CC3)CCO2)C1 1830790797 PPTMFBBRBQVAIP-YEFOHOTDSA-N 429.477 -0.279 50 20 IBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835566063 UDIHURJUTQNXAM-JCURWCKSSA-N 439.340 -0.728 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cccnn1 1835893968 MOVNANNSAIGVFE-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(Cc1ccncc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939336 MOCNGDZLOPRHKS-JOCHJYFZSA-N 439.277 -0.926 50 20 IBGD O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837486572 JVCUPYWJVMJISF-JXFKEZNVSA-N 428.913 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1840183719 VRRYKFDWWAMXKB-SFHVURJKSA-N 425.511 -0.414 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1840184758 FQZJUTFQGMGGCF-LJQANCHMSA-N 425.461 -0.403 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COC(=O)C(F)(F)F)C2 1844264459 VCGPYOFHVPLTRD-UHFFFAOYSA-N 429.355 -0.392 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C 736311202 DWSHESVHXCTKCC-UONOGXRCSA-N 444.579 -0.533 50 20 IBGD Cn1cc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2=O)cn1 750265264 BGNQYOUXNNWHKC-UHFFFAOYSA-N 434.482 -0.584 50 20 IBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ccccc2F)n1 764226081 FKTISIVBVFGQFU-SNVBAGLBSA-N 426.430 -0.657 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccc(C#N)cc2)n(C)c1=O 765731904 SPMTWXKZOLVTDX-UHFFFAOYSA-N 427.446 -0.755 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807970401 IQOSWZRSRGOGMT-SSDOTTSWSA-N 427.302 -0.516 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNc2ccccc2C(N)=O)CC1 809682992 LCUOZBOUYJRUJK-UHFFFAOYSA-N 447.521 -0.328 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 815569487 WCONQSMUFVJGGO-ZETCQYMHSA-N 432.256 -0.656 50 20 IBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ncnc2[nH]cnc12 917908544 BSFPCMSAKJUPEI-UHFFFAOYSA-N 432.466 -0.499 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880118 ZYMRDZLHVRREHL-QFYYESIMSA-N 426.271 -0.198 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1782175368 JPNLNRKVWSWXFY-JHDROBOHSA-N 433.933 -0.595 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1783934948 OFIAQGOFFACNSQ-HXUWFJFHSA-N 436.465 -0.380 50 20 IBGD C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784485451 MJANHPBXWOXYGO-BODMPHMZSA-N 429.477 -0.683 50 20 IBGD Nc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cs1 1786911180 RRRNDAPNVKNRMG-NOLJZWGESA-N 430.295 -0.688 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21)[C@@H](F)Br 1789926039 LGGZGKFWYIEIEX-XOBFJNJYSA-N 438.294 -0.693 50 20 IBGD Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789977243 HFMGQRZOSHXWNH-SZMVWBNQSA-N 434.541 -0.078 50 20 IBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1790961237 XNLPDHMGALKMRW-WNZSCWOMSA-N 448.358 -0.210 50 20 IBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793939628 VZOXQSXSEKYYPL-ONYIWYLUSA-N 431.287 -0.795 50 20 IBGD Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732735 FDXIZCUVEGFQGZ-CWPLJXCYSA-N 427.266 -0.583 50 20 IBGD Cc1cc2nnc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)c(C)n2n1 1796191018 OPWPEFMAJSLMHU-BCDXTJNWSA-N 448.292 -0.013 50 20 IBGD C[C@@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796417623 NEMLLAFPGSDTIC-VWPFQQQWSA-N 438.554 -0.094 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccn13)C2 1797751005 ZFIJPVGNUVBVNZ-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccncc1Cl 1798059854 CNNBSJWASMVUHM-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1801600455 JKRGIHWCDWUDJB-ZURUYJRKSA-N 429.477 -0.398 50 20 IBGD Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)n1 1805319023 NAJFZXOBWYEENF-AEFFLSMTSA-N 434.265 -0.477 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1830359450 PKFSAPZLMPIJOS-INIZCTEOSA-N 441.849 -0.567 50 20 IBGD Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834316137 HUDWMYUHUCSMAV-HXUWFJFHSA-N 444.448 -0.635 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834355678 CAUOSRDITJFDML-NRFANRHFSA-N 443.240 -0.716 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1)CCO2 1834954948 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Cc1c(C(=O)OCC(=O)NNC(=O)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 748415862 LQPYQXGTQYGUTA-UHFFFAOYSA-N 425.401 -0.441 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 756212987 QYMLQVCSLNZBSB-AWEZNQCLSA-N 443.526 -0.173 50 20 IBGD CN(NC(=O)c1ccc(S(N)(=O)=O)nc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776200676 ACAREJRHPWOHAV-UHFFFAOYSA-N 442.498 -0.022 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 788022760 HJPQLZCTDZYHSN-UONOGXRCSA-N 445.519 -0.660 50 20 IBGD C=CCNC(=S)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 913438083 KXMNCAXTWFPMRV-UHFFFAOYSA-N 439.563 -0.019 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCC(=O)N2CCOCC2)cc1 916251373 IQXRUJQHRUUXIY-UHFFFAOYSA-N 441.510 -0.805 50 20 IBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)[C@@H](F)Cl 1778025528 BTCONZSZJQZLCK-NSODJVPESA-N 427.824 -0.526 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1779035015 ZUQBNBKWLOLOQR-WODVNSBQSA-N 437.460 -0.368 50 20 IBGD CN1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnccc3C(=O)NN)C2)C1 1779376119 YJVIWHQAXCCAHJ-DYESRHJHSA-N 430.509 -0.626 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)C2 1782175028 AVNCDTFZRPZPAB-YIOZNXECSA-N 433.933 -0.095 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782382521 KGHLVZBZZINNQK-QFIPXVFZSA-N 434.261 -0.229 50 20 IBGD CC(C)N(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791789317 KCQPQIGODZYLJG-WBAXXEDZSA-N 432.525 -0.381 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)s1)C2)c1cccc(B(O)O)c1 1795740315 RPEJOUYWOYBQGJ-JJLQDPRZSA-N 435.698 -0.007 50 20 IBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1797952612 ARDAGWVVIMNNMP-JLVBRIDZSA-N 447.630 -0.842 50 20 IBGD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830723474 OCJLVXZRPFVFPM-GMBSWORKSA-N 426.901 -0.062 50 20 IBGD C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831406875 KEFNMXVEMJERNC-QFIPXVFZSA-N 446.309 -0.581 50 20 IBGD CC[C@@H](C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834799899 LNOFECVOLSWZJE-IERDGZPVSA-N 445.369 -0.041 50 20 IBGD CN1CC(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)C1 1834800629 UEJWKUXNLDMIGT-UHFFFAOYSA-N 428.342 -0.887 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835301451 QLOOVMRBHCSLTA-IFMALSPDSA-N 448.520 -0.451 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1837201100 GYKLDULPLTWMTP-IYOUNJFTSA-N 435.905 -0.085 50 20 IBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1OC 1838839866 GTOMCWBRVXMNEL-BFUOFWGJSA-N 443.884 -0.232 50 20 IBGD N=C(N)SCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199558 QBYLKDUKRZERTG-GXFFZTMASA-N 427.296 -0.240 50 20 IBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839700857 FXDIMAVPYHEXPT-FZKQIMNGSA-N 433.889 -0.607 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840033003 QIPGVUYGOACTSV-HWPZZCPQSA-N 445.270 -0.259 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840487710 UAEZCHSXWYYTAW-GUWAZMKPSA-N 446.508 -0.681 50 20 IBGD COc1ccc(S(=O)(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1OC 728178148 UQJCRGMRUKCNEZ-LBPRGKRZSA-N 435.524 -0.526 50 20 IBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728328609 WPTMVRMHVAANPH-IUODEOHRSA-N 441.462 -0.669 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1CCCO1)c(=O)n2Cc1ccccc1 764697679 JVDYVSWEDVQBPE-HNNXBMFYSA-N 440.460 -0.246 50 20 IBGD O=C(NNC(=O)c1cnn2ncccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 765183851 CNPYZDUIMSVKKN-UHFFFAOYSA-N 430.446 -0.175 50 20 IBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(-c3cccs3)[nH]n1)c(=O)n2C 765567752 KDKZHIGHDKOQFY-UHFFFAOYSA-N 428.434 -0.654 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 771936265 AQMWGVHJARYMFT-LBPRGKRZSA-N 430.483 -0.632 50 20 IBGD NC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 781929753 JRDRUUDTCMAJLI-UHFFFAOYSA-N 433.446 -0.724 50 20 IBGD COC(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915894542 LSMZFGXACGTIGD-UHFFFAOYSA-N 428.467 -0.395 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1782212328 SNWRGEZYYHMRFO-FOIQADDNSA-N 434.497 -0.317 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1783343291 MNPRYJCOANFRJQ-XMZIXOGTSA-N 431.287 -0.412 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3)[C@H]2C1 1783588272 RLEZXICPJFEVMS-WBAXXEDZSA-N 430.509 -0.626 50 20 IBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1786406150 KVABMYWBLUDHOU-YXWQFLTLSA-N 434.331 -0.598 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1788607896 TVSMFHRLHSJVKK-KKXDTOCCSA-N 439.476 -0.689 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H](F)Br 1789922704 ORZPDQXNXFGOJZ-CYUUQNCZSA-N 443.078 -0.350 50 20 IBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293345 XTRULAZQHGTPGI-XSLAGTTESA-N 434.541 -0.128 50 20 IBGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(F)c1 1794450934 HYHDNXYJHIGVFK-ZSBFGKGUSA-N 443.240 -0.574 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1796441460 JOKLDBJWFCOOPB-GPVAFHQSSA-N 441.448 -0.893 50 20 IBGD COc1ccccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800627929 XETHGQNKRLLHPW-OPMZPASUSA-N 438.289 -0.179 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnsc1C1CC1)C2 1801011125 FNLSCQCBZHFVGJ-YWVIFJGQSA-N 436.538 -0.008 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1810303655 ULGSARZXQMTVFV-HNAYVOBHSA-N 449.475 -0.309 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1cnc(O)[nH]1 1810949270 WHYLWYVBAABELR-CRAIPNDOSA-N 435.249 -0.177 50 20 IBGD CN1CC(C(=O)NC[C@H]2CCN(C(=O)c3cnccc3C(=O)NN)[C@H]2c2cccnc2)C1 1813606129 GJWNBMVTXRCNTC-BEFAXECRSA-N 437.504 -0.039 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1830538638 LRHFNAYWDJETIP-XJKSGUPXSA-N 430.303 -0.235 50 20 IBGD CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830724879 IZWXDDTYLZOGOP-QFBILLFUSA-N 426.901 -0.183 50 20 IBGD NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733423 LVKHQIBNTUTBQY-DNVCBOLYSA-N 425.869 -0.545 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840030541 PADCRHSFFQBKPG-AHIWAGSCSA-N 432.315 -0.248 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840036067 DGNQKGYYOJGMEW-GDZNZVCISA-N 432.315 -0.248 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840153216 HOOLXQVAVUDPGF-YVEFUNNKSA-N 430.893 -0.970 50 20 IBGD CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 747843465 AQUYDMHWAKFVFY-UHFFFAOYSA-N 430.502 -0.041 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 757875832 WPMUYCFMTTYTNZ-QMMMGPOBSA-N 437.475 -0.643 50 20 IBGD NC(=O)CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NNc1ccccn1 760489288 GOLCABWPJZPNBX-ZDUSSCGKSA-N 435.462 -0.092 50 20 IBGD Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226093 FRTVKACIJBCUSL-GFCCVEGCSA-N 443.551 -0.428 50 20 IBGD Cc1cc(F)c(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 765126451 SAHDHZCLJRYWPH-UHFFFAOYSA-N 442.404 -0.970 50 20 IBGD NC(=O)c1ccc(OCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 766648033 GTXZWPFEOQNOJH-UHFFFAOYSA-N 439.472 -0.230 50 20 IBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)c1 776637228 HRKIKVZWHZLFBU-UHFFFAOYSA-N 441.510 -0.480 50 20 IBGD CN1CCN(C(=O)NNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 807381218 JEHZRULZDMKGHW-CQSZACIVSA-N 426.518 -0.120 50 20 IBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 808076067 LRNQETCGBKFKDZ-UHFFFAOYSA-N 433.508 -0.156 50 20 IBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 919888317 CBKKSYFSJZXTMZ-UKRRQHHQSA-N 444.535 -0.253 50 20 IBGD CCn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 933433139 CCVZJBYWIAZLTD-MWDDYTRKSA-N 435.440 -0.016 50 20 IBGD O=C(/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)NCc1ccco1 1779207668 VZYKJIWAJFALCX-GWKPYITFSA-N 425.869 -0.118 50 20 IBGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782646981 DXMFOXOGSOMMFV-SMDDNHRTSA-N 425.324 -0.009 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1783937408 KAVRJVQKLGVVAI-YCRPNKLZSA-N 432.525 -0.283 50 20 IBGD O=C1NCCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)cc21 1784092459 LSFJNVULVIAQIM-RKLWJJNISA-N 439.900 -0.790 50 20 IBGD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(F)(F)F 1784873766 RMFHQGHGWCKZBS-OWCBBSPXSA-N 444.215 -0.727 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1788470928 BCQHDZWNSBKWFR-XGZQDADWSA-N 440.266 -0.279 50 20 IBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791249327 IPEAZQHEPNQJNU-LXFSFDBISA-N 439.962 -0.452 50 20 IBGD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)nc1 1794426301 UQWIXRWWXYLHIO-BAESOJJISA-N 431.898 -0.712 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1)C2 1796441289 UWLKIMDUQBEJPV-QUSGHSACSA-N 427.465 -0.243 50 20 IBGD COC(OC)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803345293 FPPBPWGSXPPQRJ-AEFFLSMTSA-N 427.266 -0.300 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ccc[n+]([O-])c1)CC2)c1ccc(B(O)O)cc1 1815337243 PNBDENYEFLEMEQ-OAHLLOKOSA-N 