smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 768290524 IPITVSAJDIZHFP-AWEZNQCLSA-N 435.485 -1.626 50 20 IAGD CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607802 JPWCZZCCZJHHLQ-RCBQFDQVSA-N 447.496 -1.450 50 20 IAGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833303839 CLKZNANISJWJMY-ACJLOTCBSA-N 426.857 -1.150 50 20 IAGD Cc1c(/C=C(/C#N)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(C#N)n1C 766641514 ZHGQADORJMQMHS-ACAGNQJTSA-N 449.431 -1.293 50 20 IAGD C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 777831707 HUNPTEQORFCSDV-UHFFFAOYSA-N 437.272 -1.210 50 20 IAGD NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794266061 NUORDDHDVMDFPQ-XOIINTDNSA-N 438.249 -1.623 50 20 IAGD O=C(Cc1ccc(O)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801460524 MFEUJDHEQWBQRF-YVWYUNDQSA-N 425.250 -1.087 50 20 IAGD O=C(CCn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934445 SNUZVAORXLQWBY-HXUWFJFHSA-N 443.269 -1.882 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1835935540 JWBWPCDLAKPDSS-OAQYLSRUSA-N 432.282 -1.137 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1840184075 PZJIRVXCZCCBDU-IFXJQAMLSA-N 442.517 -2.591 50 20 IAGD Cn1cc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 758511586 BGRJLXASQZVVOB-UHFFFAOYSA-N 444.333 -1.475 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247846 YYYHEXGJXFDYHS-LJQANCHMSA-N 427.421 -1.474 50 20 IAGD O=C(COc1cccnn1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784457045 JLPMTOBZVLVOHV-FQEVSTJZSA-N 426.238 -1.321 50 20 IAGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788613014 LTTUFODWVMASBU-XIRDDKMYSA-N 448.354 -1.556 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792581090 YVZOYNCIHTXFAL-JRATXPSKSA-N 430.465 -1.586 50 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CWWLZZRVWVMLDE-FQEVSTJZSA-N 444.253 -1.629 50 20 IAGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 744686813 XNKXCLDFZLLTBF-LSDHHAIUSA-N 448.457 -1.102 50 20 IAGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@H]1COCCO1 745517688 BVVPBAYSBAOIEN-CQSZACIVSA-N 442.498 -1.721 50 20 IAGD C[C@H](Oc1ccccc1C#N)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765722232 UTMVOBFMUSNIMC-NSHDSACASA-N 425.405 -1.080 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@H]2OC(=O)c3ccccc32)n(C)c1=O 765733005 ZMFWAOHYQPEZBN-GFCCVEGCSA-N 426.389 -1.117 50 20 IAGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797589621 SHHMZSMXEXEQIH-DJZPMSPPSA-N 429.474 -1.987 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1797749815 VUONAAOEOQDXIX-ZSBFGKGUSA-N 425.449 -1.079 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H](O)N1CCOCC1 1797801472 JUJMSHDAYLBWFV-DOHHPOSVSA-N 433.270 -2.780 50 20 IAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801008314 VMEYOMCRAMFSFP-ATNYCFDYSA-N 428.486 -1.435 50 20 IAGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cncn1 1835934258 QNSUXDTWAWSNHM-QRWLVFNGSA-N 443.269 -1.711 50 20 IAGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840201126 GOFHRWFTDDNWMU-QMTHXVAHSA-N 431.795 -1.279 50 20 IAGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c2ccccc2O1 815691303 LQDRHFVOKCKWBT-RISCZKNCSA-N 428.405 -1.045 50 20 IAGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 1324103768 XHXJPXXIDQYABZ-CQSZACIVSA-N 444.535 -1.087 50 20 IAGD C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034641 RDRMDHUNLDYTEV-PMACEKPBSA-N 449.464 -1.256 50 20 IAGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934587 JGBAAUGWLGKDGR-AUUYWEPGSA-N 426.518 -1.103 50 20 IAGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787516798 QYFRLUCGMZJGDA-JXIYXGQPSA-N 431.298 -1.174 50 20 IAGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831182104 HEKMKJTXTBKJNH-QVKFZJNVSA-N 447.297 -1.649 50 20 IAGD O=C1CCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835407960 POIQROMIRGMATL-NRFANRHFSA-N 445.281 -1.941 50 20 IAGD CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835613178 KEEZMYRLMTZKFG-NRFANRHFSA-N 433.314 -1.176 50 20 IAGD CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783933659 CBYXTXSZZLGJOB-NRFANRHFSA-N 438.573 -1.173 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829819362 JYGCXGBEEQWEBR-NQIIRXRSSA-N 444.249 -1.237 50 20 IAGD O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833762392 PAKKNWPPZXTGFP-ZIAGYGMSSA-N 429.905 -1.244 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839704461 PZMOFRMREHUOIK-YVEFUNNKSA-N 435.861 -1.760 50 20 IAGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183885 GNWVPUQRRNTHPN-LIRRHRJNSA-N 442.517 -1.737 50 20 IAGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 764378506 JOBOCCAAYVNCRO-UHFFFAOYSA-N 445.411 -1.079 50 20 IAGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)c2)CC1 815778382 OPLBXHLKJVVEAZ-OAHLLOKOSA-N 439.494 -1.112 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940042 UKYLVAACRPSDDV-VLIAUNLRSA-N 433.270 -2.039 50 20 IAGD Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838213080 CUTCUFKYKHPGKE-NRFANRHFSA-N 440.265 -1.151 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3c2oc(=O)n3C)n(C)c1=O 757095553 FPTNWAABCSKJDG-UHFFFAOYSA-N 427.377 -1.660 50 20 IAGD CCc1cc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 806978613 BVHQPLDKBAGUJM-UHFFFAOYSA-N 445.411 -1.079 50 20 IAGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034646 RDRMDHUNLDYTEV-WOJBJXKFSA-N 449.464 -1.256 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783933458 JWVYVCJSAUATGL-HXUWFJFHSA-N 435.481 -1.496 50 20 IAGD O=C(CN1CCSCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792464208 FKASLBKVXGFLHB-HGKCTWBKSA-N 433.339 -1.382 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2)c1ccc(B(O)O)cc1 1795734176 HWAPMRFSKCIDFN-CCWDJLKJSA-N 435.249 -1.074 50 20 IAGD Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834089456 ZWZKEZODWZKOEP-UHFFFAOYSA-N 440.313 -1.006 50 20 IAGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732915091 ZSIIULLTHXJLSI-AWEZNQCLSA-N 432.485 -1.109 50 20 IAGD COCCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)CBr)CC1 758526283 AYVONQZTHWKPNI-UHFFFAOYSA-N 436.350 -1.231 50 20 IAGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764297732 XBGTTWLUPRRXBL-INIZCTEOSA-N 442.432 -1.247 50 20 IAGD Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 797534999 JGHYCGCYPHUBBG-GFCCVEGCSA-N 427.483 -1.145 50 20 IAGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 802067653 YEFLTTPFUWRQNE-UHFFFAOYSA-N 430.468 -1.045 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1779030952 LCYUNRWQPSQTCI-AUUYWEPGSA-N 433.469 -2.279 50 20 IAGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1782644791 SABKVAVTQYXUHN-IBGZPJMESA-N 449.537 -1.387 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782957588 SQLZZENRGXCXCW-APWZRJJASA-N 436.295 -1.613 50 20 IAGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734728 XOOLBYWAKBTCJH-CYGHRXIMSA-N 433.270 -2.279 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831764553 VHJGBASBCVQYGF-LJQANCHMSA-N 429.437 -1.208 50 20 IAGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)COC1 1837456103 IVWDHLJLPBPZFK-FQEVSTJZSA-N 433.465 -1.208 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1837711286 BKXMDVDYHOFTCB-RDTXWAMCSA-N 430.578 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NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794210150 MFBJRHLNZBDTTG-FBKDDSFISA-N 429.437 -1.465 50 20 IAGD Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736973 QKWIRJQCAZGOQP-JLVBRIDZSA-N 425.250 -1.209 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837816836 XKMGKBBCOUPUJE-OAQYLSRUSA-N 441.249 -1.149 50 20 IAGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 744385402 ZVHVEXFMFSLMBY-UHFFFAOYSA-N 428.449 -1.678 50 20 IAGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758050336 BJEAXLLGEYQWQP-SNVBAGLBSA-N 434.496 -1.357 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)n(C)c1=O 766638380 GDTKBUXMZIGCRX-GFCCVEGCSA-N 445.480 -1.238 50 20 IAGD CCCc1noc(CCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 766643068 KJFSOQUTQPMTOV-UHFFFAOYSA-N 432.441 -1.061 50 20 IAGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1CCN(C)CC1 1781099043 OBMGBPPYUBIKDR-UTKZUKDTSA-N 438.573 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2)c1cccc(B(O)O)c1 1795737374 BODTVPKFQHVTKJ-XEMDLRDOSA-N 431.298 -1.708 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835123765 TTXSLYKCAWWCLL-MGPUTAFESA-N 446.464 -1.966 50 20 IAGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934347 XCVKMUKHCCGZCM-NRFANRHFSA-N 442.281 -1.208 50 20 IAGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1837694840 PXHWYCXQISZLNY-BTYIYWSLSA-N 445.281 -1.873 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccn(CC(F)F)n2)n(C)c1=O 756868796 WBGWZYBWHKNIEQ-UHFFFAOYSA-N 425.356 -1.252 50 20 IAGD Cc1csc(CC(=O)NNC(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1 1320606475 DJQNRZUIAWVZPK-UHFFFAOYSA-N 436.498 -1.896 50 20 IAGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)o1 1787027953 SSYFBPRKHNUMCU-XIRDDKMYSA-N 428.254 -1.106 50 20 IAGD O=C(Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740239 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc2ncccn2n1 1796956643 FNISRKMFBJXIRN-MIFYACCESA-N 436.237 -1.679 50 20 IAGD Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1797623899 FYDBPZVMUHHKFY-FVCICTRLSA-N 428.258 -2.097 50 20 IAGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)C1(O)CCC1 1835933956 IEAWKRORCRSLFL-HRAATJIYSA-N 446.309 -1.013 50 20 IAGD O=C(Cn1cccn1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836165644 CWALONIQLMRFKC-FQEVSTJZSA-N 428.254 -1.667 50 20 IAGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)[C@H]1COCCO1)CC2 764424542 JDXZQXSSUBKVBQ-CQSZACIVSA-N 426.451 -1.563 50 20 IAGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnn1 1779037002 LWOGMQWZYZECKC-DJJJIMSYSA-N 428.453 -1.019 50 20 IAGD N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835637814 ODMHCQLEFZTBJD-DOMZBBRYSA-N 436.282 -1.027 50 20 IAGD CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835883091 YKMYRDQVHAYGIH-OAQYLSRUSA-N 433.314 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434.496 -1.640 50 20 IAGD O=C(Cn1cnnn1)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807610602 YMWSSJBOWPTYIL-APWZRJJASA-N 435.253 -1.232 50 20 IAGD CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839640016 NJVUCYXACQIRKZ-KKSFZXQISA-N 433.314 -1.223 50 20 IAGD Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)no1 1844308788 JUORJSCWJSNVFO-UHFFFAOYSA-N 426.238 -1.090 50 20 IAGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n(C)c1=O 760440073 QJNRXIVMLJEGPR-UHFFFAOYSA-N 437.457 -1.114 50 20 IAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764230727 KLKNPBVIEKWSBI-ZDUSSCGKSA-N 441.510 -1.415 50 20 IAGD CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)CC2)CC1 1830732843 BROBAJPZRKZHPU-VQIMIIECSA-N 444.960 -1.178 50 20 IAGD Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834233370 SYVBCWWKVFGTHQ-FQEVSTJZSA-N 428.254 -1.516 50 20 IAGD O=C(CN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835375492 YABRMDYAAJXBQM-QFIPXVFZSA-N 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O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)N1 1847563446 ODHXJMKEAFKTMF-QSLWVIQJSA-N 444.941 -1.032 50 20 IAGD C[C@H](NC(N)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 28663150 MFZUBRLJBVWMJW-LBPRGKRZSA-N 427.483 -1.156 50 20 IAGD COC[C@](C)(O)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636857 UYHSCIVPBGUXBI-SFHVURJKSA-N 428.511 -1.154 50 20 IAGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778954360 QLECHXQEJCGODO-XOBRGWDASA-N 432.286 -1.483 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)[C@@H](F)Br 1789925024 LBRKOJMTXULHTQ-PWNZVWSESA-N 440.310 -1.057 50 20 IAGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831601931 IVYYYIATMKDQAF-XOBRGWDASA-N 433.270 -2.052 50 20 IAGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835243852 IORRSSJACBTPNK-FQEVSTJZSA-N 436.270 -1.901 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707805 QUMPJZZLQNLECP-PZJWPPBQSA-N 448.524 -1.089 50 20 IAGD O=C(CN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929120 AFGVCEFVCNQYAF-OAQYLSRUSA-N 447.297 -2.231 50 20 IAGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938549 YASCYVNOSDRONN-VFNWGFHPSA-N 445.281 -1.873 50 20 IAGD Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1C 760396237 XKPWWXXEWJCZHA-CABCVRRESA-N 442.494 -1.221 50 20 IAGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766635354 BPZGQOTUKNVIJE-NSHDSACASA-N 434.457 -1.837 50 20 IAGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)N1 1834797961 PYGUHBSPYSQCMB-LJQANCHMSA-N 442.325 -1.170 50 20 IAGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)c1ccco1 1835935447 TXBBXSDYHYDRPL-NRFANRHFSA-N 442.233 -1.088 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840184678 AUMAJJVTAUTPCD-IFXJQAMLSA-N 425.486 -2.048 50 20 IAGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CCO1 764234796 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1795737714 LRMYPLOXPXLMDA-ZSBFGKGUSA-N 436.295 -1.524 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401339 KNVUNGLTYFMYHW-DABQJJPHSA-N 429.198 -1.485 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1796443897 PPLHUWZJNBGHHN-TWZAMVEPSA-N 430.465 -1.154 50 20 IAGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800975494 PPEMUOHBJBURQG-BSTOTGJRSA-N 425.833 -1.730 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833278816 KJDMXQMDRZEJGO-HXUWFJFHSA-N 435.481 -1.237 50 20 IAGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)C(=O)O 1839703714 ZEVJAVCWFYIENJ-GOSISDBHSA-N 445.545 -1.163 50 20 IAGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2C(=O)CNC2=O)cc1 733657856 OCFZVBFGJTWMLE-UHFFFAOYSA-N 426.455 -1.502 50 20 IAGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802762514 IMBADLUZQKMKEV-JTQLQIEISA-N 437.457 -1.258 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1778091178 PRDRQGGLOWIXHF-UXISMICKSA-N 433.513 -1.080 50 20 IAGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779217653 NXJPGWSAKCNLET-YWZLYKJASA-N 427.270 -1.262 50 20 IAGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783924455 NNRLLPBNSLVFFX-VQTJNVASSA-N 434.254 -1.574 50 20 IAGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784438507 IYPFUQPRMOFFFZ-HTOAHKCRSA-N 425.935 -1.106 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979539 WDJRCCCAUDHOCK-QRTARXTBSA-N 426.238 -1.231 50 20 IAGD O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791602026 CVHRUVZCRYOMRI-SZMVWBNQSA-N 440.265 -1.171 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2)c1cccc(B(O)O)c1 1795739222 RNLAXYBPWZNNPR-CCWDJLKJSA-N 435.249 -1.074 50 20 IAGD CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740343 VSIOZOCTMXNDLX-JNNRSPCRSA-N 431.298 -1.126 50 20 IAGD COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1831373126 DNOQLHVGECIKPF-OAQYLSRUSA-N 432.282 -1.137 50 20 IAGD Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935067 FDCPQEJPFUQXDU-IBGZPJMESA-N 429.242 -2.121 50 20 IAGD Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935316 