438.274 -0.004 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829918319 BZUHNHIWXPXWQW-UWJYYQICSA-N 447.492 -0.676 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834475107 CAFDBJALTCIQOX-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1 1840350905 KAOIVPGBNAZTBH-VGOFRKELSA-N 441.293 -0.501 50 20 IBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733660393 GXKJXQVQHOOYCB-GFCCVEGCSA-N 432.524 -0.152 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 758042896 BVKVSLOHNPOELR-DZGCQCFKSA-N 446.551 -0.687 50 20 IBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(OCC(F)(F)F)c1 764426120 SZKBQXXQNYTCMC-GFCCVEGCSA-N 449.338 -0.084 50 20 IBGD CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2C1 764431737 FQMFXBIMCZFVNI-OAHLLOKOSA-N 449.464 -0.124 50 20 IBGD C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638048 WXXHSQOSWHNKFB-YUNKPMOVSA-N 428.449 -0.864 50 20 IBGD COc1ccnc(NNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 773730953 PCNDAWAWZCBGFL-OAHLLOKOSA-N 442.432 -0.419 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(N3CCC3=O)cc2)n(C)c1=O 799240450 TVGARGANNKADSC-UHFFFAOYSA-N 440.420 -0.977 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCCCCS(N)(=O)=O)c1 816810614 SRMNVNAHVMFVBC-UHFFFAOYSA-N 434.540 -0.063 50 20 IBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2CCCO2)o1 817214813 MHCSQRWZVFIRRO-VXGBXAGGSA-N 429.451 -0.064 50 20 IBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O 913573108 WVVLNSUCVSNKNP-UHFFFAOYSA-N 433.421 -0.188 50 20 IBGD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 918134367 KARDXZXEVCVXBS-KRWDZBQOSA-N 433.531 -0.553 50 20 IBGD CC(C)N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(C)C 1786984509 NJOUDOQAIBDSMQ-ZIBCJSCZSA-N 445.369 -0.018 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1[C@H]2C=CS[C@H]21 1790625125 UPXFSXVXHBBFLM-SOGVPGBCSA-N 428.319 -0.165 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 1794749602 SFDJVTVXICOQJQ-QUSGHSACSA-N 427.465 -0.243 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799276651 PAQVCFFQIGWMRR-IOFNBGNJSA-N 426.297 -0.123 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807054189 DXGJDMPTIKZUSJ-GQIGUUNPSA-N 447.540 -0.947 50 20 IBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830719322 BUPKTPRLXDZQSB-QCUYGVNKSA-N 432.901 -0.368 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1831870943 IZKUTDQBRYVGCN-IAGOWNOFSA-N 438.573 -0.428 50 20 IBGD C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312983 OPLRUHVANNNZBA-DNVCBOLYSA-N 433.933 -0.227 50 20 IBGD Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1834281705 OKORJMXEZVWIAS-JOCHJYFZSA-N 439.277 -0.546 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840155530 ADDNAIGKZQKPNS-BBRMVZONSA-N 426.919 -0.869 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840183865 FGAXCQZHJDHYJM-OAQYLSRUSA-N 448.524 -0.761 50 20 IBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1cnnn1 1840479192 OSFRQVXVKNWXML-UHIISALHSA-N 435.254 -0.619 50 20 IBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551217 QMXQKRMOWYDMLM-SWLSCSKDSA-N 441.344 -0.339 50 20 IBGD O=C(CC[C@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840588211 WZPPWPBUZKOBKQ-HTAPYJJXSA-N 446.309 -0.747 50 20 IBGD N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1840814011 JXKPIWUSVILRCU-NRFANRHFSA-N 442.476 -0.551 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 728178561 CLXCJVWVVSVGIQ-OAHLLOKOSA-N 446.551 -0.194 50 20 IBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN1C(=O)C(=O)N(C)C1=O 733125008 BVZBBYQIMUINFO-QMMMGPOBSA-N 427.211 -0.216 50 20 IBGD CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(F)c1Cl 741657099 OERDLHLABBGYIQ-YFKPBYRVSA-N 448.857 -0.176 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCC1 748247713 UXNBBYGJYUVRFZ-ZDUSSCGKSA-N 426.470 -0.004 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C 749351327 AYJIGRWMTNBAEK-UHFFFAOYSA-N 427.527 -0.410 50 20 IBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cn3nc(C)cc3[nH]c2=O)cc1OC 750206926 AZEHIKUOKXECKZ-UHFFFAOYSA-N 429.389 -0.034 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccc(I)cc1 754206933 JEOATUACYOUSKW-MRVPVSSYSA-N 425.248 -0.081 50 20 IBGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 763197025 YLDHIBQTUATREG-UHFFFAOYSA-N 444.517 -0.054 50 20 IBGD COc1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ncn1 763532368 XMEBMXPXKLYAMN-UHFFFAOYSA-N 427.465 -0.217 50 20 IBGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)cc2)CC1 764399898 NIFJZBGCGDPUSB-OAHLLOKOSA-N 449.508 -0.398 50 20 IBGD COc1cccc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)oc12 765732919 YJCLPOLQLBQHBW-UHFFFAOYSA-N 426.389 -0.350 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1C 766250887 VUVXTNWICAQRJH-ZIAGYGMSSA-N 444.579 -0.845 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771848122 XREYAVIITHFHHP-SUHUHFCYSA-N 447.897 -0.047 50 20 IBGD CC(C)[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCCS1(=O)=O 772629699 FHYQHAGDSBTCHG-OAHLLOKOSA-N 446.551 -0.242 50 20 IBGD CC[C@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 790139664 NRFKGAQIKQPNMO-MRXNPFEDSA-N 441.506 -0.013 50 20 IBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)CNC(=O)OCc1ccccc1 794063753 QYPXBJZHDUHFFO-DTDBQYNISA-N 444.444 -0.387 50 20 IBGD COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 797010944 IPBKSMFDVLHZAA-NSHDSACASA-N 448.201 -0.124 50 20 IBGD O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1 804867901 NZHOROGQDPFGPS-CYBMUJFWSA-N 428.375 -0.131 50 20 IBGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030512 BKSZFXUYESOAJY-IBGZPJMESA-N 445.505 -0.210 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1779033705 BPGGIJKGOFMLPK-VFNWGFHPSA-N 431.493 -0.055 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782042990 PXOBBGOUXDTWON-OAQYLSRUSA-N 426.234 -0.465 50 20 IBGD Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1Cl 1786981065 NYZYBBLBMIYCFT-JQFCIGGWSA-N 446.700 -0.340 50 20 IBGD Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)no1 1787489307 DOTSLFJOFWQNLN-XUXIUFHCSA-N 428.873 -0.109 50 20 IBGD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)n1 1792978099 BZBSQZLVZICGLI-IQOUGMIPSA-N 428.829 -0.199 50 20 IBGD Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737695 KNXVFIOYEIBZJV-HGKCTWBKSA-N 426.282 -0.766 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1cc(O)n[nH]1 1807282420 BQLMKKVNWXKCKS-KXBFYZLASA-N 435.249 -0.177 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978772 PQBTZASLEOBCTP-MRXNPFEDSA-N 427.310 -0.098 50 20 IBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)CN1 1812640366 BTJMWGVVSMABDE-ZWOKBUDYSA-N 436.277 -0.783 50 20 IBGD CN[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1)C(=O)O 1827050784 GLYQNRJGCMJKFT-MOPGFXCFSA-N 445.325 -0.338 50 20 IBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830537587 KWKQVEXXOWFGLL-WFASDCNBSA-N 441.344 -0.482 50 20 IBGD COCCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727849 IDBYGMNOVFKNJH-YJBOKZPZSA-N 430.889 -0.801 50 20 IBGD CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832314723 ZPKGFKWXLMICLZ-OAQYLSRUSA-N 449.508 -0.430 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc(O)nc(O)n1 1835075728 HRNZWBDWDYLTMT-AWEZNQCLSA-N 427.889 -0.327 50 20 IBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835544419 ISYAZIUOUCEDTN-SCLBCKFNSA-N 434.921 -0.466 50 20 IBGD Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935393 QEOWVXYDFPTELF-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837402666 KBLDCNZGZWJIME-IERDGZPVSA-N 440.541 -0.611 50 20 IBGD CNCCCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837865195 LBHDZWSNQYHQID-UHFFFAOYSA-N 431.342 -0.022 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838640756 UTQIBBFOOIBHMM-DOMZBBRYSA-N 433.234 -0.470 50 20 IBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839213583 MRUZTQJLRHPERN-GUYCJALGSA-N 432.315 -0.151 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840150365 KAGZFUOXPRENLD-KEYYUXOJSA-N 440.946 -0.623 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)cn1 1840183714 VQWMOROGMRCKNI-NRFANRHFSA-N 433.509 -0.167 50 20 IBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)CNC(=O)c2cccs2)cc1 726490321 XSURXADZKAHLSS-UHFFFAOYSA-N 427.533 -0.179 50 20 IBGD CN(C)c1ccc(NC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 743827266 BNBRCLGGYTUYJW-UHFFFAOYSA-N 428.453 -0.257 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 765322199 HTUNLUMTSYWDBD-QWHCGFSZSA-N 446.526 -0.526 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(O)nc3ccc(F)cc23)n(C)c1=O 766641768 BUDQJRFNJYDTRB-UHFFFAOYSA-N 441.379 -0.712 50 20 IBGD CCOC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 767185876 IDXCDKOZZHRASV-UHFFFAOYSA-N 434.496 -0.488 50 20 IBGD COC(=O)CC1(CS(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 767851114 NYMLEOCLYZLAEE-UHFFFAOYSA-N 433.346 -0.041 50 20 IBGD CCOC(CNS(=O)(=O)CBr)CNS(=O)(=O)CBr 782478139 NOAFGUCLNYCXKF-UHFFFAOYSA-N 432.156 -0.065 50 20 IBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 915685557 DAPSFWTYFOQCOO-RYUDHWBXSA-N 435.549 -0.127 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1782914100 FLRGYSYJKOKLNR-HXUWFJFHSA-N 430.266 -0.847 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccn4cn3)C[C@@H]21)c1cccc(B(O)O)c1 1786983299 MMZIYCSGPBSZHB-LRQRDZAKSA-N 448.288 -0.079 50 20 IBGD COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508147 JAWYFWXWHMSGQH-DZYDDEDGSA-N 448.480 -0.544 50 20 IBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1)n1ccnn1 1788609737 FJHKEHOZVCOECL-PYTWLRIVSA-N 442.480 -0.869 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1c(F)cncc1F 1789006931 XWUIBIDGKYANDA-YEWWUXTCSA-N 445.231 -0.053 50 20 IBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1O 1795739906 OLMXXIRJLUKNFR-CWPLJXCYSA-N 440.261 -0.402 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccn2ccnc12 1797452936 KKQHIMWCCZQFFG-HGKCTWBKSA-N 434.261 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 1797754465 YJFMNGOVQCYSGF-YYPYLOAXSA-N 425.848 -0.187 50 20 IBGD CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1802092178 YKLCBGINLZBBBI-XOIINTDNSA-N 426.514 -0.462 50 20 IBGD CN(CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)C(=O)C(=O)O 1812389370 ZPMKSYYQPAUKAS-GUTXKFCHSA-N 426.857 -0.770 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ncc1[N+](=O)[O-] 1830728046 NNODVGLUMNJBHC-CRAIPNDOSA-N 442.856 -0.032 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840183409 CNDZJIOBHBMUBU-HXUWFJFHSA-N 435.481 -0.770 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186077 ZCBOESIBXAJGOB-KSSFIOAISA-N 434.921 -0.930 50 20 IBGD CCc1sc(C(=O)NNC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C 736311199 DWSHESVHXCTKCC-KGLIPLIRSA-N 444.579 -0.533 50 20 IBGD COC(=O)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755842405 UXTIFOLXPGLQGN-UHFFFAOYSA-N 429.393 -0.927 50 20 IBGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C1 758040139 OEIOHYWIXKNNTA-FZMZJTMJSA-N 425.467 -0.731 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc3ccc(F)cc3c2)n(C)c1=O 759610431 UHOGENHFKQGUPE-UHFFFAOYSA-N 425.380 -0.418 50 20 IBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1OCC(N)=O 764165342 XDDUWAMZCYLJEP-INIZCTEOSA-N 428.401 -0.351 50 20 IBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)CCCc3cccs3)cnc2n(C)c1=O 764341571 PFPONDHCUHHFFD-UHFFFAOYSA-N 444.473 -0.198 50 20 IBGD COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764433428 NKDDUTMBMUVTRC-LLVKDONJSA-N 448.201 -0.124 50 20 IBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(S(N)(=O)=O)o3)CC2)cc1 765749663 PAZKCQCVXTUTGD-UHFFFAOYSA-N 435.506 -0.186 50 20 IBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 766275327 HYICMOOKSHWHTK-HUUCEWRRSA-N 425.511 -0.139 50 20 IBGD CCC1(CC)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2O1 787889648 PVSFWTCFTZZCOH-SNVBAGLBSA-N 428.467 -0.002 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nc(N(C)C)no3)nc2)CC1 812218288 CXTCDXJVZYSOOD-UHFFFAOYSA-N 439.502 -0.707 50 20 IBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 816510973 KYPDRFWLQRPDJO-GFCCVEGCSA-N 433.469 -0.076 50 20 IBGD COc1cc(N2C[C@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)cc(OC)c1OC 920435866 OPPJUVBZMBVDJS-GFCCVEGCSA-N 434.449 -0.165 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21)[C@H](F)Cl 1787445646 MKCBQGQERLBWQO-ABHRYQDASA-N 425.910 -0.074 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795687047 FWHHLYZKOLMUCB-WDAIWFPHSA-N 431.478 -0.759 50 20 IBGD CC(C)n1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795734107 CQYQDPWUFQMAQM-SCAQPMJSSA-N 427.270 -0.944 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC(=O)C(F)(F)F)c1cccc(B(O)O)c1 1798340265 UNCOIYLYBWLWEX-BTTYYORXSA-N 428.172 -0.276 50 20 IBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)N1CCN(C)CC1 1799348760 OTHPBQMNXBDFCV-SBJFKYEJSA-N 435.338 -0.098 50 20 IBGD Cn1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)cc1O 1804893283 PHQVVCAYFHJUBO-UZLBHIALSA-N 449.276 -0.166 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1807869244 ICFRJMIFVFARFI-CJNGLKHVSA-N 435.448 -0.168 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1819402182 SAWSVZPIPVVVHW-ZFWWWQNUSA-N 440.464 -0.007 50 20 IBGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1829682675 SJIYUYPAECRWRV-NRFANRHFSA-N 431.493 -0.055 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccon1)CCO2 1834485872 DHCQVGRUPXQYLK-YRXLECQKSA-N 444.448 -0.121 50 20 IBGD CC(C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927627 VQFLJAASHKBSRS-NRFANRHFSA-N 434.298 -0.749 50 20 IBGD O=C(Cc1cccs1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935755 PQFHAXQLURFABQ-NRFANRHFSA-N 444.318 -0.259 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077745 QEPLKVWNKACRCY-OAHLLOKOSA-N 444.916 -0.209 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1837209387 VDDVGNGCOMVFFA-YJBOKZPZSA-N 447.561 -0.641 50 20 IBGD Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838392628 DDIHQWGWQJMIBN-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1840183696 UURDZBLFABZFSG-GOSISDBHSA-N 443.888 -0.229 50 20 IBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1840319173 UXNATQXRPHGVPI-LRDDRELGSA-N 436.303 -0.170 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccc[nH]2)C1 1842015307 JABWHQVNRYBJBA-UHFFFAOYSA-N 439.476 -0.350 50 20 IBGD COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386013 UOUZXZAUBXLJGU-UHFFFAOYSA-N 428.530 -0.368 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 728598020 ZNJRUCKKKBVISY-UHFFFAOYSA-N 434.497 -0.183 50 20 IBGD Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cs1 729274475 LWTHTSUZRMOUMO-QMMMGPOBSA-N 429.480 -0.076 50 20 IBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 731760732 YAPHDPDLABTMOU-UHFFFAOYSA-N 447.539 -0.646 50 20 IBGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2=O)n(C)n1 743510073 PGOWZCNNSQRYET-GFCCVEGCSA-N 448.509 -0.229 50 20 IBGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744398202 BUTYECBVQGAOOA-INIZCTEOSA-N 430.509 -0.522 50 20 IBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCNS(=O)(=O)c1cccs1 746721575 BSTGSPKIRVAZLY-UHFFFAOYSA-N 431.521 -0.152 50 20 IBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)S(=O)(=O)c1ccc(Br)cc1 748240318 RMADBKQDFUCFDG-UHFFFAOYSA-N 447.311 -0.161 50 20 IBGD CCn1nccc1C=NNC(=O)C[C@H](C(=O)NN=Cc1ccnn1CC)N1CCOCC1 753709622 OJIGHXDVXNDODM-GOSISDBHSA-N 443.512 -0.189 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)NC3(CCCC3)C2=O)n1 762382633 URKWSXWIJLIFSP-UHFFFAOYSA-N 437.478 -0.061 50 20 IBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766649852 KQHBBZATPMGPAT-UHFFFAOYSA-N 439.538 -0.737 50 20 IBGD C[C@H]1CN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCN1S(C)(=O)=O 776319984 NLLNHHWWABCALF-ZDUSSCGKSA-N 425.515 -0.601 50 20 IBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 793266584 PDPWLHJXRQWDAF-UHFFFAOYSA-N 444.535 -0.008 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799368788 VZYLXSLUNBJWRL-UHFFFAOYSA-N 445.404 -0.404 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806564768 GPDPYTAGUBKRFC-NSHDSACASA-N 440.404 -0.194 50 20 IBGD Nc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnn1-c1ccccn1 815307649 SYBXQHOGWCKEBK-HNNXBMFYSA-N 438.400 -0.006 50 20 IBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1779531082 XMGSOXXIMCSNCH-QXATTWAWSA-N 443.309 -0.815 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1O)C2 1782209067 JFWRENLCYRRNTC-IIBYNOLFSA-N 449.508 -0.414 50 20 IBGD CC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(C)(C)C 1783933381 IXLUZLHVHXHXFB-RXVVDRJESA-N 439.557 -0.260 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785032364 ZJEMLVZLGJVYSM-RHYQMDGZSA-N 431.287 -0.699 50 20 IBGD N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)c1ccccn1 1786979520 UOGFMVUCOKBUKA-UHMOLFJZSA-N 438.293 -0.945 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnnc(Cl)c1 1794213387 GIVFQJLEUAFKNC-XOIINTDNSA-N 430.657 -0.673 50 20 IBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1F 1795732586 YFSLELUCWKMCGV-CCWDJLKJSA-N 427.241 -0.274 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797793130 LDCRLEVFQFDBEJ-SWMGHYKJSA-N 449.298 -0.146 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358735 JKIZJNGYAFVDRX-QDMKHBRRSA-N 448.480 -0.232 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803138305 IZBDLDWUEGZODU-KCQAQPDRSA-N 434.817 -0.588 50 20 IBGD Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1804745277 DSWDKBOAFHAJJU-KBXCAEBGSA-N 449.475 -0.158 50 20 IBGD CC[C@H](NC(N)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966556 DGLCZKUICUBHAR-KRWDZBQOSA-N 430.314 -0.342 50 20 IBGD CN[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1)C(=O)O 1817369856 UMFRQCLUZQIPLV-ZIAGYGMSSA-N 437.501 -0.163 50 20 IBGD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)N1 1817470967 AUZPOJPHXPLXMD-GOEBONIOSA-N 425.254 -0.326 50 20 IBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)sc2C1)c1ccc(B(O)O)cc1 1827381314 CSTVHQXRFRZCEV-WVZRYYJFSA-N 427.291 -0.059 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829927677 HZGRNZYUXYJVQX-UZLBHIALSA-N 426.514 -0.615 50 20 IBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1830042417 IPVQAERPBPLBDB-INIZCTEOSA-N 435.319 -0.501 50 20 IBGD O=C(C[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832341244 QEKVKSQQMJXLQL-UGKGYDQZSA-N 446.309 -0.604 50 20 IBGD N[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1cccnc1 1835823967 FYBXRWWHKUKDBE-GJYPPUQNSA-N 426.901 -0.472 50 20 IBGD CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927521 RHQFPZLHPBFXRW-XLIONFOSSA-N 436.339 -0.609 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1835935565 UGKIEHFOSYUOQQ-IBGZPJMESA-N 449.656 -0.608 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCC3)C2)C1 1837461615 ZYJPPMAXSMSNJZ-OAQYLSRUSA-N 431.493 -0.055 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)N1CCN(C)CC1 1840189520 WFPLVGKDVFHDLY-KDOFPFPSSA-N 437.368 -0.118 50 20 IBGD NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCCl)CC2)cc1 726867915 FVDKWGOXMKVWRM-UHFFFAOYSA-N 445.972 -0.401 50 20 IBGD CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 729276762 LMJFWCKBIAYQST-ZDUSSCGKSA-N 446.551 -0.194 50 20 IBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 733660946 YXVUZFCCGCLLOB-ZDUSSCGKSA-N 448.571 -0.533 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 744550531 ZZXJKRHDWWXADZ-KRWDZBQOSA-N 434.412 -0.017 50 20 IBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748247424 NZIHOAREFSFMLU-UHFFFAOYSA-N 432.886 -0.352 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 757620043 ZVLREHFSHWROLU-NSHDSACASA-N 427.483 -0.314 50 20 IBGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)CNC(=O)c1cccnc1 763826239 XQUOSKCQFGDXMX-XFXZXTDPSA-N 431.474 -0.061 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)OC)c(=O)n2Cc1ccccc1 918015904 AUWAEUZGXBEPBX-ZDUSSCGKSA-N 428.449 -0.390 50 20 IBGD CC(C)(C)n1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1 1780356418 VIOAWXMWFPLURT-OAQYLSRUSA-N 441.297 -0.530 50 20 IBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783355698 XDALRKPYJPZYBL-WMLDXEAASA-N 436.347 -0.724 50 20 IBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983886 VFXTWBABPMWCOE-XTBFLFJDSA-N 439.115 -0.257 50 20 IBGD O=C(CCc1cc(F)ccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794025625 MMZUCMKPALCMKW-VPTLXERWSA-N 441.268 -0.264 50 20 IBGD CN1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1797838328 PSGHBWMWZIPPIM-MUJYYYPQSA-N 429.525 -0.816 50 20 IBGD O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1812640423 FAAMAEQONZIOLG-ABSDTBQOSA-N 436.277 -0.783 50 20 IBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1)[C@H](O)CCl 1814867406 KDCFOQXGTPOGNW-ZIAGYGMSSA-N 447.945 -0.268 50 20 IBGD C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2)n1cncn1 1826786861 RNZONUWVAGRWBP-RISCZKNCSA-N 440.294 -0.099 50 20 IBGD O=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)CC2)=NN1 1827051799 FTUJLPVKLDMOQO-SFHVURJKSA-N 426.282 -0.524 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1830546970 YDSOAPMGPLTMKO-WWGRRREGSA-N 445.318 -0.279 50 20 IBGD O=C(c1cnn(-c2cccnc2)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724942 KEWUIGOMNGSKAA-YLJYHZDGSA-N 449.895 -0.063 50 20 IBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832474875 QHBXMORAMMKGCH-SCLBCKFNSA-N 430.889 -0.598 50 20 IBGD Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)s1 1833800384 QMOZNVGTTFIIFU-HXUWFJFHSA-N 445.306 -0.485 50 20 IBGD O=C(CCc1ccc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935851 VBWHOIFBXFAHIF-QFIPXVFZSA-N 441.293 -0.603 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836019220 XNWYLVBUVTWYSP-NRFANRHFSA-N 435.525 -0.223 50 20 IBGD CN1CCN(C2(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](F)Cl)C4)C3)CC2)CC1 1839106775 BDUHAHNEBKKEGC-MAUKXSAKSA-N 432.924 -0.243 50 20 IBGD COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416194 JPIYFDDGLTVTQC-DXRSZSRVSA-N 432.481 -0.525 50 20 IBGD CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728373145 YRCCYDXDUPGBSS-UKRRQHHQSA-N 443.547 -0.115 50 20 IBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 764401402 WCLVDMAWBXHVFO-GFCCVEGCSA-N 442.494 -0.393 50 20 IBGD CNc1nc(C)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 806306235 JTQSYGIJSUGVHJ-UHFFFAOYSA-N 434.478 -0.078 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778094112 BCLLOGSYBOSLKW-LXPZDEJYSA-N 443.460 -0.278 50 20 IBGD Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)o1 1786980914 DNPKJDSRUDIGRX-SZMVWBNQSA-N 427.266 -0.122 50 20 IBGD Cc1ccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)c2c1 1795734841 XZOFMXWAHLFPOD-UPHUGPLXSA-N 448.288 -0.160 50 20 IBGD Cc1nc2ccccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738700 ATIQCANYVKEFFE-XEMDLRDOSA-N 448.288 -0.160 50 20 IBGD CC(C)(C)OC(=O)NCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799255282 MOXCTOXWHDDXCE-HLPPOEQASA-N 449.932 -0.283 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1801014430 QQCVHPXIEPXUJT-FAQVEIGNSA-N 443.504 -0.100 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(N)=O)n[nH]1 1821950845 GRUZPZKIEPKRBN-CQSZACIVSA-N 428.453 -0.020 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048742 GARHNSXZPRINNY-GUYCJALGSA-N 449.346 -0.113 50 20 IBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830545921 OKRSDKOGCRDYLU-MLGOLLRUSA-N 436.303 -0.170 50 20 IBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835592580 QLUDAHDNCLARAC-XXHMAFKTSA-N 448.524 -0.872 50 20 IBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835747221 JITHCTJXCIZJGV-ZLIFDBKOSA-N 439.340 -0.728 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1840187233 OPWAKEOCAOWLQG-MSOLQXFVSA-N 432.468 -0.139 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)N1CCN(C)CC1 1840189522 WFPLVGKDVFHDLY-RDTXWAMCSA-N 437.368 -0.118 50 20 IBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)n1cnnn1 1840479191 OSFRQVXVKNWXML-SUNKGSAMSA-N 435.254 -0.619 50 20 IBGD O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 10292239 FUIZDFIKVGTPIG-UHFFFAOYSA-N 430.446 -0.556 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCSc3nnnn3C)cc2)CC1 728215626 HWJRMYLQLHHUJW-UHFFFAOYSA-N 440.555 -0.228 50 20 IBGD COc1ccc(Br)c(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 728527227 CNTVBXKRNNHARE-UHFFFAOYSA-N 446.283 -0.069 50 20 IBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)cc1 745148203 DLDNRUPOWWJZQQ-UHFFFAOYSA-N 441.487 -0.055 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)c1 746300452 UTHSUIBZFSWWSI-UHFFFAOYSA-N 425.199 -0.474 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 755938289 PMTMCPOEYKAORM-VIFPVBQESA-N 432.890 -0.633 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(-c3ncco3)cc2)n(C)c1=O 757802647 YYAWGXDZBZSWRD-UHFFFAOYSA-N 438.404 -0.058 50 20 IBGD CN(C)C(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760213945 SZYKWSNGZZGZTE-SNVBAGLBSA-N 439.416 -0.080 50 20 IBGD Cc1cc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)n[nH]1 768275993 HNBOXOWLCUETGT-ZDUSSCGKSA-N 443.507 -0.739 50 20 IBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(C)(C)CO)c(=O)n2Cc1ccccc1 776616513 ZADKJFGYIVSUIJ-UHFFFAOYSA-N 442.476 -0.406 50 20 IBGD Cc1c(NC(=O)C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnn1C 784231027 WMTUVCYFCOOLHA-UHFFFAOYSA-N 435.510 -0.254 50 20 IBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c2ccccc2O1 785068031 RKKSHYKFSOFVFY-MRXNPFEDSA-N 437.412 -0.009 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N2C(=O)CCC2=O)cc1 1117735689 LSQKDKMZFARTAF-UHFFFAOYSA-N 444.473 -0.235 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1779031756 XGIPRDBCCGYBFH-UWJYYQICSA-N 439.476 -0.776 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961576 UHSLOTQWGPVMQS-OAQYLSRUSA-N 435.249 -0.834 50 20 IBGD CCc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1F 1786984563 OQMNJLUXEDMAIL-QRTARXTBSA-N 