OKOZEEIDWDLWGZ-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836147034 JLJWPAAAPFCBAA-SFHVURJKSA-N 445.440 -2.558 50 20 IAGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1836301296 AIUDOQZEIWBXMA-LJQANCHMSA-N 444.452 -1.505 50 20 IAGD CN1CCN(C2(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)CC2)CC1 1839106310 ZNNGRRIVGQUNLU-APWZRJJASA-N 444.960 -1.178 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ccc(B(O)O)cc1 1795734109 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CC(C)(C)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929185 FOKSNDWNHIFFIV-NRFANRHFSA-N 433.314 -1.176 50 20 IAGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801013442 XZQWPJPVZACEDM-UPHUGPLXSA-N 438.573 -1.414 50 20 IAGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832290009 PNIYMAAQDCJRFQ-OAQYLSRUSA-N 447.297 -1.695 50 20 IAGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cnnn1 1835933603 DHFCMLYVQSIXEY-AUUYWEPGSA-N 444.257 -2.316 50 20 IAGD CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1843837637 VURHREMYQWZFTG-UHFFFAOYSA-N 449.338 -1.145 50 20 IAGD O=C(CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 735493335 OJIWGSVHJNFYSR-GJZGRUSLSA-N 441.466 -1.557 50 20 IAGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830768474 NGHAOVDPLZZKRG-UGKGYDQZSA-N 445.325 -1.079 50 20 IAGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927161 JHACLTWOTOAVJQ-NRFANRHFSA-N 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433.465 -1.034 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784578322 HNFZCCSHSUSZGQ-HJPIBITLSA-N 432.437 -1.613 50 20 IAGD O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791180292 DFGPXFYTACDGIW-WDSOQIARSA-N 443.309 -1.028 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)c1ccc(B(O)O)cc1 1795735812 FPYDAKPQJZUTJZ-CCWDJLKJSA-N 426.238 -2.174 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829873184 FQHOWEIVZYMWHM-NRFANRHFSA-N 446.508 -1.149 50 20 IAGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835623145 SSQBMHMUUGEMPG-HXUWFJFHSA-N 444.253 -1.371 50 20 IAGD CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927529 RPHZLFJGQDGHJV-KLHJMIIUSA-N 434.298 -1.157 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160057 IEWBVEZIQPCTDX-FQEVSTJZSA-N 446.464 -1.029 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21)c1ccc(B(O)O)cc1 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50 20 IAGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 765128102 ZKIJGBWPFANXPG-GHMZBOCLSA-N 427.487 -1.723 50 20 IAGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1 784231257 VZTPHPUFPXKZSZ-UHFFFAOYSA-N 426.499 -1.730 50 20 IAGD Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 792703831 BTCZJWBCLUURAG-AWEZNQCLSA-N 438.418 -1.183 50 20 IAGD CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CC1 1778261288 YBXYCHCNKLRMKF-NRFANRHFSA-N 430.314 -1.943 50 20 IAGD O=C(CSc1nc[nH]n1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784388475 PIGAGYLROBPYOD-GOSISDBHSA-N 431.283 -1.280 50 20 IAGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787271004 OJHYVRFMVZXVGP-ZPFDUUQYSA-N 439.860 -1.340 50 20 IAGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)n1cnnn1 1797753921 CBRCDYBOJVNSJB-MCYUEQNJSA-N 429.441 -1.864 50 20 IAGD Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)[nH]1 1835927883 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CN(C)C(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765729206 VGAVMCFWHGTRPE-UHFFFAOYSA-N 427.421 -1.403 50 20 IAGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778954850 SDILNKJMYXFQLW-VBKZILBWSA-N 432.286 -1.483 50 20 IAGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778963896 WBJJFSOQBYLNNY-LIRRHRJNSA-N 426.518 -1.103 50 20 IAGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934373 FVMCRSJGTULLCG-HNAYVOBHSA-N 427.502 -1.660 50 20 IAGD O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935829 UPHXGZJDUKTWKP-NRFANRHFSA-N 445.281 -1.941 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1779028496 FUOIFFAOEXQRJZ-IBGZPJMESA-N 432.437 -1.419 50 20 IAGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)C(=O)C(=O)O 1782746965 FINPZJKBEKMLGG-IBGZPJMESA-N 448.436 -2.328 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1cccc(B(O)O)c1 1786982938 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CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984933 AWOXVLLJCUPLGN-CNJNMGJKSA-N 429.282 -1.000 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cn2cccnc2n1 1797387188 CIAQTUFMEXRWJJ-JLVBRIDZSA-N 435.249 -1.074 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834189216 ZMLNLCRNWKXLFS-NRFANRHFSA-N 441.249 -1.149 50 20 IAGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1835248456 PHJXDGHEGGQXBD-IBGZPJMESA-N 430.502 -1.521 50 20 IAGD O=C(Cn1ccnn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836207135 LAVALQKSWIVKHC-LJQANCHMSA-N 429.242 -2.272 50 20 IAGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnn1 1839711149 OMJRAYRICQCYMS-KXBFYZLASA-N 437.501 -1.332 50 20 IAGD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1839896107 KOOMPNOZJNFAJN-FQEVSTJZSA-N 446.265 -1.610 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840185969 UQWXAGXUWGFOGZ-GOSISDBHSA-N 446.526 -1.366 50 20 IAGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764425369 OZUXMKRGMQTLOD-LBPRGKRZSA-N 430.414 -1.232 50 20 IAGD Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cccc1=O 1786984474 JVEBPQYJOHPSQH-IEZWGBDMSA-N 439.277 -1.028 50 20 IAGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611366 WQLINDNBOMNGSL-OQUILHJVSA-N 444.492 -1.031 50 20 IAGD Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1838678945 BDGJMDIFQAOKIF-FQEVSTJZSA-N 428.254 -1.218 50 20 IAGD O=C(Cn1nccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839235587 BWILRRHJSZLOEE-IBGZPJMESA-N 429.242 -2.272 50 20 IAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264291 RYBFZMQZCWAHMF-ACJLOTCBSA-N 429.857 -1.378 50 20 IAGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 764432729 JRCWRLAMBJZTNF-INIZCTEOSA-N 433.465 -1.034 50 20 IAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CC(=O)N(C)C3)CC2)cc1 766637172 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C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 728509842 PUPXMSMHJXGLGS-SSDOTTSWSA-N 433.917 -1.009 50 20 IAGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779316005 HOMNGMWOTRUSQM-FXAWDEMLSA-N 433.270 -2.039 50 20 IAGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779317820 JUSJPZQHXRWZQW-HNAYVOBHSA-N 427.502 -1.660 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccc(=O)n1O 1785630046 DKCXYQLXIFTNLL-ZVZYQTTQSA-N 441.249 -1.328 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609672 AIPMUUXRRXLDQE-DTJGQCLQSA-N 432.481 -1.197 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794210151 MFBJRHLNZBDTTG-MIJXAVMKSA-N 429.437 -1.465 50 20 IAGD C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751516 BZQCZVQTTPXQBX-VWPFQQQWSA-N 442.480 -1.184 50 20 IAGD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)COC1 1835931886 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CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830622643 IORMJDHQNJAYDP-UTKZUKDTSA-N 434.298 -1.157 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832697085 LBVPUOOXPBKCFW-JKDFXYPNSA-N 432.861 -1.705 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834291604 JRUMFFUCHLJIOC-FQEVSTJZSA-N 426.238 -1.460 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834602495 XATJQQWAGHUGSQ-OAQYLSRUSA-N 442.233 -1.297 50 20 IAGD Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)nc1=O 915802921 WYHNINUFJJTURK-UHFFFAOYSA-N 437.434 -1.418 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837457979 ZKYDPJWNTZNVQH-LJQANCHMSA-N 444.452 -1.953 50 20 IAGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)[C@@H]1SC(=N)NC1=O 1843013792 OLENAKQFZJXZBQ-FZMZJTMJSA-N 430.295 -1.014 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCNC(=O)c2cccs2)n(C)c1=O 765724546 LUVXFTFWSDUICP-UHFFFAOYSA-N 433.450 -1.537 50 20 IAGD CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1=O 766636905 PZHHFNXFEVQCFD-VXGBXAGGSA-N 433.469 -1.382 50 20 IAGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)[nH]1 1831851096 NDNPSCDVNQUCOG-HXUWFJFHSA-N 428.254 -1.218 50 20 IAGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939903 NFUDQODENGKREN-LJQANCHMSA-N 435.242 -2.208 50 20 IAGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455616 AJHGQJAJCYCHKL-QVKFZJNVSA-N 445.476 -1.207 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837457640 MBORYAJEWGIYSD-UZLBHIALSA-N 433.465 -1.066 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 729274765 CKQIGSMJNLUFLP-DGCLKSJQSA-N 448.523 -1.157 50 20 IAGD O=C(C[C@H](C(=O)NN=C1COCCOC1)N1CCOCC1)NN=C1COCCOC1 814855006 CTXMYDSCLKMRGI-MRXNPFEDSA-N 427.458 -1.885 50 20 IAGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983974 IGGGGXNDWRIRMJ-KCMWZYNZSA-N 429.282 -1.350 50 20 IAGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cncn1 1791611120 BSPANHSBIPQQKZ-KCMWZYNZSA-N 427.270 -1.188 50 20 IAGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792981028 PGVOJCNLABFEQV-QIRZIZBZSA-N 425.873 -1.216 50 20 IAGD O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CN1 1835933894 FYWDNVLLEHHCJH-IIBYNOLFSA-N 445.281 -2.037 50 20 IAGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 734240920 WPTAFKJUVZODJR-VXGBXAGGSA-N 447.514 -1.123 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cncc(N3CCOCC3)c2)n(C)c1=O 757095151 AVENDPGPNRAIHF-UHFFFAOYSA-N 442.436 -1.874 50 20 IAGD Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764378035 HILBKDVPLJUIGF-UHFFFAOYSA-N 438.404 -1.600 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cn2cc(Br)cn2)n(C)c1=O 766639080 LWRLZSIIJKLFMK-UHFFFAOYSA-N 439.230 -1.760 50 20 IAGD COC(=O)c1cn(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1 766643127 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CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110920 PCQWUSAMEKFZQR-CULMDFNYSA-N 447.456 -2.611 50 20 IAGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831396971 UHDRTIQECZELJO-VFNWGFHPSA-N 445.476 -1.207 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840183990 MWSCXQCONUSMIB-CTNGQTDRSA-N 448.524 -1.089 50 20 IAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 729276638 JPJKCXFLGRVGGE-VIFPVBQESA-N 439.541 -1.549 50 20 IAGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1OC 771608157 RXCZAWGEVVYYJZ-MRVPVSSYSA-N 439.468 -1.262 50 20 IAGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785029999 WXLRNCHWIOTZLM-BPUTZDHNSA-N 444.253 -2.489 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834879 IIPNYOYBFVZVAV-CULMDFNYSA-N 445.436 -2.560 50 20 IAGD O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800204536 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CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932117 OIRBVTLPRLUQRO-KKSFZXQISA-N 433.314 -1.223 50 20 IAGD O=C(Cn1cncn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836134509 SPBJNPISMDJZQV-LJQANCHMSA-N 429.242 -2.272 50 20 IAGD CN(C)C(=O)Cn1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1 728332972 GLGLQVWEMNUWQK-CQSZACIVSA-N 432.393 -1.490 50 20 IAGD O=C(CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)NNC(=O)c1ccccc1 1319386914 VNPPXKLXXRNSDE-MRXNPFEDSA-N 437.522 -1.632 50 20 IAGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1791287909 CEOFMCVSIVKMNT-XUXIUFHCSA-N 438.485 -2.063 50 20 IAGD Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1833227390 DFCSFNBNKYCLJT-LJQANCHMSA-N 429.242 -2.121 50 20 IAGD O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)C(=O)N1 1833710744 QOQNMKJJDHWEKP-AWEZNQCLSA-N 429.905 -1.291 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932292 YANCFTMWSJNUKY-VLIAUNLRSA-N 433.270 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50 20 IAGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 766639070 LSJHPSVOLXIMLR-LBPRGKRZSA-N 433.469 -1.380 50 20 IAGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)NC1=O 766639774 QRAXZBMYYVMTKQ-VIFPVBQESA-N 441.404 -1.386 50 20 IAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3cnc(C#N)n3)CC2)cc1 769302983 WTBZSUZOQRYXGH-UHFFFAOYSA-N 446.493 -1.388 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833123129 AIMYMFMHIRCBJT-HXUWFJFHSA-N 434.497 -1.152 50 20 IAGD Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835929286 JATYEPZFPDUQDC-LJQANCHMSA-N 429.242 -2.121 50 20 IAGD O=C(c1ccc[n+]([O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935003 BSDKFRCEDCHYAP-NRFANRHFSA-N 441.249 -1.616 50 20 IAGD O=C(Cn1cnnn1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1836145906 OTFCACQJNNWNJA-GOSISDBHSA-N 430.230 -2.877 50 20 IAGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839144433 ZUXAANAMVYSZCR-DIFFPNOSSA-N 439.860 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1791289047 FDYVBYCKNMYNGJ-AJNGGQMLSA-N 426.518 -2.068 50 20 IAGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797695626 VDSGWVAQORWXIO-JJAZEVLHSA-N 432.286 -1.723 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835308958 TTXSLYKCAWWCLL-QRWLVFNGSA-N 446.464 -1.966 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835656489 MHWWGMCCDPWFEZ-SFHVURJKSA-N 444.558 -1.167 50 20 IAGD CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 914880751 VENGCPPFLCUPFO-NTEUORMPSA-N 439.432 -1.242 50 20 IAGD O=C(CN(CCO)CCO)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783255895 JJIBDWTUDJGCJW-FQEVSTJZSA-N 435.286 -2.904 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783937953 YRBUOZOJBSJYRW-KDOFPFPSSA-N 430.527 -1.234 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784954367 SBZAHNLONADMTR-IHRRRGAJSA-N 438.485 -2.109 50 20 IAGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727009 ZGEPLFMOOKQUMA-BBRMVZONSA-N 431.833 -1.153 50 20 IAGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835749819 PUVPFSCIKALBDD-OZVIIMIRSA-N 435.319 -1.181 50 20 IAGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840032172 POCISAPCEWRCIG-WQGACYEGSA-N 435.319 -1.181 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847951174 JVJOKELTMZYTRB-GJZGRUSLSA-N 426.433 -1.184 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)N2CCc3ccccc3C2)n(C)c1=O 765127692 XBQDWNIUUZZFSC-UHFFFAOYSA-N 447.477 -1.642 50 20 IAGD CCN1CCN(CC(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(=O)C1=O 919146960 VICRTQYZBKTBJF-UHFFFAOYSA-N 436.421 -1.301 50 20 IAGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccnn1 1782762006 JLAQMARDRDOJAU-ORAYPTAESA-N 428.453 -1.019 50 20 IAGD Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611533 KCLKHHKDPPGGFV-CQDKDKBSSA-N 428.453 -1.279 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1797750534 FLPUJGNXJUXTKV-FVCICTRLSA-N 446.464 -1.269 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1835929271 IBOTXZHSCLRKAU-OAQYLSRUSA-N 441.249 -1.149 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1835938198 PTKIOZGEPNIQDC-OAQYLSRUSA-N 444.249 -1.165 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836676937 SATUAQYAPLQLEW-QFBILLFUSA-N 432.949 -1.056 