444.272 -0.302 50 20 IBGD Cc1c(F)ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1N 1795737442 GDTCWNHVBOIQJN-YVWYUNDQSA-N 441.268 -0.087 50 20 IBGD C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740929 QHMDWSYVUXMZNG-REGYPHIPSA-N 439.277 -0.568 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccccc2n1 1796826899 JLYXLDRCTPZGCW-HBCWATKFSA-N 449.471 -0.150 50 20 IBGD O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808935338 RQUNFUUHZNCTKU-FXAWDEMLSA-N 434.265 -0.627 50 20 IBGD O=C1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CN1 1809977976 ODVWPFOBQMPTRD-KRWDZBQOSA-N 427.310 -0.263 50 20 IBGD O=C(Cn1cncn1)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052857 KSQGGGWDDKJYPI-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C(/C=C/c1ccoc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832644924 CMKMWBVPCBNQAA-BGDOBLQISA-N 440.261 -0.257 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1835933494 ALEBLWVPLKXBDT-INIZCTEOSA-N 432.616 -0.732 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1837717390 DYFIICDRXQEANG-KXBFYZLASA-N 427.574 -0.180 50 20 IBGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2)nc1 725874379 XSALSTVNLWGKCW-UHFFFAOYSA-N 431.478 -0.465 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccc(Br)s1 729277207 VKNZGJOYLBNJOC-LURJTMIESA-N 427.302 -0.675 50 20 IBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cc(N2CCCS2(=O)=O)ccc1F 756154438 GZGYDAAGJPUYQI-SNVBAGLBSA-N 434.471 -0.047 50 20 IBGD COc1ccc(OCC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 756660114 SRNZZRRRLPFALM-UHFFFAOYSA-N 432.437 -0.018 50 20 IBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(I)c1 758037936 AWEQMEJPDQPFDI-SSDOTTSWSA-N 441.247 -0.002 50 20 IBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc2n(c1=O)CCS2 765737465 ZMCNHEGJTZZSID-UHFFFAOYSA-N 442.501 -0.432 50 20 IBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)n[nH]1 768274223 PUYYAUIBHTYIFS-UHFFFAOYSA-N 433.450 -0.442 50 20 IBGD CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 785060270 HNVJEPPNHHOFCE-UHFFFAOYSA-N 444.473 -0.087 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCc3c(O)cccc32)n(C)c1=O 789814567 UJMSTWIMRSCVEG-CYBMUJFWSA-N 426.433 -0.593 50 20 IBGD Cn1cc(C(=O)CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 793683983 YBAKEQIPVIIODE-UHFFFAOYSA-N 426.477 -0.012 50 20 IBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 795780592 SUPDVZKWLFBQPG-IBGZPJMESA-N 432.389 -0.180 50 20 IBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814590777 SSUNOXUMHSWQLO-CYBMUJFWSA-N 429.437 -0.475 50 20 IBGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319302506 XPMRPDJAAFCRQV-CYBMUJFWSA-N 429.520 -0.358 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CBr)CCO2)C1 1778780645 HHBXSFRTJQVBCX-XHBSWPGZSA-N 436.303 -0.088 50 20 IBGD CSCC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213958 CLPNTARLUQSELE-JXXFODFXSA-N 444.598 -0.013 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)nc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978648 HTBRVIBBTUUWEL-JQFCIGGWSA-N 444.684 -0.283 50 20 IBGD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788726138 BFHUMXPKLOYJNA-QAETUUGQSA-N 435.529 -0.733 50 20 IBGD Cc1nccn1[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791703338 XPYPDJPHBXZSKM-HSCHXYMDSA-N 440.309 -0.274 50 20 IBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1792868791 PGBRLHBAYRWABY-NJBDSQKTSA-N 431.287 -0.841 50 20 IBGD Cc1cc2nnc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)c3ccc(B(O)O)cc3)C4)c(C)n2n1 1797438893 NPOMTEMSVKJYFQ-BCDXTJNWSA-N 448.292 -0.013 50 20 IBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccc1O 1798954719 MEPDKFBAKMEOND-YVWYUNDQSA-N 434.493 -0.023 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1801011724 YFODMQLMUWXXAZ-CCWDJLKJSA-N 429.481 -0.695 50 20 IBGD O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)CN1 1817475769 STWSJEJOAVTLLC-BBRMVZONSA-N 425.254 -0.469 50 20 IBGD NNC(=O)c1ccncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)[nH]n1 1819403986 RBAXUUVCYZDPKH-ABAIWWIYSA-N 440.464 -0.150 50 20 IBGD O=C1CCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835408019 SIWRGDXJSCSRKD-QGZVFWFLSA-N 432.315 -0.150 50 20 IBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1)C(=O)O 1835763004 UCYVADJPUNCWMC-GMXABZIVSA-N 440.266 -0.804 50 20 IBGD Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929493 RHFJMDQLDNGOGX-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968332 MBYMDTYURMMDAS-UHFFFAOYSA-N 436.517 -0.955 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)(C)C)C2)C1 1840182619 OHCINNIBILXIBY-HXUWFJFHSA-N 428.530 -0.369 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846383865 CWBCTOWANTYOLZ-AWEZNQCLSA-N 441.529 -0.552 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 729275127 LPBCQZHKHSHBNM-JQWIXIFHSA-N 438.462 -0.840 50 20 IBGD CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 732755228 RDNCZPVUTKCHPR-GJZGRUSLSA-N 442.563 -0.016 50 20 IBGD O=C(COC(=O)CN1CC(=O)Nc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 733612255 RRPHBQAKNRFWSG-KRWDZBQOSA-N 440.412 -0.024 50 20 IBGD CCc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 754000646 CRFMYKRNENZTBI-UHFFFAOYSA-N 444.473 -0.553 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 764228541 XYVXDNVOLMOKNE-NSHDSACASA-N 442.494 -0.406 50 20 IBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 764319480 FVRAFGXDCPQJBD-STQMWFEESA-N 431.515 -0.800 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 780397840 RUNGWWRWRHXJGL-UHFFFAOYSA-N 436.512 -0.229 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3(S(C)(=O)=O)CC3)nc2)CC1 793269301 KGPFXINHTHCFBG-UHFFFAOYSA-N 446.555 -0.779 50 20 IBGD CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 919690995 XZXFNJNPUFKUIF-UHFFFAOYSA-N 426.904 -0.534 50 20 IBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 920383891 HONQTBAKZYEDJF-CYBMUJFWSA-N 432.528 -0.347 50 20 IBGD CN1C(=O)C(=CNNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C(=O)N(C)C1=O 920975664 JEZPPIIOCVHYJM-UHFFFAOYSA-N 435.462 -0.360 50 20 IBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnc3sccn3c2=O)CC1 1318894543 YEAGRSOLIXNREG-UHFFFAOYSA-N 449.518 -0.156 50 20 IBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1783882127 OFHLKOFOVGZYNH-BFUOFWGJSA-N 435.868 -0.213 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccn(C(F)F)n1 1788938957 XAIOJKVRLIMBHV-QRTARXTBSA-N 448.235 -0.135 50 20 IBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1789092682 IFJPPNOKVRYJHN-AVWBDOJWSA-N 444.261 -0.141 50 20 IBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nn1C 1791290689 LLKIAFVVTZUCPU-DZKIICNBSA-N 436.513 -0.605 50 20 IBGD CN1CCN(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CC1 1795883450 QKTRPTAIMSBXKS-ACDBMABISA-N 428.342 -0.744 50 20 IBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@H]2C1 1797633744 CLFMUOJEKPDMFW-OUSZYSOSSA-N 442.520 -0.772 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655827 FLCSMCXOQOETQN-QHBPRCKVSA-N 438.403 -0.946 50 20 IBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798477045 ZBYYJYTVYSBFRU-YYIAUSFCSA-N 440.497 -0.508 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1c[nH]c(=O)cn1 1811450652 FBWMVIPITOIFJY-OXQOHEQNSA-N 447.260 -0.522 50 20 IBGD O=C1NC[C@@H](C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)O1 1817470343 PGYPKWZOFIXQRD-GJZGRUSLSA-N 427.226 -0.496 50 20 IBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737234 FROUWHWQSCCCHT-KSVNGYGVSA-N 444.912 -0.202 50 20 IBGD C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)n1cnnn1 1832285581 RFEQMURAUVNLRK-DNVCBOLYSA-N 440.313 -0.153 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cc(O)no1 1835975207 ARFASJZKWDIMMX-UHFFFAOYSA-N 442.281 -0.441 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142127 OSWNZQGRQZDWDH-WFASDCNBSA-N 431.291 -0.840 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837461516 XAJPHZOSPFNYJK-INIZCTEOSA-N 447.826 -0.413 50 20 IBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839641419 HOOICZRWEJNATA-BTYIYWSLSA-N 448.524 -0.905 50 20 IBGD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840033329 ANZJSZVEKKQFGZ-PBFPGSCMSA-N 449.346 -0.066 50 20 IBGD O=C(CCn1cncn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840358561 OTDISKROLVSHKH-ZFWWWQNUSA-N 434.266 -0.185 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 725870186 CEEFAGLYWVWKIV-UHFFFAOYSA-N 434.453 -0.015 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccs2)n1 728721745 FWWLQNXWHYOGEB-UHFFFAOYSA-N 432.505 -0.275 50 20 IBGD COc1ccccc1OCC(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 732050396 UGUGRFBFYWNYPC-GOSISDBHSA-N 434.493 -0.065 50 20 IBGD O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)C(=O)NC1CC1 745838839 OUCCGBKXPDMMEU-IBGZPJMESA-N 449.467 -0.074 50 20 IBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)o1 746393041 VZQVQSXRUWBHQZ-KBPBESRZSA-N 440.522 -0.082 50 20 IBGD Cc1c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 747885592 HQDVRSKEHVVIGV-UHFFFAOYSA-N 449.468 -0.591 50 20 IBGD COc1cc2nc(C)sc2cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764225586 ARAKHXWEYJWBOR-ZETCQYMHSA-N 429.480 -0.363 50 20 IBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(OCC(F)(F)F)c1 764426122 SZKBQXXQNYTCMC-LBPRGKRZSA-N 449.338 -0.084 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccc([N+](=O)[O-])cc2)n(C)c1=O 765728400 PLCJJAQUFRCDCX-UHFFFAOYSA-N 447.433 -0.718 50 20 IBGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(OC)c1 783999207 BLCUKWBVTNKRKN-UHFFFAOYSA-N 444.448 -0.343 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1cccc(I)c1 787885980 IRSQBYBSNIQHJN-MRVPVSSYSA-N 441.247 -0.245 50 20 IBGD O=C(CN1CCC[C@H](N2CCCS2(=O)=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 789369746 CDHCZTOHLLNIJA-HNNXBMFYSA-N 425.467 -0.144 50 20 IBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 801109090 UVIHWMGTGBGHIY-LJQANCHMSA-N 431.449 -0.303 50 20 IBGD Cn1nnc(Br)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 811451112 YLOYHEITEHJVFE-SNVBAGLBSA-N 440.210 -0.278 50 20 IBGD Cn1nc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1=O 863950041 MVFBDRIFRAFIIW-UHFFFAOYSA-N 449.489 -0.805 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)[nH]1)C2 1779372631 QFLRYWDVZYIZGS-FOIQADDNSA-N 443.464 -0.445 50 20 IBGD COc1ccc([C@H](O)C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc1 1783932879 IHLCARPOGJUIFY-RBBKRZOGSA-N 448.520 -0.069 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1783937884 YHJINPFVIOFMHM-XMSQKQJNSA-N 432.521 -0.207 50 20 IBGD CCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794886565 QDOBADHKLQUGGL-FVCICTRLSA-N 427.465 -0.582 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C3CC3)c1F)C2)c1ccc(B(O)O)cc1 1795732519 PTXLAWDQLNSKAH-XOIINTDNSA-N 442.256 -0.377 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1C)C2 1796440994 IOUVSKNUDYXCDE-NDMOTNCASA-N 427.465 -0.243 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796446155 NKHSHPZDNNRARH-SVQFQIBWSA-N 439.900 -0.036 50 20 IBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1cc(=O)n2[nH]nnc2n1 1816668804 SDLOQSXNYBWDAA-HZGVNTEJSA-N 438.857 -0.905 50 20 IBGD CN(C)C(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795669 RASINEHAZLGJFO-VIFPVBQESA-N 431.478 -0.544 50 20 IBGD CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)no1 1832784002 SZIKGNBZMZMGAQ-FZKQIMNGSA-N 430.889 -0.208 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnnc3)CC2)CC1)c1ccc(B(O)O)cc1 1834797433 KPXSIAZMYDFDCV-UHFFFAOYSA-N 437.309 -0.345 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cnco3)CC2)CC1)c1ccc(B(O)O)cc1 1834797485 NOQSITFXDSFGCM-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1835932174 ROASVIZCXNNPEU-IWQHBPENSA-N 444.293 -0.996 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1835934401 RHQJDAMLMOARRR-OAQYLSRUSA-N 448.350 -0.420 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837411025 UGSYFLSAYANXNI-GHTZIAJQSA-N 430.266 -0.871 50 20 IBGD C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837478063 WPXIXOANINYJIE-IYOUNJFTSA-N 427.889 -0.667 50 20 IBGD O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838117004 JOEAZYLUEGYMAZ-UZLBHIALSA-N 449.895 -0.063 50 20 IBGD COC1(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CCC1 1840186057 XXGRUOICPKHCRE-NRFANRHFSA-N 440.541 -0.225 50 20 IBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733570028 JGMYCHMJSDRSEM-UHFFFAOYSA-N 426.769 -0.927 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 756838344 MAXSMGFVKWZTAU-MJBXVCDLSA-N 426.474 -0.277 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 756874547 RGMBBDUUGUQTAS-GFCCVEGCSA-N 443.482 -0.985 50 20 IBGD CCCCS(=O)(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 760690834 RNWFJQFWTZFCLB-AWEZNQCLSA-N 429.451 -0.764 50 20 IBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 764317544 KARRUYSKRHRDMT-UHFFFAOYSA-N 441.510 -0.865 50 20 IBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 