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837736947 NNYBLHPNSGDSGH-DAYGRLMNSA-N 435.905 -1.152 50 20 IAGD CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(=O)C(=O)O 1839704262 GYNMIUGTJYTBEE-OAHLLOKOSA-N 426.253 -1.211 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1779034667 RXYSNWXXODTVJY-SFHVURJKSA-N 437.478 -1.054 50 20 IAGD C=CC(=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 1788753329 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O=C(COc1ccc(O)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737039 ZFEKGNCFKNLYLL-YVEFUNNKSA-N 430.845 -1.383 50 20 IAGD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935800 RUVIWQTUNRMBRY-OAQYLSRUSA-N 442.281 -1.587 50 20 IAGD Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838679740 YCZNTILZKGFWBZ-HXUWFJFHSA-N 428.254 -1.218 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840873850 OJJPFZKXWPYFKD-DYESRHJHSA-N 432.282 -1.137 50 20 IAGD C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)NC(=O)C1CCCC1 766642382 FJRFAGPBJDWRIV-LLVKDONJSA-N 433.469 -1.334 50 20 IAGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](C)O)cc1 788022687 FBYFMTOAXJUOBK-DYEKYZERSA-N 433.508 -1.395 50 20 IAGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 788060011 ZGHYATHZNGKQAA-MRVPVSSYSA-N 428.514 -1.106 50 20 IAGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778963336 WBJJFSOQBYLNNY-AUUYWEPGSA-N 426.518 -1.103 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1835934376 XYUJHBSXTJGWDY-QFIPXVFZSA-N 445.325 -1.222 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460660 IODKQIXZCOZCGM-XCLFUZPHSA-N 448.480 -1.720 50 20 IAGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839885047 XEMQDJLWVKPZJF-HXUWFJFHSA-N 448.480 -1.719 50 20 IAGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cn(C)c(=O)n(C)c3=O)cc2)CC1 735115784 OVKUHSGLKDLMRW-UHFFFAOYSA-N 436.494 -1.223 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)nc(O)n3C)n(C)c1=O 766641712 BLFUSHWRVQSTKA-UHFFFAOYSA-N 426.393 -1.513 50 20 IAGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291139 MRWJISXKQZLTGK-AJNGGQMLSA-N 426.518 -1.214 50 20 IAGD COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791477170 NGQRTHMURSMQSJ-CQDKDKBSSA-N 434.453 -1.366 50 20 IAGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)N1CCN(C)CC1 1799182247 KBFJQJZCJAXVLL-PHXBYCTMSA-N 444.341 -1.795 50 20 IAGD 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445.436 -2.514 50 20 IAGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(=O)O 1835935564 LBYFWEMNPZUOHU-UZLBHIALSA-N 449.269 -2.501 50 20 IAGD O=C(O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ncn1 1794366923 SUXKSBIATNGQJB-FVCICTRLSA-N 440.221 -1.628 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cccc(B(O)O)c1 1795740234 IKPKOZOFOIEKGR-JJLQDPRZSA-N 429.198 -1.485 50 20 IAGD CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n1 1835929593 XTECDRSINVFFPL-OAQYLSRUSA-N 442.281 -1.033 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361425 OJXXWMAXLUMDFY-ROUUACIJSA-N 438.573 -1.346 50 20 IAGD C[C@H](CNC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1)S(N)(=O)=O 763695760 WIFIPDOWHINLOM-MRVPVSSYSA-N 437.272 -1.232 50 20 IAGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(=O)C(=O)O 1786985233 UAVFGWDFVXUSTA-BPUTZDHNSA-N 447.253 -2.497 50 20 IAGD O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793801890 GGLWVGZZSUFHJB-UPHUGPLXSA-N 443.309 -1.028 50 20 IAGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839876942 DWAGHHRLQPKSCD-VBKZILBWSA-N 433.270 -2.039 50 20 IAGD COc1cc2c(cc1OC)C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C(=O)N2 764817231 OMSZRCINVFMLAY-UHFFFAOYSA-N 441.404 -1.077 50 20 IAGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)nn1C 1780433907 AYXDMCWBSUQSLR-HXUWFJFHSA-N 428.254 -1.134 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1835934004 LAWMYOGMWRUGQS-JLMWRMLUSA-N 446.309 -1.013 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1835934981 ALNMHMRUVIRMEG-FQEVSTJZSA-N 426.238 -1.460 50 20 IAGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839883297 BAZFXHDKPPUSJA-HXUWFJFHSA-N 433.270 -2.037 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)n(C)c1=O 766643980 NBIFWIRUWIBGFR-SNVBAGLBSA-N 441.470 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O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1809978881 WSJHJYWJUKSELF-OAQYLSRUSA-N 445.325 -1.138 50 20 IAGD O=C(CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 735492579 KDYNNONWGPFLMY-CABCVRRESA-N 441.466 -1.557 50 20 IAGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 740853178 XEFUWKVMXBTUKI-UHFFFAOYSA-N 439.494 -1.127 50 20 IAGD COc1ccccc1C(=O)NCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730776 NWGSKJISSWKZJD-UHFFFAOYSA-N 443.420 -1.980 50 20 IAGD NNC(=O)c1ccncc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1779371151 JERMTLXEBZZWDD-BXTJHSDWSA-N 446.464 -1.079 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21)c1cccc(B(O)O)c1 1786982758 AQDNVBLQPWMQQJ-SZMVWBNQSA-N 445.281 -1.198 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791772098 QXQDRCPHHRKYEX-KKUMJFAQSA-N 432.543 -1.226 50 20 IAGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cccc(B(O)O)c3)(C1)C2 1795741415 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CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840183557 LXNBZIKPTHLYTA-QGZVFWFLSA-N 426.499 -1.019 50 20 IAGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC(=O)N2CCOCC2)cc1 776638370 TYZBTGCHOBLQOY-UHFFFAOYSA-N 427.483 -1.195 50 20 IAGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cn2nc3ccccn3c2=O)CC1 779204234 HOGVNSAFWNGAMB-UHFFFAOYSA-N 446.493 -1.030 50 20 IAGD C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802763445 VQUFCTQDBSPUTJ-LLVKDONJSA-N 428.405 -1.139 50 20 IAGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085806 PJSYJILZDUMZAY-QMVSFRDZSA-N 425.935 -1.106 50 20 IAGD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832487094 OLZUVBFKIWCKSH-GOEBONIOSA-N 441.909 -1.292 50 20 IAGD O=C(NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1cccnc1 1832724645 YUWMBRCAKIDDQU-DNVCBOLYSA-N 440.884 -1.133 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1835927501 QKVWDFFFYDFDDZ-FQEVSTJZSA-N 442.237 -1.754 50 20 IAGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n[nH]1 1838659734 XTBOVKRYPJNIPU-HXUWFJFHSA-N 428.254 -1.218 50 20 IAGD CCCC[C@@H](NC(=O)NCC)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 771271690 GUCKUOPXIJTXNT-LLVKDONJSA-N 436.473 -1.541 50 20 IAGD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609680 AIPMUUXRRXLDQE-SCTFDZSOSA-N 432.481 -1.197 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2)c1cccc(B(O)O)c1 1795740733 KCCUYYTUCFHLJP-CCWDJLKJSA-N 426.238 -1.561 50 20 IAGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832482868 RFAVSVBVJVSWFI-BZNIZROVSA-N 447.286 -1.222 50 20 IAGD O=C(Cn1cnnn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928013 AHPPUVZYJLKHPJ-SFHVURJKSA-N 430.230 -2.877 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1837457733 NRLHBELKHZOSJR-HXUWFJFHSA-N 443.464 -1.279 50 20 IAGD Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1838213082 CUTCUFKYKHPGKE-OAQYLSRUSA-N 440.265 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428.254 -1.516 50 20 IAGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c2)CC1 764203625 JEKFDADAYINHSG-UHFFFAOYSA-N 440.526 -1.340 50 20 IAGD CC(=O)NCC(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766661644 YDYMFQJXGJSHOF-UHFFFAOYSA-N 438.916 -1.143 50 20 IAGD NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 815262933 JACOXPZZGKITRD-FZMZJTMJSA-N 442.450 -1.568 50 20 IAGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784438512 IYPFUQPRMOFFFZ-YHQUGGNUSA-N 425.935 -1.106 50 20 IAGD COC[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 1788776779 KGNAHRQLFRQSBZ-QAETUUGQSA-N 441.529 -1.510 50 20 IAGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N1CCN(C)CC1 1795735280 VLPMTKKXPYPZIZ-PHXBYCTMSA-N 444.341 -1.795 50 20 IAGD Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834236134 QIBUNFPROKHTBV-FQEVSTJZSA-N 443.464 -1.198 50 20 IAGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 748552801 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441.249 -1.616 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1837715245 DTTDWTNPDLHEBE-MJGOQNOKSA-N 445.589 -1.055 50 20 IAGD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NNC(=O)[C@H]2COCCO2)c1 745999765 KXQRUWAOURDURC-GXFFZTMASA-N 429.455 -1.333 50 20 IAGD C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734097 CGPYGRWQRMDPPB-AMVTXUCVSA-N 439.281 -1.140 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834591957 RUYJNVDBNCKJNQ-NRFANRHFSA-N 442.233 -1.297 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834602015 GABHQMPLDNSGML-OAQYLSRUSA-N 442.233 -1.297 50 20 IAGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1C 750659461 PPZCZEVZYBCANM-UHFFFAOYSA-N 433.450 -1.285 50 20 IAGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 771973936 LSMMRIAYTMKQAE-NSHDSACASA-N 426.451 -1.090 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ncccn1 1794190117 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O=C(CNCP(=O)(O)O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835537545 PKOKZQUVCIALQN-RISCZKNCSA-N 429.794 -2.233 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061365 SHQYEHZOYGHQLM-NRFANRHFSA-N 441.249 -1.149 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(-n3cnnn3)cc2)n(C)c1=O 765731356 RHRGNEIMDJNMKX-UHFFFAOYSA-N 438.408 -2.201 50 20 IAGD CCOCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)CBr)CC1 810911527 BWAJVAZTILGGCY-UHFFFAOYSA-N 436.350 -1.231 50 20 IAGD C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779217623 NXJPGWSAKCNLET-FOIQADDNSA-N 427.270 -1.262 50 20 IAGD CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795734349 FTTDODXUWZEPCY-RMFSNUHRSA-N 444.341 -1.793 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2)c1ccc(B(O)O)cc1 1795734476 QJVSFQWGYQSGBT-JLVBRIDZSA-N 435.249 -1.074 50 20 IAGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835930731 WUXXJYRJWJTUES-QVKFZJNVSA-N 445.281 -1.873 50 20 IAGD CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934392 YHKMLDILBMCDIP-HXUWFJFHSA-N 448.285 -2.292 50 20 IAGD CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939319 MBRJEIITTKFURL-KKSFZXQISA-N 433.314 -1.223 50 20 IAGD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460657 IODKQIXZCOZCGM-RNODOKPDSA-N 448.480 -1.720 50 20 IAGD Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)no1 1843014150 CNWWKIMTGASKBX-UHFFFAOYSA-N 426.238 -1.090 50 20 IAGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 732285627 KDWVDJHSLLAFPX-UHFFFAOYSA-N 426.499 -1.682 50 20 IAGD Cc1cc(C(=O)NNC(=O)[C@@H]2COCCO2)cc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 753183063 LQLABBWPBLIKDI-GJZGRUSLSA-N 436.421 -1.652 50 20 IAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 758043105 FLWSHGXOZRWXJG-ZDUSSCGKSA-N 426.499 -1.405 50 20 IAGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778954847 SDILNKJMYXFQLW-JLTOFOAXSA-N 432.286 -1.483 50 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441.249 -2.115 50 20 IAGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831182517 KGKKYDJREAYHKQ-QVKFZJNVSA-N 447.297 -1.649 50 20 IAGD CN(C)C(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755445719 HTFVZFOIUZZXLS-UHFFFAOYSA-N 442.436 -1.012 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2CN(C(=O)OC(C)(C)C)C2)n(C)c1=O 784684994 WBBKZVRPPBQAFS-UHFFFAOYSA-N 435.441 -1.552 50 20 IAGD CN1CCOc2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc21 807091244 IZEWIJQBBYKRCF-UHFFFAOYSA-N 427.421 -1.277 50 20 IAGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1322683677 AWRGLDVCAQEQRK-UONOGXRCSA-N 431.515 -1.783 50 20 IAGD O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CN1 1783626944 ARQRRIKQFGCBQP-LAQRGFTBSA-N 429.282 -1.514 50 20 IAGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934593 JGBAAUGWLGKDGR-IFXJQAMLSA-N 426.518 -1.103 50 20 IAGD CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784745070 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C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 799529244 FJFMRMSGOWNHST-ZCFIWIBFSA-N 443.301 -1.205 50 20 IAGD CN(C)C(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373179 KPYVFUMSTOZZRK-FOIQADDNSA-N 432.481 -1.099 50 20 IAGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1 1779895875 OUHYQFGYCCZOLW-HXUWFJFHSA-N 426.238 -1.078 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2)c1ccc(B(O)O)cc1 1795732593 ZNDAMAWJNHZCAC-FVCICTRLSA-N 440.221 -1.628 50 20 IAGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nn1C 1798758538 YEVZGYHTHMYWBH-DPIQGUFMSA-N 443.464 -1.056 50 20 IAGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1116345761 GMWKOWGIAHLMCW-HUUCEWRRSA-N 431.559 -1.511 50 20 IAGD O=C(Cn1ccccc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787016079 OVEFCHQSNRHYMO-WDSOQIARSA-N 439.277 -1.178 50 20 IAGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)C1(O)CCC1 1835926605 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O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)=NN1 1810218965 JMCWMPVHGHNDPD-KXBFYZLASA-N 435.249 -1.043 50 20 IAGD CCOC(=O)c1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1C 757593476 NCPZPUBNKKMCTN-UHFFFAOYSA-N 446.424 -1.198 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cn3cccn3)o2)n(C)c1=O 766641310 XHCMNADLBRUKAN-UHFFFAOYSA-N 426.393 -1.267 50 20 IAGD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(=O)nc1O 1784096411 WHANIKPZDMNYKI-XUXIUFHCSA-N 428.873 -1.163 50 20 IAGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833088487 IIVVSGNUWWEKFE-NRFANRHFSA-N 442.281 -1.358 50 20 IAGD Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938177 OQIILLJAXKHTSP-NRFANRHFSA-N 440.265 -1.151 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837523512 WOTMOYKZHYKYDY-QILLFSRXSA-N 435.905 -1.653 50 20 IAGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1840153027 BDEPDQRZUBBBSN-MPGHIAIKSA-N 435.905 -1.152 50 20 IAGD CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030169 HMXVNGBDOYPPFD-RNODOKPDSA-N 432.481 -1.005 50 20 IAGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031578 BTGOVCDGDWKCSX-RBZFPXEDSA-N 430.465 -1.181 50 20 IAGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725108 DVQGMISXLTUPLZ-DVOMOZLQSA-N 426.919 -1.277 50 20 IAGD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934234 QTTXGQTUYMULGC-NRFANRHFSA-N 447.297 -1.695 50 20 IAGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934390 YHKMLDILBMCDIP-FQEVSTJZSA-N 448.285 -2.292 50 20 IAGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1N1CCOCC1 764229544 AZFKHZDCGXHZRI-GFCCVEGCSA-N 427.483 -1.145 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccnc2N2CCOCC2)n(C)c1=O 766634154 FBVZBXCJPQTHLN-UHFFFAOYSA-N 442.436 -1.874 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782957589 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NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800198393 AEOULCFPSKQCPO-IVWMJMPLSA-N 441.448 -1.855 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833973498 QYURZSWXHVOOCJ-HXUWFJFHSA-N 426.238 -1.460 50 20 IAGD O=C(CN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835395117 CPPSJCZJOHKHBW-OAQYLSRUSA-N 447.297 -2.231 50 20 IAGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926436 NHJNYSPJJKKHMR-FQEVSTJZSA-N 448.285 -2.292 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078662 YLCWFHRLFUGLRS-ZSOFBXJNSA-N 448.480 -2.522 50 20 IAGD CCc1cccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764378783 OAGTVKZBDQNNFK-UHFFFAOYSA-N 427.421 -1.218 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)n(C)c1=O 765730970 QAZHSVYNXCUFAB-PHIMTYICSA-N 445.436 -2.244 50 20 IAGD CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1=O 766636901 PZHHFNXFEVQCFD-NWDGAFQWSA-N 433.469 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50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)n(C)c1=O 790785165 WUJZBYAUWJFAIN-LBPRGKRZSA-N 426.393 -1.831 50 20 IAGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N1CCN(C)CC1 1795735279 VLPMTKKXPYPZIZ-BOLBYERCSA-N 444.341 -1.795 50 20 IAGD O=C1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)=NN1 1807362884 WWXSSJRCKHRJMP-KXBFYZLASA-N 435.249 -1.043 50 20 IAGD O=C(NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1)c1cccc(B(O)O)c1 1834801165 RZGDCQBSZHVGES-UHFFFAOYSA-N 440.313 -1.157 50 20 IAGD NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835558961 QACRZZAVVAPWPZ-JXFKEZNVSA-N 448.285 -2.971 50 20 IAGD CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(=O)O 1835766950 ZVNFOLPFSSSDRW-IFXJQAMLSA-N 443.501 -2.122 50 20 IAGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)N1CCN(C)CC1 1839105407 DZIVUWORVSXPGG-FCEWJHQRSA-N 432.949 -1.322 50 20 IAGD O=C(CCn1cncn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840356507 GBJSGJCUSHXVMZ-FQEVSTJZSA-N 443.269 -1.882 50 20 IAGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F 765643281 KAWZHEZSECVHLS-MRVPVSSYSA-N 446.504 -1.166 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cn2cc(-c3ccccc3)nn2)n(C)c1=O 765730891 PKLYOCPYMUIGFU-UHFFFAOYSA-N 437.420 -1.460 50 20 IAGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)NC1=O 766639768 QRAXZBMYYVMTKQ-SECBINFHSA-N 441.404 -1.386 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)n(C)c1=O 771651352 XDQJCAFAXUFSBQ-LLVKDONJSA-N 443.486 -2.455 50 20 IAGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnn1 1779037004 LWOGMQWZYZECKC-YJYMSZOUSA-N 428.453 -1.019 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2)c1cccc(B(O)O)c1 1795740323 SOMYVRKTARLNDR-FVCICTRLSA-N 440.221 -1.628 50 20 IAGD CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 750453916 MROPOKYHGWLXAK-SMDDNHRTSA-N 427.435 -1.059 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778849233 DEVCJPKFKIXPPZ-IBGZPJMESA-N 443.468 -1.538 50 20 IAGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785029856 QVOXHEGAUFIJAF-BPUTZDHNSA-N 444.253 -2.489 50 20 IAGD O=C(CCn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933572 CDSYMZHCEYDWFF-FQEVSTJZSA-N 443.269 -1.882 50 20 IAGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729277265 XMDRGHBXJIEYOL-LLVKDONJSA-N 436.512 -1.161 50 20 IAGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1 807252340 ZSKFVZBZVYSIHN-UHFFFAOYSA-N 439.454 -1.041 50 20 IAGD Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1788505579 MLPGMNGVNAPXLK-BPUTZDHNSA-N 442.285 -1.707 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797750510 DBQHOVUDTASXAH-DDFAGTSDSA-N 444.408 -1.167 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835743335 JDMGMUVDMVTRBB-KSSFIOAISA-N 430.578 -1.113 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837456039 HUAHBIWNJPTDFH-NRFANRHFSA-N 446.508 -1.149 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1837457422 AJRNAHHJHIPECL-FQEVSTJZSA-N 443.464 -1.348 50 20 IAGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1N1CCOCC1 764229545 AZFKHZDCGXHZRI-LBPRGKRZSA-N 427.483 -1.145 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(C#N)cc2F)n(C)c1=O 765128030 ZAIBBHZWNUYLIC-UHFFFAOYSA-N 435.397 -1.546 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCN2c2ncccn2)n(C)c1=O 766646345 ZPPKSOSIVRBQPZ-LLVKDONJSA-N 427.425 -1.960 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779091845 GUNFTRDLKJHHSZ-QUCCMNQESA-N 448.480 -2.221 50 20 IAGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831601929 IVYYYIATMKDQAF-VBKZILBWSA-N 433.270 -2.052 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838317115 VXBYSELDDOELMQ-GOSISDBHSA-N 431.409 -1.548 50 20 IAGD COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840186094 ZLPLLNXFTVZXCX-SFHVURJKSA-N 429.474 -1.828 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 729274767 CKQIGSMJNLUFLP-YPMHNXCESA-N 448.523 -1.157 50 20 IAGD Cn1nncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611494 FKBNMLVBTCDZHZ-PJODQICGSA-N 428.453 -1.279 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1835931373 PLOFORKSNPBFAE-NRFANRHFSA-N 444.249 -1.165 50 20 IAGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 772747869 VTZSOFXYXQTHHV-UHFFFAOYSA-N 429.477 -1.022 50 20 IAGD CCOc1cccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 799922130 DDQBEKBJXZGGFX-UHFFFAOYSA-N 436.450 -1.158 50 20 IAGD O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790581516 IPLYAFVIRXUHAH-SZMVWBNQSA-N 440.265 -1.783 50 20 IAGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](O)CCl)C4)C3)cc21 1834560633 NUGPRTFDAIEYLQ-KDOFPFPSSA-N 441.872 -1.704 50 20 IAGD C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)C(=O)O 1840839296 MCADCBUVCFGHFB-CPPNXCSESA-N 426.470 -1.153 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)n(C)c1=O 765726145 ZCTGGTFZWBXMOD-UHFFFAOYSA-N 440.420 -2.065 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1797751750 RDRZRLHXTQBCFX-AODNKKSCSA-N 448.480 -2.461 50 20 IAGD O=C(NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803148535 SERCUHXZXRYEQV-XYJFISCASA-N 428.917 -1.026 50 20 IAGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)N1 1834526250 WFIYBOHCZVUZHZ-IBGZPJMESA-N 442.325 -1.170 50 20 IAGD N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)c1 1838736224 RJDRESREUHLIOX-NRFANRHFSA-N 438.249 -1.050 50 20 IAGD CCOC(=O)N1CCC(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 765725358 RBZLVKBSRFCKDB-UHFFFAOYSA-N 435.441 -1.550 50 20 IAGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2c(C)n[nH]c2n1 766637017 RMASDJZZCCPJEY-UHFFFAOYSA-N 425.409 -1.217 50 20 IAGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)n1ccnn1 1779037001 LWOGMQWZYZECKC-BFUOFWGJSA-N 428.453 -1.019 50 20 IAGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792488473 BKKWFGPKZUSMDJ-XJPXHFRYSA-N 427.266 -1.572 50 20 IAGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837210993 CIIFYKPPJAMBCF-OGHNNQOOSA-N 437.877 -1.239 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839872510 YHCGPKKANUZFSO-IFXJQAMLSA-N 425.486 -2.048 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 772635594 DMKKHCVTESTXQZ-SNVBAGLBSA-N 425.475 -1.050 50 20 IAGD O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)=NN1 1779307296 KOMPFSYIVLNBFX-OXQOHEQNSA-N 428.254 -1.630 50 20 IAGD Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979700 MCZRONQZFULLHA-BPUTZDHNSA-N 442.285 -1.707 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1787508440 XXVIRVUKWCEGKZ-HMEDOYGISA-N 433.469 -1.232 50 20 IAGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831272583 SFPSNBXFALHMPU-RXULLKCLSA-N 448.480 -1.287 50 20 IAGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1)[C@H](O)CCl 1833312541 QVFQKEZENFNGGQ-VQIMIIECSA-N 432.949 -1.192 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845809436 GBYUOGNYLHLGJR-CIAFOILYSA-N 432.437 -1.133 50 20 IAGD CN(C)N(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CCS(=O)(=O)C1 1317798314 ONAAUHFBQKVWKO-AWEZNQCLSA-N 444.535 -1.087 50 20 IAGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CN 1796338722 OGHJQMDTVOIBHQ-NDKCEZKHSA-N 433.937 -1.006 50 20 IAGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n[nH]1 1838659733 XTBOVKRYPJNIPU-FQEVSTJZSA-N 428.254 -1.218 50 20 IAGD 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427.483 -1.270 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2nnnn2C2CC2)n(C)c1=O 766642521 GCRHECXUFVURPJ-UHFFFAOYSA-N 434.442 -2.305 50 20 IAGD C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783530990 BLNSYGDTZZNQQL-SMDJPQOOSA-N 441.293 -1.182 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979724 BQNKKEWRAUPWPL-NOLJZWGESA-N 442.237 -1.525 50 20 IAGD Cn1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1791666896 CEKSPAMODPSFLL-WDSOQIARSA-N 426.282 -1.064 50 20 IAGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2=O)cc1 758041502 ZHVSLCWIMIPHJB-PIGZYNQJSA-N 425.467 -1.153 50 20 IAGD Cn1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797754493 ZJIPISAIKZCGMJ-ZSBFGKGUSA-N 427.465 -1.136 50 20 IAGD NC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1808270231 VGEPHCQJZIAFLP-COXVUDFISA-N 426.481 -1.314 50 20 IAGD Cc1nc2ccc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cn2n1 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O=C(Cc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933760 CFIPUWLXSAEJNT-NRFANRHFSA-N 440.265 -1.531 50 20 IAGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839881473 XOBMOCQINSCLRN-LIRRHRJNSA-N 427.502 -1.660 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cnc(Cl)c(F)c2)n(C)c1=O 761965690 PPFXDAIRCVVUIR-UHFFFAOYSA-N 445.820 -1.369 50 20 IAGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1cnnn1 1786986625 ROGIEDRTLCLPBP-QCPWZWHMSA-N 428.258 -1.793 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1835940005 SIMGTRGRPDGMAK-NZBFNNPHSA-N 446.309 -1.013 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1837710445 ZCENPTVYAYKEHN-FZKQIMNGSA-N 442.545 -1.108 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840183539 LFHQSVMBMYRQCN-LJQANCHMSA-N 436.469 -1.375 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840185796 SWTOZYCJCNCYFK-IBGZPJMESA-N 439.469 -1.390 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50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834602014 GABHQMPLDNSGML-NRFANRHFSA-N 442.233 -1.297 50 20 IAGD C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(=O)O 1835933646 FLTLWQOCDLKODB-JYHGAKRHSA-N 432.238 -1.533 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840183556 LXNBZIKPTHLYTA-KRWDZBQOSA-N 426.499 -1.019 50 20 IAGD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183905 HHXPUVVBDHMAEH-YWZLYKJASA-N 441.529 -1.317 50 20 IAGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cnnn1 1840479985 KRRFQPKSYCLGEX-KSSFIOAISA-N 438.489 -1.937 50 20 IAGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759637980 ZCSSVKCRQKCDLG-UHFFFAOYSA-N 446.555 -1.374 50 20 IAGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 769302526 SXNFYOXWHPRYMY-UHFFFAOYSA-N 431.409 -1.374 50 20 IAGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC(=O)NC)c(=O)n2Cc1ccccc1 772013317 ODSYLLCWSJZTIE-UHFFFAOYSA-N 441.448 -1.289 50 20 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O=C(Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734086 BKNGMJFYQYOFCG-JLVBRIDZSA-N 438.249 -1.397 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832690769 HGFFXAQWTKIFOB-ACJLOTCBSA-N 442.545 -1.108 50 20 IAGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)nn1C 1835929640 ZSXXLLFFUAILDU-NRFANRHFSA-N 442.281 -1.208 50 20 IAGD CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934236 QTTXGQTUYMULGC-OAQYLSRUSA-N 447.297 -1.695 50 20 IAGD O=C(c1cncc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939951 PYRMTJKSQWNHHF-OAQYLSRUSA-N 441.249 -1.149 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236481 CYOXKILWPPXCAT-IBGZPJMESA-N 444.452 -1.953 50 20 IAGD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979736 CGLJPJXINFYQKW-JXIYXGQPSA-N 431.298 -1.174 50 20 IAGD O=C(CN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929452 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2)c1ccc(B(O)O)cc1 1795734548 SJDIDWPTBNVFLQ-CCWDJLKJSA-N 435.249 -1.074 50 20 IAGD CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835882586 CSTNFEFFAHLHQC-OAQYLSRUSA-N 433.314 -1.176 50 20 IAGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729277286 YDSWGSJGPOARBC-JTQLQIEISA-N 434.496 -1.357 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782957879 ZODSDMSARVOVMV-APWZRJJASA-N 436.295 -1.613 50 20 IAGD C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725112 DVQGMISXLTUPLZ-IOASZLSFSA-N 426.919 -1.277 50 20 IAGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CN1 1835931945 IQMMXXRLNBKZGE-YWZLYKJASA-N 431.254 -2.428 50 20 IAGD CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933726 BIVWFGQHHHPVSP-GHTZIAJQSA-N 431.298 -1.469 50 20 IAGD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)cn1 1835935053 DDJBAMZTCHGAIJ-NRFANRHFSA-N 440.265 -1.151 50 20 IAGD O=C(Cc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935313 OIUKJSZXLQNCSM-OAQYLSRUSA-N 440.265 -1.531 50 20 IAGD CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935748 PDCPFXJPQMXGFL-RRMPHLOHSA-N 433.314 -1.190 50 20 IAGD Cc1ccc(C(=O)NCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 765726206 ZYWPLCRBIHTWRS-UHFFFAOYSA-N 441.448 -1.372 50 20 IAGD CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NNC(=O)Cc1nc(C)cs1 781904418 CXLPURJWFVLLTR-LBPRGKRZSA-N 427.483 -1.478 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983560 NUDSWQHGYANBPJ-SZMVWBNQSA-N 446.313 -1.667 50 20 IAGD O=C(CN(CCO)CCO)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980241 PYZRXDMKACJSIS-UHFFFAOYSA-N 447.341 -1.502 50 20 IAGD Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)n1 1834797471 MIXIVYSXDSYTAI-UHFFFAOYSA-N 440.313 -1.006 50 20 IAGD CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936947 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C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 756837696 IWZIDGVGIKVARG-UTUOFQBUSA-N 445.502 -1.391 50 20 IAGD CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786981939 HCKHOAIYOQLHHY-XIRDDKMYSA-N 432.286 -1.769 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1797750524 DPDRUAIWICCEBM-WDAIWFPHSA-N 441.391 -1.002 50 20 IAGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797942138 WAFVLCQQEWBLSF-JRATXPSKSA-N 430.465 -1.421 50 20 IAGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832014878 FHCPXBPPPOFPTB-UGSOOPFHSA-N 429.857 -1.642 50 20 IAGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 744686171 PAVBSKRDMMBQSK-HUUCEWRRSA-N 448.457 -1.102 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2)c1cccc(B(O)O)c1 1795738883 JBQMMEFUYOSJJZ-JLVBRIDZSA-N 435.249 -1.074 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576174 JFZMOPLOINMGMY-SCLBCKFNSA-N 427.458 -2.076 50 20 IAGD O=C1CN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)C(=O)N1 1833308172 KRXXUTFODGXWIJ-AWEZNQCLSA-N 429.905 -1.291 50 20 IAGD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1)[C@@H](O)CCl 1833308333 SOYMCFRRCVNGIF-AWEZNQCLSA-N 429.905 -1.291 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1835929269 