764345779 VLSQFHOBXAXCEZ-CYBMUJFWSA-N 437.503 -0.126 50 20 IBGD O=C(O)c1cc(Br)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 769627339 ULGQMPQFHRWZPO-RXMQYKEDSA-N 447.310 -0.047 50 20 IBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 770952656 PBXHNGNCMPVEIW-GFCCVEGCSA-N 449.489 -0.280 50 20 IBGD C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NNC(=O)c2cnn[nH]2)C1=O 771466808 LTTKLPHVYKLXFG-OAHLLOKOSA-N 436.226 -0.205 50 20 IBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 779526355 RRHYRVUICYYWTI-MLGOLLRUSA-N 426.495 -0.574 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514537 GAFOWCPUMIVUCH-ZMZPIMSZSA-N 427.479 -0.070 50 20 IBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806979372 SAXOROPWFZLBGM-NSHDSACASA-N 430.408 -0.061 50 20 IBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 817053024 ZYSBUODBWVQVQF-UHFFFAOYSA-N 432.462 -0.361 50 20 IBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 920380112 GVFNFTFYTWBRQX-HNNXBMFYSA-N 444.535 -0.082 50 20 IBGD COCCN1C(=O)c2ccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc2S1(=O)=O 1251126323 IWZWTDFGRDVZEQ-CYBMUJFWSA-N 445.519 -0.417 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)c1 1319868731 AVORTKSQXOOVCF-CQSZACIVSA-N 442.494 -0.197 50 20 IBGD Cn1nncc1NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1327874820 QGVUJFRVOQFOGZ-UHFFFAOYSA-N 448.509 -0.201 50 20 IBGD CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781200741 PVYMOVLIKPSELY-KUHUBIRLSA-N 449.932 -0.043 50 20 IBGD CN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1783596689 VLHJXKWALQFSOZ-IHPCNDPISA-N 429.326 -0.699 50 20 IBGD C[C@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784549944 OLKODKKJUIZVMR-KSFYIVLOSA-N 439.277 -0.328 50 20 IBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1 1788764148 AHJJIMMTHWXJSX-QAETUUGQSA-N 429.590 -0.031 50 20 IBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1793317507 CRBRRJDYZOBJKW-NJMOYASZSA-N 440.360 -0.313 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ccn1)C2)c1cccc(B(O)O)c1 1795740322 SNKVYRQOWAKYSP-ZSBFGKGUSA-N 429.669 -0.068 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)cncc1F)C2 1797751643 LDHQSENMFFYZRH-YQYWCBKUSA-N 446.414 -0.125 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797968130 KTMNABQZYBTGQB-QDMKHBRRSA-N 445.524 -0.359 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799152172 AWMJBBUALJZKPF-QYRAFCHESA-N 449.552 -0.650 50 20 IBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830358511 WVNFERAJTZCHFX-FQEVSTJZSA-N 438.717 -0.299 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3CCCOC3)CC2)CC1)c1ccc(B(O)O)cc1 1834800511 ITFVXQMLPIXFBG-SFHVURJKSA-N 443.353 -0.022 50 20 IBGD O=C(C[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934066 LSMGDJQXKFIMGV-KNQAVFIVSA-N 446.309 -0.604 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840183832 CGAYLFZFYRPYIO-NRFANRHFSA-N 433.509 -0.547 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1840184521 RVLPNKMZYAHDCN-FQEVSTJZSA-N 437.472 -0.336 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2ccc(S(N)(=O)=O)cc2)n1 728734372 ZFMBFRUAYQCBTH-UHFFFAOYSA-N 442.475 -0.589 50 20 IBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 734240953 XOWBLUIPXMQKJE-CQSZACIVSA-N 442.517 -0.978 50 20 IBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(C)(C)NS(C)(=O)=O)cc2)CC1 743333997 CHKMZRVMWVMIRK-UHFFFAOYSA-N 433.556 -0.606 50 20 IBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cccn3C)cc2)CC1 747597358 OJMNJKHKDBDVPL-UHFFFAOYSA-N 433.490 -0.047 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 758037001 XISVWEWYSRAXJB-RYUDHWBXSA-N 446.913 -0.348 50 20 IBGD COCCCNC(=S)N(C)NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 768737800 WXLAIFPVFCJHAR-UHFFFAOYSA-N 434.540 -0.144 50 20 IBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 771867613 MSQCZVUOFKVSMI-GFCCVEGCSA-N 443.478 -0.181 50 20 IBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778436717 NZCLXLHMGFXWHX-SNVBAGLBSA-N 432.503 -0.624 50 20 IBGD COc1ccc(F)c2[nH]c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 793672565 CPZOZLCGFDOTMM-UHFFFAOYSA-N 443.395 -0.476 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)n1 806974598 DRUVFXVYARSOEO-UHFFFAOYSA-N 440.457 -0.325 50 20 IBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 815751640 HZZAVHXFHNMOEM-UHFFFAOYSA-N 437.482 -0.117 50 20 IBGD O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)N[C@@H]1CCS(=O)(=O)C1 920744788 FJIXGGGOHXHVMA-CYBMUJFWSA-N 444.535 -0.008 50 20 IBGD CCN1CCN(CC(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)C(=O)C1=O 1317982830 FLCUQHXTPZVJFG-UHFFFAOYSA-N 445.505 -0.441 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(=O)n1C)C2 1782209083 KAEATFMPNCJNOF-VGOFRKELSA-N 447.536 -0.114 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789877390 BCZQFAHSGLOKTG-UWFWABCNSA-N 432.481 -0.765 50 20 IBGD COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)C1 1795737707 LGXBBEHYQAWVDA-CWLGOENISA-N 444.293 -0.841 50 20 IBGD CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C(=O)O 1796892040 CKHMEQRQYVYRSL-VSNPHJFBSA-N 432.481 -0.179 50 20 IBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nn1C 1798320860 OADIVTZREVAYGS-CCWDJLKJSA-N 426.282 -0.821 50 20 IBGD NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1798354486 BFQKPKDNYSVXHK-PEGIJTEDSA-N 426.271 -0.436 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800638534 LIASCAIIBZMQDE-NYUBLWNDSA-N 432.521 -0.447 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)Cn2nccn2)CC1 1830430412 XKJOWFYAUHWXSW-LJQANCHMSA-N 425.298 -0.109 50 20 IBGD O=C(Cc1ccc2ncnn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734021 ZBZFKUOZNMOURN-KXBFYZLASA-N 437.884 -0.672 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830957566 CXFIERAHKZKEMH-LPHOPBHVSA-N 428.917 -0.019 50 20 IBGD NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833308508 UQICGPYFQVATQN-MRXNPFEDSA-N 437.928 -0.035 50 20 IBGD O=C(CC(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929297 KBACTHFLFQKXID-KRWDZBQOSA-N 430.188 -0.611 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1835940010 SOSHYZNONHQGPI-FXAWDEMLSA-N 434.323 -0.668 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837210949 AOZKKUYQFJMHSH-IAQYHMDHSA-N 428.269 -0.689 50 20 IBGD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837461534 YBRPLHXWUMIBHT-SPLOXXLWSA-N 447.492 -0.630 50 20 IBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189747 JXUGJEYCQQCFQZ-HNNXBMFYSA-N 427.354 -0.270 50 20 IBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845769443 JBDMXBBTWZXEKS-HNNXBMFYSA-N 436.277 -0.603 50 20 IBGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)cc1OC 29065515 IOZMDTHBXGDMNI-UHFFFAOYSA-N 433.509 -0.295 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 756796280 NRHFFVHNEAPPTR-UHFFFAOYSA-N 449.493 -0.122 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)N=c1cc[nH]cc1I 760030943 VAHUMVOZXBIPKI-LURJTMIESA-N 427.224 -0.802 50 20 IBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(Cl)nc1)CC2 764100128 WAFMVJNJZLMTPX-UHFFFAOYSA-N 437.865 -0.007 50 20 IBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 816880646 PAWFMNUPJSSBFO-CQSZACIVSA-N 428.449 -0.224 50 20 IBGD O=C(NNC(=O)c1nc2ncc(Br)cn2n1)c1ccc(-n2cnnn2)cc1 919839011 YINMYJMGWUJKRF-UHFFFAOYSA-N 429.198 -0.063 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1779029626 VZQNHBZNLUHXSS-HXUWFJFHSA-N 448.549 -0.823 50 20 IBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1781330531 YVABHGAZTKOPHR-NVXWUHKLSA-N 449.321 -0.329 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C[C@@H]21)c1cccc(B(O)O)c1 1786984265 WSYBXDKRTOWQSA-IHPCNDPISA-N 448.288 -0.079 50 20 IBGD CC(C)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)C 1795714157 IFLLOMFAFYCBBF-PIKOESSRSA-N 431.342 -0.408 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1F)C2)c1cccc(B(O)O)c1 1795741286 RYNUZMPEZRHLGS-VPTLXERWSA-N 442.252 -0.212 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1796440515 OJTZYNAHALXAIE-GWGBFROSSA-N 446.508 -0.958 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830762012 BVORMBAIQHKIPP-UTKZUKDTSA-N 439.557 -0.700 50 20 IBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1832025652 HQCJFVWTAAUGKX-KUHUBIRLSA-N 427.885 -0.225 50 20 IBGD CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1833429620 CSYSPRKNDPJVKI-KBXCAEBGSA-N 428.873 -0.455 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1cnnn1 1834826152 DIUPYLGQNRLEGT-DOMZBBRYSA-N 431.291 -0.525 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449688 OGYJVHYFJMSASV-VQIMIIECSA-N 433.933 -0.581 50 20 IBGD CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183607 OWRUARGZIRWZIJ-HXUWFJFHSA-N 436.513 -0.654 50 20 IBGD COCCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1=O 28196521 LYGRKVUGZIFLRJ-UHFFFAOYSA-N 449.489 -0.251 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 729274834 FIVXVMIILGFGBR-CYBMUJFWSA-N 446.551 -0.050 50 20 IBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 730672122 AOLVRXHGCKBEFY-UHFFFAOYSA-N 427.508 -0.354 50 20 IBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 746311091 XOZVVFDYPAMFPS-UHFFFAOYSA-N 425.405 -0.631 50 20 IBGD COc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1C(=O)O 749144235 VLCIZIUZAWDTFK-SSDOTTSWSA-N 441.871 -0.274 50 20 IBGD CO[C@](C)(C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1F 760448673 MRWQGWOFMMLYCC-IBGZPJMESA-N 432.412 -0.718 50 20 IBGD Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 763500749 LVLMRDJCUWKZHK-LLVKDONJSA-N 434.902 -0.252 50 20 IBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 763573484 SIVFFWXDRJUMNP-HNNXBMFYSA-N 448.457 -0.171 50 20 IBGD CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 769353756 ILFAPXKTEHTIPR-NSHDSACASA-N 433.433 -0.173 50 20 IBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)[C@@H](C)O)cc1 779526453 AJUHRFMDBGTPSM-DOMZBBRYSA-N 435.462 -0.796 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(Cc3noc(C)n3)nn2)cc1 784695590 OKOMKIUVGFNBBV-UHFFFAOYSA-N 448.465 -0.592 50 20 IBGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 792082409 CIYOZJHHHHWVNM-ZUZCIYMTSA-N 426.451 -0.286 50 20 IBGD CC(=O)OC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 807091465 LBEHOVNXZWLYFE-UHFFFAOYSA-N 440.522 -0.210 50 20 IBGD O=C1CN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Br)C2)C(=O)N1 1780770793 BOJWYVZUAJIOBM-AKWBHNSASA-N 449.277 -0.257 50 20 IBGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)CCC(=O)NN(C)C)CCO4)C3)(C1)C2 1783445715 GJXILKYOJBOWIH-XVAXZDLZSA-N 436.509 -0.467 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784034641 KOBFEARLZKZIPI-CESSLWIKSA-N 444.492 -0.524 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc2ncnn2c1 1788450378 LWMVJUCROKVQFE-WDSOQIARSA-N 449.276 -0.684 50 20 IBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21)NC(=O)NCc1ccccc1 1789726900 ZJMQWJIKOUJCSE-BZSNNMDCSA-N 432.525 -0.729 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)cn1 1794462468 NOBKKGVEJWZVKR-YVWYUNDQSA-N 432.525 -0.276 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(F)c1 1794849790 CKIMNIZWSQSWMY-FVCICTRLSA-N 428.424 -0.264 50 20 IBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccc1C=O 1795737538 SMKDCEQZCOVYHL-DFYYWFRZSA-N 439.277 -0.555 50 20 IBGD Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1F 1797749764 PRSUYWKQOIZLKX-QHBPRCKVSA-N 431.428 -0.627 50 20 IBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802163108 YUFSCSHNUPRZOM-DPIQGUFMSA-N 449.420 -0.608 50 20 IBGD O=C1C[C@@H](C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CN1 1815360079 LPVPFVVOYBALEI-DGCLKSJQSA-N 428.279 -0.815 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815598743 HYDPLCUEXONOAP-ZDUSSCGKSA-N 448.484 -0.673 50 20 IBGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)cc1O 1833410124 WJNRXZUEKOQOJS-DOMZBBRYSA-N 435.250 -0.114 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cn[nH]c3)CC2)CC1)c1ccc(B(O)O)cc1 1834798577 MQQAHYQRXHPJRZ-UHFFFAOYSA-N 425.298 -0.412 50 20 IBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397327 FWJLPKVHLUHQSO-YJBOKZPZSA-N 448.358 -0.052 50 20 IBGD Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nc1 1835935379 PQQICQNPEZNMMJ-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c(C)o1 1835935561 UGGHQZLDMRCPIF-JOCHJYFZSA-N 442.277 -0.040 50 20 IBGD C[C@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836907236 BPTDVCMFLBZYMG-OAHLLOKOSA-N 445.325 -0.510 50 20 IBGD O=C(c1c[nH]c(=O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199941 AHBSQJPWPXOLKD-WFASDCNBSA-N 433.234 -0.470 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840184126 UPOGWPJWOUMBHZ-OAQYLSRUSA-N 433.509 -0.547 50 20 IBGD Cc1cc2nnc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c(C)n2n1 1843013984 KPUSZDBARPHAMI-UHFFFAOYSA-N 434.265 -0.448 50 20 IBGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)[C@H]1COc2ccccc2O1 22084677 OYQKABFDNNJRLH-LLVKDONJSA-N 425.195 -0.714 50 20 IBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 729512257 GXDVNOSONZRDIJ-KFWWJZLASA-N 425.463 -0.660 50 20 IBGD CCOCCCn1c(NNC(=O)Cn2cc(S(N)(=O)=O)cn2)nc2ccccc2c1=O 733366039 YJUOSNWKBUJUOJ-UHFFFAOYSA-N 449.493 -0.190 50 20 IBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)N2CCOCC2)c1 745992011 RCNYTDDDPAPFFF-UHFFFAOYSA-N 441.510 -0.540 50 20 IBGD CS(=O)(=O)CC1(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 747067691 RFTFSLAOTMANNY-CQSZACIVSA-N 426.447 -0.268 50 20 IBGD Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 769268122 VNZCHKLFRALWNR-LLVKDONJSA-N 440.457 -0.597 50 20 IBGD CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 782079290 XQYKGBIHYMXYDU-CYBMUJFWSA-N 440.526 -0.559 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n(C)c1=O 814877775 ZKMNSDGUFRAKEM-UHFFFAOYSA-N 445.480 -0.063 50 20 IBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 913580674 LMIPLDWTFHYIKO-UHFFFAOYSA-N 426.414 -0.053 50 20 IBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 920240232 OHBJICKNYHKBQU-LBPRGKRZSA-N 446.555 -0.344 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783402025 ZTLXRSHRZYBCCI-HXUWFJFHSA-N 441.529 -0.286 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccnc(F)c1 1784736485 AEFWYQFKGWAPCR-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786405969 AVQAZTVCBRFYOJ-SRVKXCTJSA-N 440.298 -0.046 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795682457 QZFNSQJUVUIXGH-KYFSNAEOSA-N 432.525 -0.566 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2 1796440009 BBXMLDBAODTKEC-POKDIBPUSA-N 427.465 -0.324 50 20 IBGD O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797740935 GCGPPNHAOGPLEO-YAHCNQDQSA-N 428.298 -0.959 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 1797749783 SAAMTYYIYGWIMN-ZSBFGKGUSA-N 427.465 -0.756 50 20 IBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1cnnn1 1807367302 KBXJELSEJJJBSP-LSBZLQRGSA-N 449.280 -0.671 50 20 IBGD CN(C)C(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1814560916 IFNMKZNKEOZXFJ-INIZCTEOSA-N 442.285 -0.333 50 20 IBGD COCCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830728054 NYUXXNQZCUCTRA-CRAIPNDOSA-N 430.889 -0.801 50 20 IBGD C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933792 DNECIBSWAHUDAI-FQEVSTJZSA-N 434.323 -0.644 50 20 IBGD O=C(CCN1C(=O)C=CC1=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836713877 NDWLYWMSSKUBSK-INIZCTEOSA-N 441.912 -0.100 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840875453 MSTXLXVQXYYLFO-BTYIYWSLSA-N 447.492 -0.818 50 20 IBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 11670395 RRLBZOBHZJUCCP-UHFFFAOYSA-N 442.498 -0.440 50 20 IBGD C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276349 DAGAUGGIWOBLBR-BQBZGAKWSA-N 441.329 -0.286 50 20 IBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619872 BIWHEBJCAGXBFU-AWEZNQCLSA-N 432.524 -0.425 50 20 IBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 759284304 ZQNQJDIKLSBQLJ-CQSZACIVSA-N 428.511 -0.423 50 20 IBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 763440976 OYXSDCUKBHWMKM-LBPRGKRZSA-N 440.478 -0.244 50 20 IBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 763820874 LGXKUIQCPUEBCK-UHFFFAOYSA-N 444.448 -0.785 50 20 IBGD Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 765124294 LKVZXDBKQOHCFU-UHFFFAOYSA-N 440.869 -0.595 50 20 IBGD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1COc2ccccc2O1 798151327 JEQUXAMAHNJDEJ-AWEZNQCLSA-N 436.402 -0.140 50 20 IBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(O[C@H](C)C(=O)O)c1 814785604 YLDMHZCPBIWGJS-LLVKDONJSA-N 435.462 -0.037 50 20 IBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1781998082 SHHIWLLBZBTGAQ-GARXJVFOSA-N 448.358 -0.066 50 20 IBGD C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)n1cnnn1 1782214346 ODJAYYBVPPJERQ-SPYBWZPUSA-N 436.517 -0.879 50 20 IBGD CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1782918184 ZPJRFTBRIPKOKX-HXUWFJFHSA-N 445.476 -0.528 50 20 IBGD CC(=O)O[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(C)C 1788474373 DQBJSZSSKZUBOV-LEAZDLGRSA-N 446.309 -0.453 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(F)nc1 1788839849 ZQAMSLOMDIHIJC-SZMVWBNQSA-N 427.241 -0.192 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnn3)[C@H]2C1 1788854001 UAXRMXMEJATXHA-NUTKFTJISA-N 425.449 -0.618 50 20 IBGD Cc1ccccc1NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795697556 ZNVNVOXNRJTWOA-OPMZPASUSA-N 437.305 -0.010 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2 1797749585 GDZPEENEUZIRPU-FVCICTRLSA-N 428.424 -0.264 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1)[C@H](O)CCl 1803138790 FCRCIFXUVNSTHA-LNSITVRQSA-N 446.855 -0.873 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880246 HVAPIGUEFUNTJE-IFXJQAMLSA-N 436.428 -0.512 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1830538043 UMXJRVVJWYGTKX-IGCXYCKISA-N 449.346 -0.933 50 20 IBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731424 LMCKAFCSIRJOQT-FZTBZWDOSA-N 433.889 -0.429 50 20 IBGD CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1 1830732032 PKUSKFZUAQTVJT-KDOFPFPSSA-N 428.873 -0.455 50 20 IBGD O=C(c1cncc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929198 GWTLPAANNNIUBO-OAQYLSRUSA-N 443.240 -0.716 50 20 IBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)C(=O)O 1839152334 WOZGZFSQAGETIA-JLZZUVOBSA-N 440.324 -0.258 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840284334 FOYZUVUEIAJLEK-INIZCTEOSA-N 432.616 -0.732 50 20 IBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cccc1 1840350904 KAOIVPGBNAZTBH-JTSKRJEESA-N 441.293 -0.501 50 20 IBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 737065071 NBGYMTBWUIRXFL-UHFFFAOYSA-N 436.425 -0.615 50 20 IBGD Cc1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)nc2c1c(=O)n(C)c(=O)n2C 737765550 GMHNEQYYGFSCMG-UHFFFAOYSA-N 435.444 -0.169 50 20 IBGD O=C(NNC(=O)c1nnc(O)c2ccccc12)Nc1cnn(CC(=O)N2CCOCC2)c1 756836214 ULKKPKMMYXZTRS-UHFFFAOYSA-N 440.420 -0.143 50 20 IBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 763486299 JDUPIHGFJFOLGV-UHFFFAOYSA-N 437.519 -0.716 50 20 IBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 764434633 QYZAEBVPMBUGQT-IRXDYDNUSA-N 442.476 -0.169 50 20 IBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1cccc(S(C)(=O)=O)c1 776535906 GFCRZIVQGODWCJ-NSHDSACASA-N 440.503 -0.001 50 20 IBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(S(=O)(=O)CBr)CC1 777833620 XXZCLSDYSBTHPS-VXGBXAGGSA-N 436.328 -0.012 50 20 IBGD CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCCS1(=O)=O 777833670 YQMKCDQFAVSHFK-GFCCVEGCSA-N 446.389 -0.127 50 20 IBGD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 778935449 AEWHQLYWMRDWKK-BFUOFWGJSA-N 434.405 -0.763 50 20 IBGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 799257906 VPXDWQYBCJGMEB-MRXNPFEDSA-N 426.385 -0.032 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1 800623834 YIHNBHKJYLLULK-GFCCVEGCSA-N 435.462 -0.316 50 20 IBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 812726912 MFPRWGPTROQDRV-SRABZTEZSA-N 436.490 -0.068 50 20 IBGD CN(Cc1ccccc1S(N)(=O)=O)C(=O)NNC(=O)CNC(=O)c1cccs1 814294873 OSRZOVKBOIKAFH-UHFFFAOYSA-N 425.492 -0.002 50 20 IBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)nnn1CCOc1ccc(F)cc1 815571252 YULRTCQGGOILOP-CQSZACIVSA-N 436.400 -0.694 50 20 IBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 920425309 XWLFOENZLQGYPA-AWEZNQCLSA-N 440.522 -0.298 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccc(Br)cc2)nn1 1320140010 QGKRGPQTMJMRJR-QMMMGPOBSA-N 431.272 -0.272 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778010901 BXGLNBZKUHDRCL-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1783933958 PBXUHPYAEFJAOT-LJQANCHMSA-N 436.538 -0.228 50 20 IBGD CSCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783971533 PTPFMTHOCDHBBL-DNVCBOLYSA-N 437.522 -0.757 50 20 IBGD C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784549984 OLKODKKJUIZVMR-ZHRRBRCNSA-N 439.277 -0.328 50 20 IBGD Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)n1 1789925685 HIEDPNFPERXEFL-AVWBDOJWSA-N 433.282 -0.010 50 20 IBGD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795735322 ZRCRRMRLFARZRD-RMFSNUHRSA-N 437.305 -0.051 50 20 IBGD COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1F 1795737190 BSDVNUOAVXBILW-JLVBRIDZSA-N 443.240 -0.574 50 20 IBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2[nH]ncc2c1 1797349730 KUTHORCKFPGQJZ-JLVBRIDZSA-N 429.481 -0.466 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)cncc1F 1798240818 KGGHQMKNIXIMBX-YQYWCBKUSA-N 446.414 -0.125 50 20 IBGD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799095386 QAJLPFDFEROLAT-AJYBTWMASA-N 447.536 -0.307 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667167 NQRBWBURPADMIM-SECBINFHSA-N 428.430 -0.545 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3)CC2)CC1)c1cccc(B(O)O)c1 1834800652 VRQYPIJMBZQERS-UHFFFAOYSA-N 442.369 -0.353 50 20 IBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1837591899 SWGKNBOFQPKFLU-FQEVSTJZSA-N 436.513 -0.910 50 20 IBGD N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1 1838950015 JDNAHLIFGQSOEK-QHCPKHFHSA-N 449.272 -0.378 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840152303 FCCGQHBILLHVCA-APPDUMDISA-N 430.845 -0.788 50 20 IBGD Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840185502 OGIPLRDXMCKREY-HXUWFJFHSA-N 436.513 -0.910 50 20 IBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(OCC(N)=O)c2)cc1 30598798 KTHIQGNPFULQMD-UHFFFAOYSA-N 434.474 -0.059 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(F)c(S(N)(=O)=O)c2)n1 728723039 XNJAOLPFWPXXHH-UHFFFAOYSA-N 430.439 -0.215 50 20 IBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 745476259 CTAWOVOQSCDRKK-MPTQWLOMSA-N 435.820 -0.193 50 20 IBGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 753786914 WXDUNEAMOAFFDS-KRWDZBQOSA-N 437.522 -0.308 50 20 IBGD CCOc1cc(C)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756020606 CJZHXIFKQRNORI-UHFFFAOYSA-N 429.437 -0.006 50 20 IBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)C(=O)Nc1ccccn1 758839792 MPHLQLKSIATSTB-UHFFFAOYSA-N 434.430 -0.197 50 20 IBGD COc1ccccc1SCC(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 761675261 UZGAGQBYNWNYQS-UHFFFAOYSA-N 445.567 -0.305 50 20 IBGD CSc1cc2c(cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)OCCO2 764226233 GQZPNIGJOOXRHU-QMMMGPOBSA-N 432.480 -0.797 50 20 IBGD COc1ccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1NC(C)=O 764815623 AUQNTFACAJMYJN-UHFFFAOYSA-N 441.448 -0.059 50 20 IBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NN(C)C(=S)NCCCOC)c1 768737672 WADYKAFDYXGKLF-UHFFFAOYSA-N 447.583 -0.247 50 20 IBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(S(=O)(=O)CBr)CC1 777833617 XXZCLSDYSBTHPS-TXEJJXNPSA-N 436.328 -0.012 50 20 IBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 779622697 PPTPJTVGOPZMPI-KRWDZBQOSA-N 435.506 -0.554 50 20 IBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 793392685 TVPQZRRMUOFKCS-SNVBAGLBSA-N 437.496 -0.743 50 20 IBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2c(=O)nc(O)c3ccccc32)n1 809015748 NMYGPMMGKUESOZ-UHFFFAOYSA-N 431.430 -0.200 50 20 IBGD Cn1c(=O)c2nc(Br)n(CC(=O)NNC(=O)c3ccccc3)c2n(C)c1=O 913076692 RLTUVYPNFJIWRM-UHFFFAOYSA-N 435.238 -0.343 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1782172401 UERCHWBYRRCNEM-ZVZLLHMNSA-N 430.889 -0.648 50 20 IBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)n1cncn1 1782528143 CTSJULYMKZHMEY-RRMPHLOHSA-N 441.297 -0.653 50 20 IBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1792872181 PUVAZLNUTOFLIT-KQXIARHKSA-N 434.287 -0.850 50 20 IBGD CC(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)no1 1794930493 LIBQSMOVPDSSEJ-CCWDJLKJSA-N 427.266 -0.005 50 20 IBGD O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797783059 AKCZUERPZZTQOK-RMFSNUHRSA-N 440.305 -0.732 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)C(F)(F)F)C2 1798443545 GVFYUAIIDVWCLO-JGPRNRPPSA-N 442.398 -0.385 50 20 IBGD Cn1nc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)cc1O 1804892370 KANKLJUNLWAILA-UZLBHIALSA-N 449.276 -0.166 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cccc(=O)n3O)CC2)C1 1809968746 CIKFWCYVIATGKG-UHFFFAOYSA-N 439.277 -0.076 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1810294527 LPTCPZYRQWWABQ-JQFCIGGWSA-N 446.895 -0.001 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1c1cccnc1 1813069804 BZFDZWYTFXYPJE-QAPCUYQASA-N 428.497 -0.097 50 20 IBGD O=C(O)CSCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1826110441 KLIKTLRSLISSQE-GFCCVEGCSA-N 449.319 -0.134 50 20 IBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012943 LMBKKMPMIGADNZ-SUMWQHHRSA-N 448.314 -0.074 50 20 IBGD N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835514070 ZBIVPVLNJMCGCF-ZWNOBZJWSA-N 427.296 -0.240 50 20 IBGD Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931612 SVKCQQXURFHKCF-HXUWFJFHSA-N 429.238 -0.953 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1837460386 FDKSLYCHYFCDAW-UZLBHIALSA-N 