IBOTXZHSCLRKAU-NRFANRHFSA-N 441.249 -1.149 50 20 IAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835934136 MDNSDAAUUFVPQA-APWZRJJASA-N 440.689 -1.310 50 20 IAGD O=C(CCc1ncc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939680 DPMUJGPLHWKGIL-NRFANRHFSA-N 442.281 -1.208 50 20 IAGD CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457886 UVKOYAHGXYVUPB-OXQOHEQNSA-N 434.497 -1.247 50 20 IAGD O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cc21 1843998449 DGRHJGILBXTNAS-UHFFFAOYSA-N 437.265 -1.173 50 20 IAGD COCCOc1ncccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766637392 SLMFMYBCGXYHMX-UHFFFAOYSA-N 431.409 -1.685 50 20 IAGD O=C(CCN1CCOC1=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1778159890 AZCHSVAUDOVFCX-FQEVSTJZSA-N 431.254 -1.348 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1779032007 JNGGQMQGRVPFCV-IBGZPJMESA-N 443.468 -1.538 50 20 IAGD O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793942284 RKNBSULYENHARW-FAXLKDOZSA-N 430.226 -2.832 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1835928424 OQAYVUWNUBWZHE-HXUWFJFHSA-N 426.238 -1.460 50 20 IAGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cncn1 1835934256 QNSUXDTWAWSNHM-MGPUTAFESA-N 443.269 -1.711 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1835937490 ZQKDGARGAGGSCH-HXUWFJFHSA-N 426.238 -1.460 50 20 IAGD COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840183677 SZLPWQRWICVCFG-LJQANCHMSA-N 428.486 -1.231 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1844263974 PYYVVNOPFCBSNJ-UHFFFAOYSA-N 437.420 -1.453 50 20 IAGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 779846170 IGMUOZFEFLGONL-UHFFFAOYSA-N 436.468 -1.627 50 20 IAGD O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)=NN1 1837359864 ISJIBGYWAHUQHL-IBGZPJMESA-N 430.226 -2.688 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837870786 XCFUPGKYYCOUIP-FQEVSTJZSA-N 426.238 -1.460 50 20 IAGD Nc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n1 1778848920 ULPUTWHSDQTOEP-LJQANCHMSA-N 428.258 -1.857 50 20 IAGD O=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)=NN1 1815344055 DMUMOKOUYSZJCL-NSHDSACASA-N 427.251 -1.075 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(-n3ccnn3)c2)n(C)c1=O 757734985 OBHBYBINVDPSDG-UHFFFAOYSA-N 438.408 -1.133 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc(-c3cnccn3)n2)n(C)c1=O 766635560 IRSDYUSIYHEEHG-UHFFFAOYSA-N 441.433 -1.192 50 20 IAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753919 BTGQQJAKYWWFGR-IVWMJMPLSA-N 447.496 -1.739 50 20 IAGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929625 ZGZMARNERLZHFG-HXUWFJFHSA-N 436.270 -1.901 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1837461562 YRAKCPZSDDXDRO-FQEVSTJZSA-N 431.449 -1.266 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837816710 UFFHLYSCRGATJO-OAQYLSRUSA-N 441.249 -1.149 50 20 IAGD O=C(CCn1ccnn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840446817 JKMIPDSJQZBQRQ-HXUWFJFHSA-N 443.269 -1.882 50 20 IAGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@@H](C)O1 732260730 HAFUZNWUGRYJID-TUVASFSCSA-N 430.527 -1.331 50 20 IAGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 733087776 CEAGAQRDTNSPLJ-UHFFFAOYSA-N 437.434 -1.347 50 20 IAGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 759637896 XPLGSRBVTBOZTN-UHFFFAOYSA-N 447.539 -1.725 50 20 IAGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1ccnn1 1782762008 JLAQMARDRDOJAU-YJYMSZOUSA-N 428.453 -1.019 50 20 IAGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nn1C 1793127536 BQHGCRGLZUGGBY-CWPLJXCYSA-N 426.282 -1.146 50 20 IAGD Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834326445 CYOJTBFTKNKJBG-HXUWFJFHSA-N 443.464 -1.198 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1837456699 LXGGTDWGJYPULS-FQEVSTJZSA-N 443.464 -1.348 50 20 IAGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840342440 XDHRGCGVRRUUQL-FNEOHHHZSA-N 440.265 -1.127 50 20 IAGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1c[nH]c(=O)cn1 1780121074 BTTFCKXGLHDOTN-DYESRHJHSA-N 440.265 -1.109 50 20 IAGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291141 MRWJISXKQZLTGK-XQLPTFJDSA-N 426.518 -1.214 50 20 IAGD CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795598676 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NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632368 KSHZETQKZCQQAF-VAECKANCSA-N 433.469 -2.519 50 20 IAGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nn1C 1795737835 YZVJPEOARZLYOD-CWPLJXCYSA-N 426.282 -1.146 50 20 IAGD O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801300248 NJZSDQBKAAOKEP-YWVIFJGQSA-N 431.283 -1.520 50 20 IAGD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1834170877 WZPARCIDIQJSNM-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926667 XZUVQSFBJOYEOD-WIYYLYMNSA-N 447.297 -1.649 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837457581 JWNUORYNUGLNMR-QRWLVFNGSA-N 446.464 -1.966 50 20 IAGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840032170 POCISAPCEWRCIG-MKBNYLNASA-N 435.319 -1.181 50 20 IAGD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCCN1 1839122368 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C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730796 ODCOVJKRWMEYJR-NSHDSACASA-N 433.469 -1.334 50 20 IAGD Cn1nc([C@H]2CCCO2)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 788725582 LGULUFUIVXQJOO-LLVKDONJSA-N 445.440 -1.128 50 20 IAGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778781275 DQUONECKFVNMRU-HNAYVOBHSA-N 435.242 -2.126 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791397114 URUCCYIJGDRJCN-KKUMJFAQSA-N 435.481 -1.736 50 20 IAGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnn1 1839711146 OMJRAYRICQCYMS-DNVCBOLYSA-N 437.501 -1.332 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(C(=O)NC3CC3)c2)n(C)c1=O 784153859 FMUGYMCUMSOSKO-UHFFFAOYSA-N 439.432 -1.213 50 20 IAGD C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741043 WQZQBTXDXGUURF-ZZXMYQEDSA-N 434.254 -1.815 50 20 IAGD O=C1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)=NN1 1819666409 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IAGD NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835565589 CURXNTMMKNJZIB-WBIUFABUSA-N 439.282 -1.274 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835940040 UKYLVAACRPSDDV-JLTOFOAXSA-N 433.270 -2.039 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1837457428 AVIVKWXUCBDQHY-IBGZPJMESA-N 445.436 -1.502 50 20 IAGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cnnn1 1840479983 KRRFQPKSYCLGEX-KDOFPFPSSA-N 438.489 -1.937 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 758043103 FLWSHGXOZRWXJG-CYBMUJFWSA-N 426.499 -1.405 50 20 IAGD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)O 1779031165 MUNPAVLNXFOQDB-AUUYWEPGSA-N 434.453 -1.809 50 20 IAGD Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1=O 1786983486 QEUCLUVOMBYMLT-SNRMKQJTSA-N 439.277 -1.028 50 20 IAGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1831272574 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430.465 -1.181 50 20 IAGD O=C(CN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786723242 YQIBCKJDHLLWGI-WDSOQIARSA-N 431.298 -1.708 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792466487 WGNGYDPUQOQVQO-ZSBFGKGUSA-N 448.549 -1.063 50 20 IAGD CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795598675 UUSPIOXZUXYPJC-ALXJQNPVSA-N 428.298 -1.149 50 20 IAGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807693289 VALNQFAUJOWBHS-FRYIKTPZSA-N 438.293 -1.196 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839160651 LVOQKPCXYBEOAH-YXRQIMCMSA-N 448.480 -1.289 50 20 IAGD COc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1[C@]1(C)NC(=O)NC1=O 745833796 FBLIVHSQKIHJGB-INIZCTEOSA-N 427.439 -1.015 50 20 IAGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 745996083 LZUWXMHTWCSZCO-KBPBESRZSA-N 426.474 -1.061 50 20 IAGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 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C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 764229628 BIYJRSRYQHAHNG-SECBINFHSA-N 429.430 -1.024 50 20 IAGD Cn1nc([C@@H]2CCCO2)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 788725583 LGULUFUIVXQJOO-NSHDSACASA-N 445.440 -1.128 50 20 IAGD O=C(CN(CCO)CCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790908568 ONYKPKFCLPIXBR-WDSOQIARSA-N 449.313 -2.754 50 20 IAGD O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795772621 POUCGVKVEJEMDS-CWPLJXCYSA-N 425.250 -1.569 50 20 IAGD O=C(NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1)c1cccc(B(O)O)c1 1834800221 ZJJQGHYKIMHLEZ-UHFFFAOYSA-N 441.301 -1.762 50 20 IAGD O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840342441 XDHRGCGVRRUUQL-KTBYTZPXSA-N 440.265 -1.127 50 20 IAGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@@H](C)O1 732260728 HAFUZNWUGRYJID-KBUPBQIOSA-N 430.527 -1.331 50 20 IAGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1782642634 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425.250 -1.418 50 20 IAGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)[C@H]1SC(=N)NC1=O 1830728037 NJXPOTPXTVWCSJ-SHFDMQKMSA-N 448.929 -1.155 50 20 IAGD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833879573 GOTQEQROTRLXGF-LJQANCHMSA-N 429.242 -2.121 50 20 IAGD O=C(c1ccnnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935616 VSSKDDZTEQEJJC-HXUWFJFHSA-N 426.238 -1.460 50 20 IAGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779284325 JCCGARMPSQRPQA-RBZFPXEDSA-N 430.465 -1.181 50 20 IAGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978643 HASSOMZPEFYKLF-WNHJNPCNSA-N 431.298 -1.126 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794565917 KPMHQYPZUZYLKX-CULMDFNYSA-N 427.421 -1.302 50 20 IAGD CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1 1795734069 AOFFBWXUKOFPLY-XEMDLRDOSA-N 430.314 -2.183 50 20 IAGD O=C1NCCn2nc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)cc21 1830725539 PNZJWEHVDNMFFF-KBXCAEBGSA-N 441.872 -1.704 50 20 IAGD Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936917 JUZGBKMPLUJKJR-HXUWFJFHSA-N 428.254 -1.218 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1843415351 MYETWHWZMQGKBX-HKNSOBRKSA-N 429.437 -1.078 50 20 IAGD O=C(CCc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1782634915 XTSOCFAXKCHWNO-NRFANRHFSA-N 440.265 -1.062 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1783937604 VZVNEFHFIVUPLI-GOSISDBHSA-N 427.458 -2.268 50 20 IAGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cnnn1 1784597436 BTMYNMMIOJXVAI-XIKOKIGWSA-N 429.441 -1.624 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789970414 WJHFXXQVYHKGCV-RCBQFDQVSA-N 428.453 -1.430 50 20 IAGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831316984 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50 20 IAGD O=C(Cn1cnnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1815681593 SUVLKGJIUQFUEV-LBPRGKRZSA-N 427.255 -1.265 50 20 IAGD N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835509188 BKSHTRAZWMCKLH-SFHVURJKSA-N 436.299 -1.937 50 20 IAGD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185603 SSKBMPQFRPIULM-LIRRHRJNSA-N 427.502 -1.660 50 20 IAGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccc(B(O)O)cc3)(C1)C2 1795736949 RUNUWVSBDOVGMN-QRHGTZESSA-N 442.277 -1.087 50 20 IAGD N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1838736024 FOJYJWCQCRXIDA-NRFANRHFSA-N 438.249 -1.050 50 20 IAGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 768612909 RUUSWBMJVQKBEB-UHFFFAOYSA-N 436.450 -1.011 50 20 IAGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793247104 KTNRVESFFOBGIB-KOFHJDLBSA-N 432.481 -1.197 50 20 IAGD NC(=O)CC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809683064 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CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CCC1=O 1793784454 KPQWQCGPLMUQNY-ZSBFGKGUSA-N 428.254 -1.822 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2)c1cccc(B(O)O)c1 1795738960 JVGPQQAUJNTQQN-CCWDJLKJSA-N 440.265 -1.138 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833531268 RAMQUZREEBAFLD-SFHVURJKSA-N 447.477 -1.080 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835933908 GLXFNOFPYMJIQK-MAUKXSAKSA-N 426.662 -1.964 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1835938210 QGWYPOGEBPIQTR-HXUWFJFHSA-N 426.238 -1.460 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1837710019 CMTDDDIZWCPKRB-GOSISDBHSA-N 442.545 -1.154 50 20 IAGD CNS(=O)(=O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 751565482 HNPXXRWXOVILRV-UHFFFAOYSA-N 448.523 -1.663 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)c1ccc(B(O)O)cc1 1795734584 UCEVPIAQUAMIAF-DRXBFXEBSA-N 428.210 -1.915 50 20 IAGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734635 UUGQSKBZZBNUKO-JJAZEVLHSA-N 432.286 -1.723 50 20 IAGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cc1O 1833404887 XTABHWVORCNSGM-HXUWFJFHSA-N 444.253 -1.811 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834585495 AXOKLBQVEFGEHZ-NRFANRHFSA-N 441.249 -1.149 50 20 IAGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929624 ZGZMARNERLZHFG-FQEVSTJZSA-N 436.270 -1.901 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836210949 WQIQMNKZLQSXCQ-IBGZPJMESA-N 444.452 -1.953 50 20 IAGD Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)[nH]1 1835934207 PTQDPCINLPBRKC-HXUWFJFHSA-N 428.254 -1.218 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836676936 SATUAQYAPLQLEW-LPHOPBHVSA-N 432.949 -1.056 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078377 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2)c1cccc(B(O)O)c1 1795739245 WMFJNVHSFPUCFO-MIFYACCESA-N 436.237 -1.679 50 20 IAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801302521 DOGZXDROOLJSMI-DRXBFXEBSA-N 425.515 -1.141 50 20 IAGD C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831396966 UHDRTIQECZELJO-BTYIYWSLSA-N 445.476 -1.207 50 20 IAGD COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835932295 YGVHKHBKAGGBHA-HXUWFJFHSA-N 446.265 -1.610 50 20 IAGD NC(=O)CC[C@H](N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199512 PFYOEXGVZKZHBK-ITDIGPHOSA-N 439.282 -1.274 50 20 IAGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840201124 GOFHRWFTDDNWMU-HZMBPMFUSA-N 431.795 -1.279 50 20 IAGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841582439 HDAGXDZQLCTEOL-GFCCVEGCSA-N 438.510 -1.170 50 20 IAGD Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 730203596 UNJIKFWITIHABK-JTQLQIEISA-N 427.526 -1.046 50 20 IAGD O=C(CC1(CC(=O)NNC(=O)[C@@H]2COCCO2)CCCC1)NNC(=O)[C@@H]1COCCO1 744645202 RHQKKYRBZPQFMX-KBPBESRZSA-N 442.469 -1.547 50 20 IAGD CCOc1cccc(NC(=O)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764378091 JLAUGULSYPTTAR-UHFFFAOYSA-N 443.420 -1.382 50 20 IAGD COC[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 1788774027 PFEBVJVSXYTPCS-WNHJNPCNSA-N 447.297 -1.889 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2)c1cccc(B(O)O)c1 1795739263 XXQVEAWJJVRIHF-JLVBRIDZSA-N 435.249 -1.074 50 20 IAGD Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c(=O)nc1O 1796192881 VUVCYLYBIPLDQU-BJWYYQGGSA-N 440.265 -1.111 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1797748416 XFEKRLPUJDPRQJ-JRATXPSKSA-N 430.465 -1.586 50 20 IAGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N1CCN(C)CC1 1801012517 MUAKLYFUYAWIQS-LJCCNALRSA-N 438.573 -1.415 50 20 IAGD 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NJTOVGOEQADBQK-UHFFFAOYSA-N 447.477 -1.056 50 20 IAGD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983471 VJYDJMJTXKQLDA-FDARSICLSA-N 431.298 -1.174 50 20 IAGD O=C(NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362909 KQHSIVRGGQHSAJ-QFBILLFUSA-N 435.253 -1.232 50 20 IAGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727019 ZGEPLFMOOKQUMA-CZUORRHYSA-N 431.833 -1.153 50 20 IAGD O=C(NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1cccnc1 1832724647 YUWMBRCAKIDDQU-KXBFYZLASA-N 440.884 -1.133 50 20 IAGD Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834396450 ZXSRDXMWZFHOGT-FQEVSTJZSA-N 443.464 -1.198 50 20 IAGD NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835749021 YTQQLOPONVQJNU-GMXABZIVSA-N 439.282 -1.274 50 20 IAGD Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)cn1 1835929466 PXGVCLOYBCIPME-FQEVSTJZSA-N 428.254 -1.516 50 20 IAGD Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938412 UPDHUUDAALNODZ-HXUWFJFHSA-N 428.254 -1.218 50 20 IAGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cnnn1 1835940132 VMPMFVBYESUJRF-AUUYWEPGSA-N 444.257 -2.316 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1837460093 UGGMVCHGFRWGIU-FQEVSTJZSA-N 443.464 -1.279 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837816702 UFFHLYSCRGATJO-NRFANRHFSA-N 441.249 -1.149 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921031 ZGSVRTJSKUQKKJ-GOSISDBHSA-N 435.441 -2.577 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779091846 GUNFTRDLKJHHSZ-UYAOXDASSA-N 448.480 -2.221 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786892151 QOHMDTSWWWPPIO-AJNGGQMLSA-N 426.518 -2.068 50 20 IAGD CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787524201 HNVYVCBORDDWIP-SZMVWBNQSA-N 431.298 -1.268 50 20 IAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832482891 RXNRQMOZIIOBBG-PXAZEXFGSA-N 432.861 -1.752 50 20 IAGD Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cs1 1835791042 JGVUONAFXVUCDC-LJQANCHMSA-N 446.294 -1.211 50 20 IAGD O=C(Cn1cnnn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935779 QWWRGRHWBRJTHW-GOSISDBHSA-N 430.230 -2.877 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840449217 HKPKRFKCGBNEIO-IBGZPJMESA-N 437.501 -1.502 50 20 IAGD COC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 788060022 ZGHYATHZNGKQAA-QMMMGPOBSA-N 428.514 -1.106 50 20 IAGD NC(=O)c1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724561 HZKMJSDGBZQNHP-UGSOOPFHSA-N 426.857 -1.150 50 20 IAGD O=C(Cc1ncccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927605 UZNRCEKWKXVWBY-OAQYLSRUSA-N 440.265 -1.531 50 20 IAGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnn1 1840185576 SIKMDCORVJJYSE-HNAYVOBHSA-N 437.501 -1.332 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 758045320 NVUZZUAPTKBDCU-MNOVXSKESA-N 435.503 -1.413 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932262 WBOLQEOXVSGAHR-MOPGFXCFSA-N 428.486 -1.195 50 20 IAGD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934599 JGBAAUGWLGKDGR-LIRRHRJNSA-N 426.518 -1.103 50 20 IAGD O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CCN1 1791345991 LJLILZOSWDTVNB-IKICRFKJSA-N 429.282 -1.514 50 20 IAGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738784 SNXOSQNWZNYIOU-HZMBPMFUSA-N 431.795 -1.279 50 20 IAGD CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1832061976 FCRPFSNWELPTHA-UWJYYQICSA-N 446.508 -1.151 50 20 IAGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1840150528 MPKCVVHMZDUWJX-SJCJKPOMSA-N 432.861 -1.752 50 20 IAGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)no1 1840368101 VHDUVRPTQBYXCW-NRFANRHFSA-N 443.265 -1.024 50 20 IAGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2C(=O)CNC2=O)cc1 731118131 OJCQFOAMWLWYAF-UHFFFAOYSA-N 440.482 -1.112 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780602958 JTTXNJOAVKYCSE-ZFCANOHDSA-N 425.530 -1.404 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1ccc(B(O)O)cc1 1795732916 QNDDXQFSCBJKDB-ZSBFGKGUSA-N 443.225 -1.626 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1797748581 KEDNEYYJWXYZJC-IVWMJMPLSA-N 425.449 -1.079 50 20 IAGD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749526 BTUBLRLBZWYQPE-DRXBFXEBSA-N 443.464 -1.056 50 20 IAGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800183160 UYBLWGGTZDUFCY-XOIINTDNSA-N 434.327 -1.946 50 20 IAGD O=C1NC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)O1 1835934118 ONYZLNGWXFDGJO-HNAYVOBHSA-N 433.226 -2.455 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1837457245 ZWZJSGCWAIMYFY-SFHVURJKSA-N 447.477 -1.080 50 20 IAGD C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2)C(=O)O 1840187268 QCSNWVHBOIRQAC-LMICACPXSA-N 426.470 -1.153 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840194116 ACKONXPVWNDVIO-SFHVURJKSA-N 446.526 -1.366 50 20 IAGD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840565173 WFOVPIIIPSRSPD-OAQYLSRUSA-N 433.314 -1.223 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848072504 YONSDAFVYRZEAV-GJZGRUSLSA-N 429.543 -1.708 50 20 IAGD Nc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1778848721 MUSXFBRDHBSRIT-IBGZPJMESA-N 428.258 -1.857 50 20 IAGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(=O)C(=O)O 1795737134 VXBUFQPVUIVDTN-YWVIFJGQSA-N 433.226 -2.887 50 20 IAGD Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834324961 UMMBZYUGCJQZQS-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD O=C(Cn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935358 BVKCFZCVUSJYQE-LJQANCHMSA-N 429.242 -2.272 50 20 IAGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1F 1835935429 SMAAPIJSTPFWRX-HXUWFJFHSA-N 446.244 -1.079 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840185363 OQDUPODDTLDIOS-MGPUTAFESA-N 439.513 -1.563 50 20 IAGD O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013106 IUYSCOPMXWJVNR-UHFFFAOYSA-N 435.311 -2.086 50 20 IAGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(=O)O 1786896342 NPWPZGGCGBZLIA-LLLHUVSDSA-N 433.270 -1.978 50 20 IAGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)N1C[C@H]2C[C@H]2C1 1795734207 JAMJOOVYRYPFBC-LNZAMEHWSA-N 427.310 -1.090 50 20 IAGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1)c1cccc(B(O)O)c1 1796571423 ZEQKRJDEZLIEEM-BTTYYORXSA-N 437.225 -1.942 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835640400 URWSCSYKOWZPBG-LJQANCHMSA-N 439.517 -2.344 50 20 IAGD O=C1NC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)O1 1835927868 ZAZJSFBXNZANLI-KXBFYZLASA-N 433.226 -2.455 50 20 IAGD CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935507 ICHYKKAMMCVGCH-GOSISDBHSA-N 440.283 -2.519 50 20 IAGD Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935671 YWUZWDHAXDDICT-IBGZPJMESA-N 429.242 -2.121 50 20 IAGD CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837456336 KXNXSWYVFUQEKD-UZLBHIALSA-N 435.481 -1.228 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236482 CYOXKILWPPXCAT-LJQANCHMSA-N 444.452 -1.953 50 20 IAGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cnc2n(C)c1=O 764165325 WNQFUFNIHXCGOT-CQSZACIVSA-N 438.400 -1.278 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOc2ccccc2[N+](=O)[O-])n(C)c1=O 765725492 SVLOQPHZQOAUPJ-UHFFFAOYSA-N 445.392 -1.042 50 20 IAGD CCNC(=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 1788562395 OKPSINBQBMNEDQ-KCMWZYNZSA-N 446.313 -1.333 50 20 IAGD CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790558559 XWRAHGYPPCHVEO-CNJNMGJKSA-N 429.282 -1.000 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832697086 LBVPUOOXPBKCFW-NVGCLXPQSA-N 432.861 -1.705 50 20 IAGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1840154544 YVVQTVOYALLWSF-XIKOKIGWSA-N 441.872 -1.101 50 20 IAGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 742062107 IQIDMDIDJCZFNS-SNVBAGLBSA-N 426.455 -1.126 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(C(F)(F)F)nc2)n(C)c1=O 777812488 GJGUJNPUPSPSMS-UHFFFAOYSA-N 426.315 -1.296 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 797673438 DGPBKOXEGVBJED-SNVBAGLBSA-N 434.500 -1.044 50 20 IAGD CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933727 BIVWFGQHHHPVSP-RXVVDRJESA-N 431.298 -1.469 50 20 IAGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846560406 KGBJVMVEVNEJCI-GOSISDBHSA-N 439.281 -1.346 50 20 IAGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2S1(=O)=O 758032134 ZRYRUWNGJGZQST-VIFPVBQESA-N 432.480 -1.062 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185601 SSKBMPQFRPIULM-KUHUBIRLSA-N 427.502 -1.660 50 20 IAGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc2O1 764227819 RXSQQLODIKZFDN-CABZTGNLSA-N 428.423 -1.961 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)n(C)c1=O 766646336 ZNVIKSLMYDEXRC-UHFFFAOYSA-N 449.468 -1.162 50 20 IAGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1784371595 VGPDZMCEQPALFQ-RKVPGOIHSA-N 427.889 -1.114 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791343805 IRYDNNMLNOMSHS-PYTWLRIVSA-N 444.492 -1.195 50 20 IAGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727017 ZGEPLFMOOKQUMA-CJNGLKHVSA-N 431.833 -1.153 50 20 IAGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832325931 FBODUAMUUYKUFU-INIZCTEOSA-N 447.286 -1.220 50 20 IAGD Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834392617 GBLMBFLPXWRSIU-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD O=C(Cc1cc[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939833 KALBPTIRLKYQBT-FQEVSTJZSA-N 428.254 -1.598 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1837710020 CMTDDDIZWCPKRB-SFHVURJKSA-N 442.545 -1.154 50 20 IAGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1840151159 XAEVNDZRGRRLCI-JKDFXYPNSA-N 432.861 -1.705 50 20 IAGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1cncn1 1840417697 ZWOQRDVMGIBEJV-QRWLVFNGSA-N 443.269 -1.711 50 20 IAGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)[C@@H]1SC(=N)NC1=O 1843011316 RLGRBWSXWIOQLE-RISCZKNCSA-N 430.295 -1.014 50 20 IAGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 764426572 VBMOJEDBLBPUJK-INIZCTEOSA-N 449.464 -1.517 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2S(C)(=O)=O)n(C)c1=O 766633230 AEJSCCXAMHPBEZ-UHFFFAOYSA-N 434.434 -1.702 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777828869 CJHUDMCPIUWDEK-FQEVSTJZSA-N 436.237 -1.439 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783937961 YRBUOZOJBSJYRW-RDTXWAMCSA-N 430.527 -1.234 50 20 IAGD O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786745939 PXTRDTDQLPWEEZ-IHPCNDPISA-N 445.325 -1.318 50 20 IAGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983286 LQMUUQRRFOSEAN-IKICRFKJSA-N 431.298 -1.126 50 20 IAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1835541613 AKOZYSKOEOOMQQ-DOMZBBRYSA-N 443.821 -1.579 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1835938209 QGWYPOGEBPIQTR-FQEVSTJZSA-N 426.238 -1.460 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840183054 OYHKEBYQBOBACV-MGPUTAFESA-N 439.513 -1.658 50 20 IAGD O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@@H]2COCCO2)C1)[C@@H]1COCCO1 744642312 BNVFGZLRGKHIKQ-MQYQWHSLSA-N 428.442 -2.082 50 20 IAGD CCC(CC)[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1 766644937 QTMJOWITIQGLLQ-OAHLLOKOSA-N 449.512 -1.282 50 20 IAGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 815778976 LWWPNJCHKHWGSO-CVEARBPZSA-N 432.433 -1.034 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932263 WBOLQEOXVSGAHR-OALUTQOASA-N 428.486 -1.195 50 20 IAGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984191 PFPCUANOBGHRSO-CBVHJVASSA-N 441.297 -1.113 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)[C@@H](F)Br 1799346124 CVWWDTCGMCRRHD-LRMGWDNHSA-N 444.221 -1.294 50 20 IAGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)[nH]1 1831849940 DUMPZHZKSNPZIA-FQEVSTJZSA-N 428.254 -1.218 50 20 IAGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832793245 HKJPVAWPZDVTMG-CJNGLKHVSA-N 431.833 -1.153 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833836787 DAMUCVKJHMQWFL-LJQANCHMSA-N 436.469 -1.375 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n(C)c1=O 766644880 QOVRRQMQTWTALU-CYBMUJFWSA-N 443.395 -1.087 50 20 IAGD O=C(CCN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795468787 YSCRFUVNCWBMAK-XEMDLRDOSA-N 431.298 -1.708 50 20 IAGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800281534 UMRPCYKRYPLOEF-WJNVRWDZSA-N 428.829 -1.054 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838647638 PCWZWMHSNHIYGN-NRFANRHFSA-N 441.249 -1.149 50 20 IAGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839646836 PGZWGSVOZGEFAM-RKZJEGACSA-N 445.281 -1.524 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CN(C(=O)OC(C)(C)C)C2CC2)n(C)c1=O 753654910 FBFYRPAMDDTTOI-UHFFFAOYSA-N 449.468 -1.019 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n(C)c1=O 766638709 JABCFLDGLQIQKD-LLVKDONJSA-N 443.420 -1.777 50 20 IAGD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 766643028 JBNAZIWDUDFKNA-STQMWFEESA-N 447.496 -1.134 50 20 IAGD C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779218720 SUQZOJARSRRVAL-FOIQADDNSA-N 427.270 -1.262 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1797753945 FJBJGBPIGPBEPI-JRATXPSKSA-N 430.465 -1.586 50 20 IAGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cnn1C 1834422899 RMMRYNGZQSWPEK-OAQYLSRUSA-N 442.281 -1.208 50 20 IAGD CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835385899 YTBQVRWVLIBEFQ-FQEVSTJZSA-N 434.497 -1.293 50 20 IAGD O=C(Cn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928675 UWUKJLTYSSNNPF-LJQANCHMSA-N 429.242 -2.272 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1837710444 ZCENPTVYAYKEHN-ACJLOTCBSA-N 442.545 -1.108 50 20 IAGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2S1(=O)=O 758058051 XGDSVLIZRIDZMU-SECBINFHSA-N 448.479 -1.824 50 20 IAGD Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cc1O 1779029102 QWJAURRUYNUYBH-IBGZPJMESA-N 429.437 -1.119 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379944 NWTKUQJTVHAVJT-GOSISDBHSA-N 429.198 -1.245 50 20 IAGD CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748673 RCLZMLXAOXCHTD-YWVIFJGQSA-N 432.481 -1.197 50 20 IAGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)o1 1835928686 VFAZROVDWZHTGW-FQEVSTJZSA-N 444.253 -1.629 50 20 IAGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830768472 NGHAOVDPLZZKRG-SIKLNZKXSA-N 445.325 -1.079 50 20 IAGD O=C(Cn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929275 ICYDAROHZNJZIA-HXUWFJFHSA-N 428.254 -1.667 50 20 IAGD O=C(Cn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935462 FVWPIMLUQVTWAQ-LJQANCHMSA-N 429.242 -2.272 50 20 IAGD Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457110 VUEJUMIDMOBALB-HXUWFJFHSA-N 443.464 -1.198 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1843416339 YCVLKEVVUBPXGC-SDLXJUDFSA-N 432.481 -1.026 50 20 IAGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037153 PZUBRHBYAIPLPI-YWZLYKJASA-N 430.465 -1.251 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cccc(CC#N)c2)n(C)c1=O 794593868 ZTSOXRYSCUWIOQ-UHFFFAOYSA-N 431.434 -1.491 50 20 IAGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)CNC(=O)c1cccs1 812882950 WRHRDJXFQWGDIB-LLVKDONJSA-N 445.523 -1.156 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358692 HVOMHVMTWIYMQC-ZOCCPBQNSA-N 439.494 -1.245 50 20 IAGD O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)O1 1833514151 YBKMVPGEYOEMKL-SFHVURJKSA-N 444.297 -1.340 50 20 IAGD Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)cn1 1834081995 FWXPGTAFBBBESA-NRFANRHFSA-N 440.265 -1.151 50 20 IAGD O=C(CNCP(=O)(O)O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834663280 KFEHCTBTLVRRHR-CQSZACIVSA-N 440.865 -1.118 50 20 IAGD O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834895997 SJVRGEIGTGPOKC-UHFFFAOYSA-N 440.313 -1.157 50 20 IAGD CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(=O)O 1835928279 ICZNOLKPPYCHKT-JXFKEZNVSA-N 449.269 -2.501 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838535818 DAKXVIIPGRUSJX-NRFANRHFSA-N 449.508 -1.172 50 20 IAGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372857 JOIFJRMKPHHYDR-BTHPGYMESA-N 438.293 -1.196 50 20 IAGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927175 KAAPXMSBLIRCFU-VFNWGFHPSA-N 447.297 -1.649 50 20 IAGD O=C(Cn1cccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836165650 CXEUCFBGHJRVSE-FQEVSTJZSA-N 428.254 -1.667 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839879143 PVINGAJNUINWQG-XCLFUZPHSA-N 448.480 -1.720 50 20 IAGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)[C@H]3COCCO3)cn2)CC1 756548258 JLTKJWQGWKRNTR-CYBMUJFWSA-N 428.471 -1.269 50 20 IAGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766655855 XTVXTJORRGLKGZ-UHFFFAOYSA-N 425.511 -1.080 50 20 IAGD O=C(Cn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834384447 WDNHMQWHYIHBJH-FQEVSTJZSA-N 428.254 -1.667 50 20 IAGD CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939065 DIMPPSCMQQKRGT-GCJKJVERSA-N 445.325 -1.222 50 20 IAGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1840030503 ODWDNRTYSKHKNK-MEDUHNTESA-N 447.286 -1.222 50 20 IAGD CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733018 XUUMFVZITFZBDC-CWPLJXCYSA-N 431.298 -1.124 50 20 IAGD Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834393773 ZHPMFPLXYVJTTH-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)NNC(=O)[C@H]1COCCO1)[C@@H]1COCCO1 761165442 HCVPAKIVPYRYBM-SYQHCUMBSA-N 428.442 -2.082 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cn2c(O)nc3ccccc32)n(C)c1=O 765723993 GTZQBPKVBAKRSN-UHFFFAOYSA-N 426.393 -1.663 50 20 IAGD CCN(C)C(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765727675 MEZVEPGGVMUIGL-UHFFFAOYSA-N 441.448 -1.013 50 20 IAGD Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1=O 1786980145 NOQIJUXEAMXXPH-SNRMKQJTSA-N 439.277 -1.028 50 20 IAGD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c1 1834445272 YETOOBFRMCPPGK-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)COC)c2)CC1 764300839 YIBYLXSYOZCFKN-UHFFFAOYSA-N 427.483 -1.255 50 20 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COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011650 ULFPOJZFGAGXIU-BASYENTBSA-N 427.502 -1.900 50 20 IAGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)N1 1834800931 BCMWYVVELBLQNC-LJQANCHMSA-N 442.325 -1.170 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840183737 WIYZFBBWNLKYHQ-HXUWFJFHSA-N 434.497 -1.152 50 20 IAGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)n1nnnc1C(C)(C)C 758365194 ZVFBGGCHWHPRNR-VIFPVBQESA-N 432.445 -1.874 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)n(C)c1=O 765730491 LHTGOFXHYMWFCT-UHFFFAOYSA-N 439.388 -2.123 50 20 IAGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836300783 LVLIZFANKAPVQL-LJQANCHMSA-N 429.242 -1.823 50 20 IAGD CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840565171 WFOVPIIIPSRSPD-NRFANRHFSA-N 433.314 -1.223 50 20 IAGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1791293280 RTGPCSWSJBXEET-VPCSNGCSSA-N 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446.570 -1.070 50 20 IAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 755353419 GWKGBFSNQRVGSN-NSHDSACASA-N 449.511 -1.202 50 20 IAGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783876945 YKUNIACYDXPUDH-QLJPJBMISA-N 425.833 -1.490 50 20 IAGD O=C(/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)NC1CC1 1795734332 MKFFYXKDNNWTFX-YUBWNGLZSA-N 427.266 -1.596 50 20 IAGD CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)C(=O)O 1835756599 OKAZGUIQCDBGQQ-OXJNMPFZSA-N 449.269 -2.501 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1835929146 CDLIYGQQCJKCJX-OAQYLSRUSA-N 432.282 -1.137 50 20 IAGD CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839640311 YHGIFUBNZOEGGH-IIBYNOLFSA-N 433.314 -1.223 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840183010 YXUYYNDRBCAEED-LJQANCHMSA-N 436.469 -1.375 50 20 IAGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840201127 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CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)C(=O)O 1835756029 ACSXMZZIRCTRJJ-OXJNMPFZSA-N 449.269 -2.501 50 20 IAGD O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCN1 1835939822 JNDFODQCAZGUDP-KKSFZXQISA-N 445.281 -2.037 50 20 IAGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831182516 KGKKYDJREAYHKQ-BTYIYWSLSA-N 447.297 -1.649 50 20 IAGD COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835934357 XRUFTFPBBSLVAJ-NRFANRHFSA-N 432.282 -1.137 50 20 IAGD Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936940 KYFIMGGZKYQEPQ-IBGZPJMESA-N 446.294 -1.090 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129813 AKUDCDJBEINGEP-UHFFFAOYSA-N 444.278 -1.351 50 20 IAGD COc1cc(C#N)ccc1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766634011 CWMXYYYPZSDUGP-UHFFFAOYSA-N 441.404 -1.460 50 20 IAGD O=C(CCn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791646982 JPLYVJYCVZZFCJ-SZMVWBNQSA-N 427.270 -1.359 50 20 IAGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)N1C[C@H]2C[C@H]2C1 1797629523 QRKFALWUWPTZGM-LNZAMEHWSA-N 427.310 -1.090 50 20 IAGD CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797747985 BDHXBJIXOBHVAG-RMHZUWNSSA-N 432.481 -1.197 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833273742 DOGBQOPTKVHEEP-OAQYLSRUSA-N 441.249 -1.616 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1835935654 XHQVXUZVJXYSNL-HXUWFJFHSA-N 426.238 -1.460 50 20 IAGD CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936946 LGXUUIVOEHODRI-VFNWGFHPSA-N 447.297 -1.697 50 20 IAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1838331293 YJYYUDAQFDOZON-KZULUSFZSA-N 441.872 -1.101 50 20 IAGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1840032153 OZBZCGQDOBJUDV-HWWQOWPSSA-N 435.319 -1.181 50 20 IAGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1840151463 CHTGMFWTCUBVNX-SWLSCSKDSA-N 443.821 -1.579 50 20 IAGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)CC1 728957195 MFVMSOFXZFNWEL-UHFFFAOYSA-N 425.515 -1.525 50 20 IAGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764233361 VTTLWOCFTHQTTG-NSHDSACASA-N 438.466 -1.036 50 20 IAGD CC(=O)Nc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 765729507 CMXTZHCWPOIYCF-UHFFFAOYSA-N 431.384 -1.008 50 20 IAGD CNS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 784658936 SWJQUIRLGKQNGL-UHFFFAOYSA-N 435.532 -1.807 50 20 IAGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(=O)C(=O)O 1782747713 SQZWKKKXSDHHKR-IBGZPJMESA-N 433.226 -2.647 50 20 IAGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786793067 VPHFVFUVPNAKPG-CYDGBPFRSA-N 427.822 -1.055 50 20 IAGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796321509 XITZHXNKCCBBPB-JLUCKKNBSA-N 433.469 -1.665 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1797753801 FYSBNHVDRZHSHE-IVWMJMPLSA-N 441.448 -1.855 50 20 IAGD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)no1 1832924598 LCAMAWCOQPLBMW-HXUWFJFHSA-N 444.253 -1.629 50 20 IAGD NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835558962 QACRZZAVVAPWPZ-OXJNMPFZSA-N 448.285 -2.971 50 20 IAGD Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)n1 1835935262 KZTVFEIRTLLQJR-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840607605 SFGKGODMFVGDTP-OOSNJVJTSA-N 430.266 -1.671 50 20 IAGD O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011749 OMHNSAZCKHPHRW-UHFFFAOYSA-N 433.233 -1.100 50 20 IAGD CCc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnc2c1c(=O)n(C)c(=O)n2C 758040478 QQRRYWWRBHUCPF-QMMMGPOBSA-N 426.455 -2.107 50 20 IAGD COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1[N+](=O)[O-] 765732874 XVUHGWOZJHGCMF-UHFFFAOYSA-N 431.365 -1.188 50 20 IAGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)N1CCN(C)CC1 1781096471 RGTRCHPXCZETCO-JTSKRJEESA-N 444.341 -1.554 50 20 IAGD O=C(O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791299830 INYUPJMKVHOWFG-BPUTZDHNSA-N 436.295 -1.223 50 20 IAGD O=C(CCN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795468771 XXIRHCPECRKAHN-XEMDLRDOSA-N 431.298 -1.708 50 20 IAGD O=C(/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)NC1CC1 1797612722 XEHWUYCLEDKWPJ-YUBWNGLZSA-N 427.266 -1.596 50 20 IAGD Cc1cc(C(=O)NCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830731285 KHWDTRYXSRXDLC-KSSFIOAISA-N 444.872 -1.231 50 20 IAGD Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1834245849 ZIGAZGXGCVYFOJ-HXUWFJFHSA-N 428.254 -1.516 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835707803 QUMPJZZLQNLECP-CTNGQTDRSA-N 448.524 -1.089 50 20 IAGD CC1C[C@H](C(=O)NNC(=O)[C@@H]2COCCO2)[C@@H](C(=O)NNC(=O)[C@@H]2COCCO2)C1 775870217 BXOGMWHJIXSKNU-XUXIUFHCSA-N 428.442 -2.226 50 20 IAGD CCN1CCN(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C(=O)C1=O 915357485 OJTGSNUYVXBYOK-UHFFFAOYSA-N 439.494 -1.546 50 20 IAGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCNS(C)(=O)=O)nc2)CC1 916295067 ZWMVUYUOHLYQDN-UHFFFAOYSA-N 435.532 -1.807 50 20 IAGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1322683678 AWRGLDVCAQEQRK-ZIAGYGMSSA-N 431.515 -1.783 50 20 IAGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833303841 CLKZNANISJWJMY-FZKQIMNGSA-N 426.857 -1.150 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840183807 BHVCSKLLGMXWMH-LJQANCHMSA-N 439.517 -2.344 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2)c1cccc(B(O)O)c1 1795739979 YTCCKLRQQDUSFW-UPHUGPLXSA-N 449.276 -1.145 50 20 IAGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934323 VLUOAUJJIOBJGY-IIBYNOLFSA-N 430.266 -1.525 50 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IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838804854 BFONRWQASUATNF-IBGZPJMESA-N 439.469 -1.390 50 20 IAGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840186047 XAIBGFQZCQICCA-LJQANCHMSA-N 427.502 -1.658 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786573223 WXLGENCPOUTTJZ-DDWPSWQVSA-N 430.465 -1.443 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572404 HKUBFDYWRJDMFV-UHFFFAOYSA-N 445.586 -1.024 50 20 IAGD O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929183 FMJVRAGYODQUMF-NRFANRHFSA-N 445.281 -1.941 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1837459136 JQTYGWUCHSLIBK-MNVSYLFESA-N 433.465 -1.474 50 20 IAGD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182307 GMZPOSDEYNDNMC-HXUWFJFHSA-N 441.529 -1.270 50 20 IAGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)COC 764303895 RMEZPFGWFGFSPU-UHFFFAOYSA-N 444.466 -1.162 50 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CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797586032 JGALJGSRORQQHW-YXPYIKCWSA-N 435.242 -2.366 50 20 IAGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722916 JLYFTEICKXDQOY-PXAZEXFGSA-N 440.844 -1.913 50 20 IAGD N=C1NCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835637815 ODMHCQLEFZTBJD-IUODEOHRSA-N 436.282 -1.027 50 20 IAGD CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835939069 DIMPPSCMQQKRGT-XMSQKQJNSA-N 445.325 -1.222 50 20 IAGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839714308 KXGATKLFESBQFW-OAQYLSRUSA-N 442.281 -1.358 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839877455 VQXCBHPNBVTHHE-VLIAUNLRSA-N 433.270 -2.039 50 20 IAGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cnnn1 1840479987 KRRFQPKSYCLGEX-RDTXWAMCSA-N 438.489 -1.937 50 20 IAGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738800 GRKMKQFINFNUMF-IARIHHJXSA-N 435.242 -2.366 50 20 IAGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1834819080 HQUBONHZBSUBMG-INIZCTEOSA-N 447.286 -1.220 50 20 IAGD O=C(Cn1cncn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836134252 LIYHLKPBWUFNPH-IBGZPJMESA-N 429.242 -2.272 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836170176 SLRSMOKZEWPPNY-HXUWFJFHSA-N 443.464 -1.348 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H](O)Cc2ccccc2Cl)n(C)c1=O 773388233 CJQBMEXHHVVWRR-GFCCVEGCSA-N 434.840 -1.162 50 20 IAGD O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)NC1CC1 1786984272 XKFJFDZSDHJWIN-CAGIQCCXSA-N 441.293 -1.206 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1797750561 KXZWMXHGBGYYPR-IVWMJMPLSA-N 430.465 -1.489 50 20 IAGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800281532 UMRPCYKRYPLOEF-NDPMZMCLSA-N 428.829 -1.054 50 20 IAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 761070714 GEBRZSZKBNWKHR-RYUDHWBXSA-N 449.530 -1.023 50 20 IAGD C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(F)(F)F 1795737819 WIOBIYAGRYUHBA-IFOZYUSPSA-N 430.188 -1.117 50 20 IAGD COC(=O)c1ccccc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 775780310 HWPKSQMZZYFZNW-UHFFFAOYSA-N 428.405 -1.390 50 20 IAGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778954343 QLECHXQEJCGODO-JLTOFOAXSA-N 432.286 -1.483 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1779030631 DZPNSKCUJBVBBC-OAQYLSRUSA-N 440.460 -1.010 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccnnc1O 1789114023 OYIPWKPJHJCVJA-JQFCIGGWSA-N 426.238 -1.231 50 20 IAGD NC[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810303932 XMGHHZASGCIKDN-XOKHGSTOSA-N 426.481 -1.314 50 20 IAGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929581 XCFNGICALRDOLC-HXUWFJFHSA-N 444.253 -1.371 50 20 IAGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1)n1ccnn1 1839707613 ZKOGCQFPHJCWKT-MGPUTAFESA-N 443.269 -1.711 50 20 IAGD Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640563 UIXNSJJGFREETG-UHFFFAOYSA-N 436.860 -1.053 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782957881 ZODSDMSARVOVMV-LPHOPBHVSA-N 436.295 -1.613 50 20 IAGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785157264 KHGSJYREGWLYPF-TUUVXOQKSA-N 444.253 -2.442 50 20 IAGD O=C1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)=NN1 1807362870 WWXSSJRCKHRJMP-DNVCBOLYSA-N 435.249 -1.043 50 20 IAGD O=C(CC1(O)CCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840592831 IFFHXTDNJBYYPU-NRFANRHFSA-N 432.282 -1.259 50 20 IAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 