449.533 -0.349 50 20 IBGD CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1 1838829661 JOPHLSDDYZMZIM-KDOFPFPSSA-N 428.873 -0.455 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105240 VKPAAFHVXHMVGD-UWVAXJGDSA-N 446.976 -0.668 50 20 IBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nc2nccn12 1839547140 XKIYMSRVXOCBDM-KXBFYZLASA-N 437.884 -0.293 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccco2)C1 1843078227 KOQPJEJOPCDBRM-UHFFFAOYSA-N 426.433 -0.475 50 20 IBGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)C(=O)NC1CC1 10215566 YEFNRKIAMYHMRJ-UHFFFAOYSA-N 438.384 -0.320 50 20 IBGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)[C@@H]1COc2ccccc2O1 727752941 NDYGAZYHUBFZBD-KRWDZBQOSA-N 433.442 -0.018 50 20 IBGD CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)CO 755393251 UVWQZZFKMXQLMY-UHFFFAOYSA-N 429.499 -0.301 50 20 IBGD CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758035688 NJRRZIUBVWJXCD-WBMJQRKESA-N 437.522 -0.064 50 20 IBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c3cccnc3)C2=O)cc1 763818718 NTZOPCBXIWOTLT-OAQYLSRUSA-N 438.444 -0.266 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12 764229930 FMFTUKSTQSAXQR-QMMMGPOBSA-N 445.404 -0.140 50 20 IBGD CSCCNC(=S)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 769766221 SGMQOESWFJQKJX-UHFFFAOYSA-N 433.581 -0.475 50 20 IBGD CN1CCN(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 811421471 LNSZNMADHDAQBU-UHFFFAOYSA-N 434.316 -0.284 50 20 IBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 819657595 DSFTVANQCOGEFX-GFCCVEGCSA-N 444.514 -0.507 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780256348 UISKEBUAIIDARA-FQEVSTJZSA-N 426.433 -0.457 50 20 IBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1782171704 AUJCHIOUAIONCT-VEVIJQCQSA-N 430.889 -0.694 50 20 IBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1784499861 ZAXZDAMLNFIZNL-IERDGZPVSA-N 426.282 -0.657 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ncc[nH]3)[C@H]2C1 1791481359 RFGQPRNDSVZMGI-JQFCIGGWSA-N 441.492 -0.366 50 20 IBGD Cc1ccc(OCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1795306986 WUMBWFFDBPDSAD-OPMZPASUSA-N 438.289 -0.043 50 20 IBGD CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc1 1795737304 QTICZTSOBJEJSD-CWPLJXCYSA-N 438.293 -0.656 50 20 IBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048833 KYGYHAVZZMFCKZ-WBMJQRKESA-N 435.319 -0.503 50 20 IBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1830546969 YDSOAPMGPLTMKO-IOASZLSFSA-N 445.318 -0.279 50 20 IBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831345660 LNRDXJMVVSFFFQ-IUODEOHRSA-N 441.344 -0.339 50 20 IBGD O=C(NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccc[nH]1 1832873611 USRUIFVWIFUGHC-KXBFYZLASA-N 442.900 -0.809 50 20 IBGD CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461293 SWJZSLOFTSRQKT-FQEVSTJZSA-N 435.481 -0.818 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1837711702 NXTSYVDDJGQTAJ-GOSISDBHSA-N 440.529 -0.191 50 20 IBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840032241 SFQQZGAIHKNBAN-CRAIPNDOSA-N 448.358 -0.052 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1840182839 VXBSABGZIARDHZ-MHJFOBGBSA-N 426.489 -0.292 50 20 IBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 9930636 GYQXMBIENSGYQS-GFCCVEGCSA-N 433.508 -0.664 50 20 IBGD Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 23371895 IIJUBXPUOSAYGD-UHFFFAOYSA-N 442.251 -0.059 50 20 IBGD CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N1CCOCC1 745986629 ZUERKEPEBMZYAE-OAHLLOKOSA-N 442.494 -0.211 50 20 IBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 798315499 VYEUQNVFUSZQHM-KOLCDFICSA-N 428.364 -0.158 50 20 IBGD O=C(NC[C@H]1COCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918109118 VFQOSQMHUQQCCZ-AWEZNQCLSA-N 428.467 -0.933 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csnn1 1793499072 VGEQNXKVVIAJEO-UCCBVSCDSA-N 431.478 -0.125 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Cl)C3)n(C)c1=O 1794249927 MJDRITBZBRIJKF-MIJXAVMKSA-N 440.863 -0.394 50 20 IBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(=O)nc2cccnn12 1796191870 IMJVVBBQUHVDFK-BJWYYQGGSA-N 447.260 -0.665 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C2 1798442989 LGQPEQATVYIXHE-OQMKEHIESA-N 435.506 -0.486 50 20 IBGD CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806766097 IAROSQSSKDMLBX-VQIMIIECSA-N 445.306 -0.874 50 20 IBGD O=C(Cn1nccn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1823111287 CQYMZMPTXAJAMG-ZDUSSCGKSA-N 426.267 -0.660 50 20 IBGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1OC 1830731417 JHMIIHOMOYWRLD-YJYMSZOUSA-N 443.884 -0.232 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1)[C@@H](O)CCl 1833310887 XPSCTKGVDUOCOI-AWEZNQCLSA-N 427.889 -0.327 50 20 IBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cnnn1 1834826158 DIUPYLGQNRLEGT-SWLSCSKDSA-N 431.291 -0.525 50 20 IBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)ccn1 1835931239 JFZCCWXAJAJCPD-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935413 RRBVXKPVIBVPLI-OAQYLSRUSA-N 443.265 -0.699 50 20 IBGD Cc1[nH]ccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835937170 QSKLQCQBGGNBFI-NRFANRHFSA-N 427.266 -0.613 50 20 IBGD O=C(Cc1cscn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836040022 FXPMPCOKPHTTCT-FQEVSTJZSA-N 445.306 -0.864 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506012 KJAACHYSQDJMPD-ABSDTBQOSA-N 440.928 -0.338 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715378 NGPPKWVHBZJXKO-MAUKXSAKSA-N 447.561 -0.641 50 20 IBGD C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839842956 LVHJLGVPWMKDSF-BTYIYWSLSA-N 431.493 -0.033 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840150815 QUWUVMBSWQUTOC-AUUYWEPGSA-N 440.884 -0.496 50 20 IBGD O=C1COc2ccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cc2N1 1844079712 NULUILUDMFNMGS-UHFFFAOYSA-N 435.245 -0.172 50 20 IBGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)c2ccccc2c1=O 17190588 DWNIXPHOXJWYOA-UHFFFAOYSA-N 448.461 -0.239 50 20 IBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 729619453 QIQBFVIKMOMJRS-LSDHHAIUSA-N 425.511 -0.256 50 20 IBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1=O 732259466 FCHFIZVBESJHAY-GASCZTMLSA-N 431.493 -0.170 50 20 IBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(=O)(=O)CCO)cc2)c1 744894210 HOHNCTMVQPZYJM-UHFFFAOYSA-N 431.426 -0.058 50 20 IBGD CCC1(CC)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 758513242 RXPYMABPXGKXPK-UHFFFAOYSA-N 439.332 -0.077 50 20 IBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 763206656 SOJSTJYOUGLXDK-UHFFFAOYSA-N 426.314 -0.226 50 20 IBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(OCCN(C)C)c1 764818283 TVLZGYYRBIQXKL-UHFFFAOYSA-N 441.492 -0.086 50 20 IBGD COc1ccccc1C/C(C)=C/C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639417 PULUBTOTYUUBOO-JLHYYAGUSA-N 440.460 -0.221 50 20 IBGD CC[C@H](CO)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 779590208 SELMHXOCOGNEBR-OAHLLOKOSA-N 442.476 -0.406 50 20 IBGD COc1ncncc1NC(=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784230767 RGZFAMKXHPWHJM-UHFFFAOYSA-N 449.493 -0.497 50 20 IBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)CNC(=O)c1ccco1 792118501 ZENZOEXLUNAENU-INIZCTEOSA-N 430.339 -0.212 50 20 IBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)C1=CC=CN2CCS(=O)(=O)N=C12 836708420 MGKBSUSOFUPPLA-UHFFFAOYSA-N 428.430 -0.164 50 20 IBGD COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779031838 ZQJYVOQMUJUWJV-HXUWFJFHSA-N 441.448 -0.759 50 20 IBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccccc1=O 1779268364 IFKHDIIKSBHBTF-IIBYNOLFSA-N 433.509 -0.388 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cn[nH]c4cn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979726 NWGMGMVKYKIORU-VHFSOBRXSA-N 449.276 -0.455 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)[C@@H](O)N1CCOCC1 1788650392 LBQKUXRZAKHTIV-AYMQEEERSA-N 434.331 -0.598 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2)c1ccc(B(O)O)cc1 1795734650 VIGMXFQJOIOGJE-ALXJQNPVSA-N 435.249 -0.845 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nc1)C2)c1cccc(B(O)O)c1 1795737059 ZJHLNVYGJARLIK-JLVBRIDZSA-N 429.669 -0.068 50 20 IBGD CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)c3cccc(B(O)O)c3)CC2)CC1 1796191585 ATEIXEYCDKJEQF-ACDBMABISA-N 440.353 -0.602 50 20 IBGD Cc1ncc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)s1 1797754055 KEVBXAMMFQQZPO-IVWMJMPLSA-N 444.517 -0.104 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800284937 IGBSBIHRYOADMY-OQMKEHIESA-N 442.856 -0.400 50 20 IBGD C[C@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801225893 ZRKFCGNFVFBZMO-LAVAIGHBSA-N 437.305 -0.157 50 20 IBGD O=C(NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807370918 NMIBTFMYQMJFRS-YLJYHZDGSA-N 434.265 -0.627 50 20 IBGD C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)n1ccnn1 1812396819 ZIFMQNDIJZKUEM-ZTNFWEORSA-N 448.292 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1813069020 RSVDUDFYFOLCIN-VKJFTORMSA-N 432.481 -0.431 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814572452 NUFNTFGJXZNTGT-CYBMUJFWSA-N 438.554 -0.240 50 20 IBGD CC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821969249 PRPDIVLFXXPFFF-SJCJKPOMSA-N 427.270 -0.080 50 20 IBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1830922575 KIVJYGNLCKUGRQ-QFIPXVFZSA-N 447.536 -0.238 50 20 IBGD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1834047106 SPXYGVVVDAUSNJ-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938320 RVIUZYJMGJBUKE-XMSQKQJNSA-N 446.309 -0.991 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837462787 RESUPHYEDOYAIS-QVKFZJNVSA-N 447.492 -0.818 50 20 IBGD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839412892 RFKIWNKJSRQCNU-QAPCUYQASA-N 443.840 -0.030 50 20 IBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840033520 IBZKPVGZRHSOFD-OGHNNQOOSA-N 432.315 -0.083 50 20 IBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840230474 LLQXAGDRHXQMMN-BEFAXECRSA-N 427.574 -0.180 50 20 IBGD Cn1cc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 728209604 IMODNDMYCADHMJ-UHFFFAOYSA-N 428.496 -0.718 50 20 IBGD COc1ccc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1OC 728501569 OALXXJRWAPUMCE-UHFFFAOYSA-N 435.418 -0.325 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 729276378 DIWXFGQWMZSSPJ-NXEZZACHSA-N 447.311 -0.113 50 20 IBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 740851198 ULLCJUCGVFLKIS-RRFJBIMHSA-N 444.554 -0.452 50 20 IBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccc(Cl)c3)cnc2n(C)c1=O 746943428 OZHDMIRYBIDVFB-UHFFFAOYSA-N 445.819 -0.096 50 20 IBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 756838020 KNALGKUIOURFOL-UHFFFAOYSA-N 428.413 -0.912 50 20 IBGD COc1ccc(Cl)cc1N1C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1=O 758044468 MGJYTGHKZRXFLX-NXEZZACHSA-N 432.886 -0.213 50 20 IBGD COC(=O)C1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 766336573 DBFJBPQNHGWPKP-UHFFFAOYSA-N 439.490 -0.259 50 20 IBGD CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NNC(=O)c1cc(C)c(CC)s1 781908506 MHMJOAQPXSJXHZ-ZDUSSCGKSA-N 440.522 -0.240 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnc[nH]1)C2 1779373380 OGILMPOEQPCHRM-DYESRHJHSA-N 441.492 -0.222 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1781270741 UXPZSAXVAXVJBQ-NRFANRHFSA-N 445.476 -0.362 50 20 IBGD O=C(Cn1cnc2ccccc21)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783749236 IRUXIXZHGSXHGK-QHCPKHFHSA-N 448.288 -0.140 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1783935346 QJOCQBXUIQRFIR-HXUWFJFHSA-N 429.481 -0.226 50 20 IBGD Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)no1 1784361312 AWRJIHQKMSUBAC-FQEVSTJZSA-N 428.449 -0.332 50 20 IBGD C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984849 QEHWGGWQRBDTQS-WDSOQIARSA-N 444.293 -0.531 50 20 IBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21 1788772557 CTHDWEPZXCPKRE-QAETUUGQSA-N 429.590 -0.031 50 20 IBGD CN1CCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)ccc21 1795739166 QESGPYDTJUCLOU-HATOLVCRSA-N 449.316 -0.124 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnc2ccccc2n1 1796777498 SOJCQIAYBWEOOJ-VPTLXERWSA-N 446.272 -0.173 50 20 IBGD CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748718 XCRYYJOGVZRRJM-HBCWATKFSA-N 446.508 -0.805 50 20 IBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccnc1)C2 1797749780 RSZLBWQPVXGBHT-MEXLWANDSA-N 436.472 -0.003 50 20 IBGD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)n1 1815355119 NIGVIQISJPNUHJ-LBPRGKRZSA-N 426.267 -0.509 50 20 IBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(O)nc1O)CC2 1826086315 RMBWZYWBHPVUKK-SECBINFHSA-N 449.493 -0.057 50 20 IBGD O=C(CCn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834826166 DMLSZYVPUNWXKF-MRXNPFEDSA-N 430.303 -0.090 50 20 IBGD CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1835645238 AJGSHKQUAPRSSY-WBVHZDCISA-N 448.948 -0.124 50 20 IBGD Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927122 GQPYRXDGXFPLHR-QFIPXVFZSA-N 439.277 -0.546 50 20 IBGD Cn1cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929362 MFGLYXVCRBYXOQ-OAQYLSRUSA-N 427.266 -0.911 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799262 YJTGSLABBODRIU-MEDUHNTESA-N 431.833 -0.358 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839106089 VKPAAFHVXHMVGD-MBOZVWFJSA-N 446.976 -0.668 50 20 IBGD C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197499 YZUGMQQGVINMQL-MXTKCAFNSA-N 448.289 -0.008 50 20 IBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839874869 FCCUKEFIPYARNQ-AHIWAGSCSA-N 434.331 -0.002 50 20 IBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840036920 SQTFZBYIGCVODH-YVEFUNNKSA-N 444.282 -0.849 50 20 IBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840150858 RZJVGYXOBMDDAJ-SCLBCKFNSA-N 430.889 -0.695 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840184147 ADVZHNNYOIICGK-NRFANRHFSA-N 448.524 -0.728 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1840187235 OPWAKEOCAOWLQG-ROUUACIJSA-N 432.468 -0.139 50 20 IBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cc2nc3ccccc3n2C)n(C)c1=O 16229723 ITGUPTPYBHJELK-UHFFFAOYSA-N 438.448 -0.899 50 20 IBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N[C@H]1CCS(=O)(=O)C1 732061084 BAWXHCSLQGRUPU-UWVGGRQHSA-N 445.479 -0.222 50 20 IBGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(C)c2)C1 758038788 GPHSVIZFPDADFR-NWDGAFQWSA-N 449.555 -0.856 50 20 IBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1 763893473 VRENNOPULNIMJL-UHFFFAOYSA-N 434.478 -0.273 50 20 IBGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764435511 WFOUYYVDYNWWAB-KRWDZBQOSA-N 435.481 -0.662 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1C(C)(C)C 773250215 ABJFOFFLQGYZOW-SSDOTTSWSA-N 427.526 -0.009 50 20 IBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)cc1 810558561 BAFNLVOYDKVYLE-UHFFFAOYSA-N 449.493 -0.307 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779325114 LYWHYFQYFDKIRP-KSFYIVLOSA-N 438.293 -0.295 50 20 IBGD C[C@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779326494 XPDIXPRZDDOMLC-KSFYIVLOSA-N 438.293 -0.295 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1783933252 TZKCSNDMWXVEEW-OAQYLSRUSA-N 434.493 -0.026 50 20 IBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1788472643 FEXHONCGZSZKHO-JUFZMCDQSA-N 436.303 -0.184 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2)c1ccc(B(O)O)cc1 1795734128 DUQREXJRJHQHKT-CWPLJXCYSA-N 438.245 -0.388 50 20 IBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1 1796729096 ZQJCBAFQPLTQHI-CCWDJLKJSA-N 425.250 -0.713 50 20 IBGD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)o1 1797746167 XULISYMFSZWICM-CCWDJLKJSA-N 441.249 -0.565 50 20 IBGD Cc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749569 FJGQPYSORYBFSY-JJLQDPRZSA-N 430.490 -0.033 50 20 IBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800756017 DDQHWBXTAPGUMF-DNVSUFBTSA-N 425.088 -0.647 50 20 IBGD O=C1CC[C@@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)CN1 1814523330 OZMRJPBBOHFUAH-PBHICJAKSA-N 439.281 -0.078 50 20 IBGD C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817469773 DZJNBWFNOOLBKU-BLLLJJGKSA-N 427.270 -0.093 50 20 IBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1826004583 NPSJJLXMQALVMZ-BDAKNGLRSA-N 432.886 -0.148 50 20 IBGD CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1832311000 QJQQDOAZSBGDQC-NRFANRHFSA-N 434.298 -0.749 50 20 IBGD C[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCl)NC(=O)OC(C)(C)C)CCO2 1832551450 OGGVLHDAVHPEMG-TYILLQQXSA-N 449.932 -0.044 50 20 IBGD O=C(Cn1cccn1)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837920199 HIGSTOWGXCMPNU-UHFFFAOYSA-N 440.309 -0.125 50 20 IBGD O=C(CN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198226 AESBFLWIQJRQLB-DOMZBBRYSA-N 438.250 -0.415 50 20 IBGD O=C(CN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199896 YYXDNDJTZZACJV-HOCLYGCPSA-N 438.294 -0.535 50 20 IBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840181567 DGLZWUYFTYUUJX-DOPJRALCSA-N 436.889 -0.688 50 20 IBGD O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010726 WNQCMEVFVFWIJH-KRWDZBQOSA-N 439.321 -0.026 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 725739918 ABNFQKNUILKEOW-UHFFFAOYSA-N 434.474 -0.299 50 20 IBGD COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 728170743 JLDOARNBPJIDAL-SREVYHEPSA-N 429.451 -0.276 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 741790164 AEUIGEOKNUCSKM-INIZCTEOSA-N 425.555 -0.163 50 20 IBGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 757804144 SAWWLHSSVTZZCT-VXGBXAGGSA-N 449.555 -0.005 50 20 IBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 764228539 XYVXDNVOLMOKNE-LLVKDONJSA-N 442.494 -0.406 50 20 IBGD CC(C)c1ccccc1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764379107 QSVMBKBWKHPPRY-UHFFFAOYSA-N 441.448 -0.657 50 20 IBGD COc1ccc(/C=C\C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1O 773394167 XWKMAMHRFHSPSI-ALCCZGGFSA-N 428.405 -0.991 50 20 IBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 918776255 KTVTZQXYORVHLD-UHFFFAOYSA-N 427.465 -0.236 50 20 IBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111070 DPTBEEBRAHFJCA-VQIMIIECSA-N 428.961 -0.150 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782382518 KGHLVZBZZINNQK-JOCHJYFZSA-N 434.261 -0.229 50 20 IBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccn3)[C@H]2C1 1787101908 GGWLQMQMZUUWGZ-JQFCIGGWSA-N 427.465 -0.825 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(=O)nc2cccnn12 1789197998 UQKREBPTWOSUAI-JURCDPSOSA-N 435.868 -0.718 50 20 IBGD C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793596191 RULGFQXLGXMXOE-FQUUOJAGSA-N 437.522 -0.382 50 20 IBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn1C 1794874381 GRBGTYUZHPGJQP-QQGSHNGGSA-N 427.465 -0.243 50 20 IBGD CN1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795732889 QQUPKUCBZRCUCO-RMFSNUHRSA-N 429.326 -0.699 50 20 IBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798500627 RBOYHZFPNHHVPJ-IPJQOSJUSA-N 435.868 -0.454 50 20 IBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208349 AHFZHXVOYHKFHW-YYHMBLRTSA-N 429.271 -0.066 50 20 IBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1801011528 RVJSHOCSXMAUQZ-FVCICTRLSA-N 445.480 -0.989 50 20 IBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1810301662 BJPJQEVQNXVCBK-KXBFYZLASA-N 449.475 -0.309 50 20 IBGD O=C(CN1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050655 BWIVCLMYCNFOQQ-NRFANRHFSA-N 443.353 -0.068 50 20 IBGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1830625976 FNEPDMXBEFQTLK-IIBYNOLFSA-N 449.508 -0.838 50 20 IBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)c1cnoc1 1835147471 WDVJKOPIOXNCDT-UHFFFAOYSA-N 426.282 -0.147 50 20 IBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3sccc3F)C2)C1 1835934279 SJLNWOMAFVEYLQ-FQEVSTJZSA-N 448.281 -0.049 50 20 IBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnc1 1840182575 NXPLKUHSMAWOED-UZLBHIALSA-N 436.513 -0.727 50 20 IBGD CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840183383 AFKNUJZGOFIUNB-HXUWFJFHSA-N 436.513 -0.654 50 20 IBGD CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NNC(=O)[C@H]2COCCO2)CC1 745615712 OMVHNEUTSBFVHB-CQSZACIVSA-N 429.474 -0.751 50 20 IBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 751204710 NKPZWVFIPWKWRY-UHFFFAOYSA-N 425.401 -0.771 50 20 IBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2-n2cccn2)n(C)c1=O 755861935 KJBLKFIOFACFLV-UHFFFAOYSA-N 437.420 -0.528 50 20 IBGD Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 757829843 HFLWCTZPOVJPEY-LBPRGKRZSA-N 427.483 -0.442 50 20 IBGD O=C(NNC(=O)c1cccnc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763494814 KSLHANJAZKECHL-KRWDZBQOSA-N 439.428 -0.504 50 20 IBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](O)c3cccnc3)CC2)cc1 768292110 UYQXVVCZOLCQKY-LJQANCHMSA-N 447.517 -0.423 50 20 IBGD CN(C)c1c(C=NNC(=O)Cc2csc(N3CCOCC3)n2)c(=O)n(C)c(=O)n1C 807959588 WDMRATOLMSRHCG-UHFFFAOYSA-N 435.510 -0.864 50 20 IBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)N1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 819721425 SQXDGQYNCASFOL-GOSISDBHSA-N 425.511 -0.570 50 20 IBGD NC(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 898808320 LMWKTJFOQJXPGN-INIZCTEOSA-N 428.401 -0.001 50 20 IBGD O=C(/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)NCc1ccco1 1779207670 VZYKJIWAJFALCX-LNFBDUAVSA-N 425.869 -0.118 50 20 IBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)[C@H](F)Br)C4)C3)cc21 1781328692 WJSQQPXWZJFAMG-LRDDRELGSA-N 444.261 -0.240 50 20 IBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnc2[nH]ncc2c1 1788272554 VNHYIIQTRTYFPZ-JVPBZIDWSA-N 449.276 -0.455 50 20 IBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1792183556 JVDSLRZHCNPCNQ-FFGOWVMKSA-N 445.325 -0.736 50 20 IBGD C[C@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793596194 RULGFQXLGXMXOE-YIYPIFLZSA-N 437.522 -0.382 50 20 IBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1796439930 BVLXSAKAEOAKLZ-PTEHBNRSSA-N 428.338 -0.195 50 20 IBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc2ncncc2c1 1797467081 JVKDFUUDCSXPKC-RMFSNUHRSA-N 446.272 -0.173 50 20 IBGD O=C(NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1)[C@@H](O)CCl 1803138307 IZBDLDWUEGZODU-YDHLFZDLSA-N 434.817 -0.588 50 20 IBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ncnn2C)[C@@H]1c1cccnc1 1805282898 MZYWFJQVZDCQCP-YJBOKZPZSA-N 428.497 -0.097 50 20 IBGD O=C1NC[C@@H](C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)O1 1815278074 ZPRWMLQSKWXWQL-CABCVRRESA-N 427.226 -0.496 50 20 IBGD O=C1C[C@H](C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)CN1 1815360078 LPVPFVVOYBALEI-AAEUAGOBSA-N 428.279 -0.815 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1C1CC1)CCO2 1830495289 IOTSVWNLPOEQOP-DXIQSLLYSA-N 428.294 -0.518 50 20 IBGD Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834042616 FAYZQHTUUULTGN-OAQYLSRUSA-N 433.509 -0.167 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1835929151 CIMQPQFOCKGOJA-IBGZPJMESA-N 431.279 -0.793 50 20 IBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1835930156 ABUQYNUXLDOOIT-RXVVDRJESA-N 430.266 -0.871 50 20 IBGD CC[C@@H](NC)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837913046 KSLCJYRYXIPLFZ-HXUWFJFHSA-N 431.342 -0.023 50 20 IBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839090524 FFOBCOIJQZPFHO-OREJSRFESA-N 431.493 -0.199 50 20 IBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Br 728510349 XJOVHAMAVCBGPU-ZETCQYMHSA-N 430.302 -0.295 50 20 IBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl 731339709 APWZXYZZFWEXDN-YFKPBYRVSA-N 434.279 -0.061 50 20 IBGD C[C@H](CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742576952 JHVCGUWMDXKGAQ-MNOVXSKESA-N 443.507 -0.979 50 20 IBGD COc1cccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 743296118 VFYKGNJZIUXZCN-LBPRGKRZSA-N 438.510 -0.028 50 20 IBGD O=C(C[C@@H](C(=O)NN=Cc1ccc(O)cn1)N1CCOCC1)NN=Cc1ccc(O)cn1 755744196 NPCJHSDUXNHYLE-SFHVURJKSA-N 441.448 -0.421 50 20 IBGD Cn1nc(SCC(=O)NN=C2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(=O)n(C)c1=O 760239641 NTVLELNZDKUDFK-NSHDSACASA-N 436.454 -0.037 50 20 IBGD CN(C)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765330322 MWGVRRNIEYLBOW-UHFFFAOYSA-N 429.474 -0.259 50 20 IBGD O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1ccc2c(c1)OCCO2 770425901 BLGZWCOWBLQBKG-UHFFFAOYSA-N 425.195 -0.056 50 20 IBGD O=C(CNS(=O)(=O)c1cccnc1)N1CCN(S(=O)(=O)CBr)CC1 810909790 NPZJBTXQLDBLNT-UHFFFAOYSA-N 441.329 -0.814 50 20 IBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816878395 QVNIFYIHBLGQFQ-DOMZBBRYSA-N 437.501 -0.347 50 20 IBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 919884385 FMSSQLGIAUETCJ-KBPBESRZSA-N 444.535 -0.395 50 20 IBGD 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O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)O1 1803645829 ZPFCWLHUHYVYMG-SZMVWBNQSA-N 438.249 -0.811 50 20 IBGD O=C1C[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)CN1 1807366858 PEPNQBSUVHVSMX-UWVAXJGDSA-N 436.277 -0.783 50 20 IBGD CN(C)CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797910 KOYTWIBCDZNDQS-UHFFFAOYSA-N 430.358 -0.497 50 20 IBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cncn1 1839203507 NIOMPICDIUBWIY-JMSVASOKSA-N 434.266 -0.014 50 20 IBGD CN(C)N(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 728177531 AWKAKKMZTQLJOR-CQSZACIVSA-N 446.551 -0.841 50 20 IBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 732197034 JWZCWMZVVMDOJW-NSHDSACASA-N 432.524 -0.213 50 20 IBGD CC(CS(=O)(=O)c1ccccc1)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 735407169 VRZQDQGXAWVDHL-UHFFFAOYSA-N 425.492 -0.463 50 20 IBGD COCCOC[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 745864454 QQNAUCIZLSUFRC-AWEZNQCLSA-N 444.510 -0.297 50 20 IBGD 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