729274766 CKQIGSMJNLUFLP-WCQYABFASA-N 448.523 -1.157 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 764226675 KJWAYDZLHBCPNR-VXGBXAGGSA-N 427.483 -1.065 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CNC(=O)Nc2ccccc2)n(C)c1=O 765730824 OLGDQYDYXKBWNW-UHFFFAOYSA-N 428.409 -1.597 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOc2ccc(C=O)cc2)n(C)c1=O 766636468 NJKMIYSVOLCCOM-UHFFFAOYSA-N 428.405 -1.137 50 20 IAGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792853304 CZHKCYJUVSGGRV-DGCLKSJQSA-N 432.524 -1.055 50 20 IAGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1788611269 RSSJRESADNMMGD-XEGUGMAKSA-N 429.437 -1.846 50 20 IAGD O=C(Cn1ccnn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836207337 XDUQQEYOQIASFL-LJQANCHMSA-N 429.242 -2.272 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837460054 ZYSFBNDXEGYUQW-HXUWFJFHSA-N 441.448 -1.141 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834025470 XGSFZSOAURFLBS-FQEVSTJZSA-N 426.238 -1.460 50 20 IAGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 770125625 VEIMRKPGSGBUCR-UHFFFAOYSA-N 436.512 -1.346 50 20 IAGD O=C(CN(CCO)CCO)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783255959 KRAAOBDSRFKMFQ-FQEVSTJZSA-N 435.286 -2.904 50 20 IAGD CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800010 OPKJVKSSQVSQBZ-UHFFFAOYSA-N 430.314 -1.312 50 20 IAGD CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835254908 MXWWBPXKSKJIEP-SFHVURJKSA-N 440.283 -2.519 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1837460029 ZNACJYHPXDOYFL-SFHVURJKSA-N 431.409 -1.548 50 20 IAGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCN1 1840229909 RYIZTATXUXWNGA-IERDGZPVSA-N 445.281 -2.037 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)n(C)c1=O 765724556 LZIZDTATHJNNLO-UHFFFAOYSA-N 431.365 -1.432 50 20 IAGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 767269754 DKTKPDPLJAUTCN-UHFFFAOYSA-N 442.432 -1.325 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2)c1cccc(B(O)O)c1 1795740888 LVWWCJRNZXPUDC-YVWYUNDQSA-N 425.250 -1.087 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722903 IXMIPQXBQBLJJD-YJBOKZPZSA-N 426.662 -1.964 50 20 IAGD O=C(Cn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836207336 XDUQQEYOQIASFL-IBGZPJMESA-N 429.242 -2.272 50 20 IAGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836404424 QOESXVYYAFTXSQ-BZNIZROVSA-N 441.832 -2.518 50 20 IAGD CS(=O)(=O)CCNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764519301 PJYLKBZUNFHEBA-UHFFFAOYSA-N 427.552 -1.016 50 20 IAGD COCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 774620958 ONOMUIKUEYAHLV-UHFFFAOYSA-N 436.450 -1.410 50 20 IAGD CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783676215 BAKHXRVHORIBTO-RCBQFDQVSA-N 447.496 -1.450 50 20 IAGD CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750868 TXLCERROARFMRR-DPYKFYPSSA-N 432.481 -1.245 50 20 IAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1801013259 YUOIAZWMELEHOA-UMPJEAMMSA-N 430.527 -1.474 50 20 IAGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1)n1cncn1 1840417528 WIRMOTDPVOEBCG-MGPUTAFESA-N 443.269 -1.711 50 20 IAGD O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)N1 1841353638 HTQPMTJABOBTQQ-XQQFMLRXSA-N 444.941 -1.030 50 20 IAGD CCc1c(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cnc2c1c(=O)n(C)c(=O)n2C 816879324 MOJIIODOZTXXIF-JTQLQIEISA-N 426.437 -1.190 50 20 IAGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)nn1C 1834118650 WQLNDWNCUXYGQM-NRFANRHFSA-N 442.281 -1.208 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834306136 PQYMRTPROSTDDR-HXUWFJFHSA-N 441.448 -1.141 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835933906 GLXFNOFPYMJIQK-CRAIPNDOSA-N 426.662 -1.964 50 20 IAGD CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935237 JWLAHJUPIOIEQP-NRFANRHFSA-N 442.281 -1.033 50 20 IAGD Cc1cnn(Cc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)no2)c1 756002018 DPPNDVXNODCAQT-UHFFFAOYSA-N 441.408 -1.564 50 20 IAGD CCS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765721767 IKZHVMPMHSTAQC-UHFFFAOYSA-N 448.461 -1.312 50 20 IAGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085808 PJSYJILZDUMZAY-YHQUGGNUSA-N 425.935 -1.106 50 20 IAGD O=C(NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362915 KQHSIVRGGQHSAJ-VQIMIIECSA-N 435.253 -1.232 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834591925 QGQRQQGAFMDVFQ-NRFANRHFSA-N 442.233 -1.297 50 20 IAGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)N1 1835305827 YWMPKEAXFUQBGJ-UZLBHIALSA-N 431.254 -2.285 50 20 IAGD Nc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cs1 1835928336 KYTAOPLPCOZTEP-LJQANCHMSA-N 446.294 -1.211 50 20 IAGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840151613 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432.433 -1.034 50 20 IAGD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980905 DESZXOMSLABKMB-XIVBQZFQSA-N 441.297 -1.113 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nc2ncccn2n1 1796956982 CJXQPLWNKIWODL-MIFYACCESA-N 436.237 -1.679 50 20 IAGD O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)N1 1832694557 STFYAABTCKTSGA-MEDUHNTESA-N 447.286 -1.174 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833531267 RAMQUZREEBAFLD-GOSISDBHSA-N 447.477 -1.080 50 20 IAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835429892 KOYRVMSCABIUMQ-YRXLECQKSA-N 448.480 -1.335 50 20 IAGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934348 XCVKMUKHCCGZCM-OAQYLSRUSA-N 442.281 -1.208 50 20 IAGD O=C(CCc1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935365 PJAVRILXLQJJNX-NRFANRHFSA-N 442.281 -1.208 50 20 IAGD O=C(Cn1nccn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939219 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O=C(COc1cccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791602284 WBOPQYYMFCVRTF-SZMVWBNQSA-N 440.265 -1.171 50 20 IAGD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832487098 OLZUVBFKIWCKSH-ZBFHGGJFSA-N 441.909 -1.292 50 20 IAGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnn1 1839711147 OMJRAYRICQCYMS-HNAYVOBHSA-N 437.501 -1.332 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980946 GPMHKQSHULGCTI-WDSOQIARSA-N 425.250 -1.093 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)c1cccc(B(O)O)c1 1795739025 QOOIDDQMODLSES-JJLQDPRZSA-N 428.210 -1.915 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722900 IXMIPQXBQBLJJD-CRAIPNDOSA-N 426.662 -1.964 50 20 IAGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835749816 PUVPFSCIKALBDD-HWWQOWPSSA-N 435.319 -1.181 50 20 IAGD COCCN1C[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1=O 735118704 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CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779094579 HHRLZHTWNQUEBR-PKOBYXMFSA-N 427.502 -2.160 50 20 IAGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796585927 PNNAHIJJGZEUBU-HGKCTWBKSA-N 442.281 -1.274 50 20 IAGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835920757 GEGKJHXOQJBNMG-YVEFUNNKSA-N 440.844 -1.913 50 20 IAGD O=C(Cn1cccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835928306 JPYSAGDFYIPUNY-HXUWFJFHSA-N 428.254 -1.667 50 20 IAGD CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939318 MBRJEIITTKFURL-IIBYNOLFSA-N 433.314 -1.223 50 20 IAGD O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795772531 GZAYWKWODVTWLF-CWPLJXCYSA-N 425.250 -1.569 50 20 IAGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832793247 HKJPVAWPZDVTMG-XJKSGUPXSA-N 431.833 -1.153 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834024995 DYFARLKWGNAEQD-HXUWFJFHSA-N 426.238 -1.460 50 20 IAGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n1 1836059222 FLJSWVRYNDZOGH-NRFANRHFSA-N 442.281 -1.587 50 20 IAGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837523513 WOTMOYKZHYKYDY-YXJHDRRASA-N 435.905 -1.653 50 20 IAGD O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 795446067 DYMPSBUAAAOSNK-UHFFFAOYSA-N 448.436 -1.641 50 20 IAGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)N2CCN(C)CC2)c1 807380799 QQWGGKGICOXNJJ-UHFFFAOYSA-N 428.515 -1.133 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1783936800 UCBJBMKQEYWHPK-FQEVSTJZSA-N 432.481 -1.003 50 20 IAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888238 ALHLPDOCWXBMCD-ZSBFGKGUSA-N 432.481 -1.017 50 20 IAGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839714307 KXGATKLFESBQFW-NRFANRHFSA-N 442.281 -1.358 50 20 IAGD O=C(NNC(=O)C(F)(F)C(F)(F)C(=O)NNC(=O)N1CCOCC1)N1CCOCC1 742596107 NWQWYRQARXSVGA-UHFFFAOYSA-N 444.342 -1.597 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782957590 SQLZZENRGXCXCW-QFBILLFUSA-N 436.295 -1.613 50 20 IAGD O=C(CN(CCO)CCO)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1783259793 ACBGECYYOZSWPK-DZGCQCFKSA-N 426.283 -1.207 50 20 IAGD O=C1CCCCN1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783754799 PEDBCCUVQIWXMK-NRFANRHFSA-N 429.282 -1.178 50 20 IAGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)n1cncn1 1786986477 DYXSTJMLAGBVJO-IKICRFKJSA-N 427.270 -1.188 50 20 IAGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982324 AASQZZVSCQFOOM-XHXGSEDSSA-N 427.889 -1.354 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798634031 FIPJWQQXQXZMPZ-CULMDFNYSA-N 427.421 -1.715 50 20 IAGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1829887564 VZESUSNBXZNRGK-QFIPXVFZSA-N 445.325 -1.222 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csnn1)CCO2 1831754577 DSXDIAMUOQWCCM-KRWDZBQOSA-N 426.499 -1.019 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1835261211 JEEKZIITLKUIKE-QGZVFWFLSA-N 434.515 -2.140 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1835925918 ANWRAGUKKOFIRT-WIYYLYMNSA-N 444.249 -1.237 50 20 IAGD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837455667 CWKGBNDMRAGGOT-RBZFPXEDSA-N 448.480 -1.733 50 20 IAGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)n[nH]1 1837585985 WULYBDDACFEBPB-OAQYLSRUSA-N 442.281 -1.289 50 20 IAGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c1 772885030 SOICTGLNBVJSLR-UHFFFAOYSA-N 428.858 -1.184 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779091210 VVSDMCGISGVOBQ-UYAOXDASSA-N 433.270 -2.540 50 20 IAGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)n1cnnn1 1791685772 JVDVIKHNCMNVHM-CSFVBSKPSA-N 428.258 -1.793 50 20 IAGD O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800580097 JYPDHYJMDCUYRZ-ZMJPVWNMSA-N 426.283 -1.447 50 20 IAGD C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)N1CCN(C)CC1 1830732851 BSVKRPXNYQNNKI-TXPKVOOTSA-N 432.949 -1.322 50 20 IAGD N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835509205 CKSGTKYRVDDXCF-GOSISDBHSA-N 436.299 -1.937 50 20 IAGD CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 739058727 HFELDPPDLVDBJV-CQSZACIVSA-N 425.467 -1.118 50 20 IAGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028183 GLUYNJXBAXISIN-FQEVSTJZSA-N 432.481 -1.003 50 20 IAGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1783873337 NXZFSWJOYSAEOG-YOEHRIQHSA-N 437.946 -1.200 50 20 IAGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(=O)O 1786980016 ZAFSUJZCMDYMMC-HJWJTTGWSA-N 433.270 -1.978 50 20 IAGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807693286 VALNQFAUJOWBHS-BTHPGYMESA-N 438.293 -1.196 50 20 IAGD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cnn1C 1835929141 BPXMBULVWVYBIY-NRFANRHFSA-N 442.281 -1.208 50 20 IAGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)n(C)n1 1835929499 RPIWKJXWIMXSEE-OAQYLSRUSA-N 442.281 -1.208 50 20 IAGD O=C1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CN1 1786981888 FFHPFNRZNJPSAG-FZCLSBEQSA-N 429.282 -1.514 50 20 IAGD N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984352 HVHMVQMWEUCAEE-XIRDDKMYSA-N 429.286 -2.200 50 20 IAGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794012094 YWYMRNZQXMQXRV-ZSBIGDGJSA-N 429.437 -1.511 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798439159 JWWSLHSHPICHTC-MUJYYYPQSA-N 437.265 -1.070 50 20 IAGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933783 DHLXPFGIPORXCO-KNQAVFIVSA-N 445.325 -1.079 50 20 IAGD 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C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835938548 YASCYVNOSDRONN-QVKFZJNVSA-N 445.281 -1.873 50 20 IAGD O=C(COCCO)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920120 LXKSTTXQMOGKJL-UHFFFAOYSA-N 434.298 -1.013 50 20 IAGD Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)c(=O)n2C 744564219 MECXEMGZJVGSHA-UHFFFAOYSA-N 439.388 -1.690 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)c1cccc(B(O)O)c1 1795741273 RKKYWIMQVLHEHI-HGKCTWBKSA-N 435.286 -3.144 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835308957 TTXSLYKCAWWCLL-FOIQADDNSA-N 446.464 -1.966 50 20 IAGD Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929375 MXGIHGCPCUYQAP-FQEVSTJZSA-N 428.254 -1.516 50 20 IAGD Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835936941 KYFIMGGZKYQEPQ-LJQANCHMSA-N 446.294 -1.090 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1844263732 ODLNWFFKAZVIMY-UHFFFAOYSA-N 438.448 -1.244 50 20 IAGD Cc1nn(C)c2ncc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 755846458 FUPFJEYMHFGYDE-UHFFFAOYSA-N 440.424 -1.123 50 20 IAGD CN(C)c1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)o1 1794602503 ZKXQXRDDWNIZCY-XOIINTDNSA-N 428.254 -1.063 50 20 IAGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797942139 WAFVLCQQEWBLSF-KOFHJDLBSA-N 430.465 -1.421 50 20 IAGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800186867 RGMHMALOWXQZET-FVCICTRLSA-N 428.559 -1.567 50 20 IAGD O=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)=NN1 1815344054 DMUMOKOUYSZJCL-LLVKDONJSA-N 427.251 -1.075 50 20 IAGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)n1 1833088489 IIVVSGNUWWEKFE-OAQYLSRUSA-N 442.281 -1.358 50 20 IAGD N=C(N)SCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935827 UNBNOMFKNTUFNZ-SFHVURJKSA-N 436.299 -1.937 50 20 IAGD O=C(Cn1cncn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1836134256 LIYHLKPBWUFNPH-LJQANCHMSA-N 429.242 -2.272 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)n(C)c1=O 744489532 LZXWYMQRNRSDEC-UHFFFAOYSA-N 439.388 -1.690 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCN2c2nccs2)n(C)c1=O 766638246 ZHTZYWWYFUENRC-JTQLQIEISA-N 432.466 -1.293 50 20 IAGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)c1 782703457 ZWBQVKARBIJVDA-UHFFFAOYSA-N 427.483 -1.318 50 20 IAGD CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835911783 JPZOVOAJSNCRFP-OXQOHEQNSA-N 434.497 -1.247 50 20 IAGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1ccnn1 1835940210 ZCKNSJTYCUYNKJ-QRWLVFNGSA-N 443.269 -1.711 50 20 IAGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)no1 1837545565 KWQNMTLJTWBSCS-KSSFIOAISA-N 444.872 -1.231 50 20 IAGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c3ccccc32)N1 806980206 LEXMOCGOHMHEBQ-WWGRRREGSA-N 432.433 -1.415 50 20 IAGD O=C(O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982952 DFYURVGVXFUTQH-BPUTZDHNSA-N 436.295 -1.223 50 20 IAGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)on1 1832566594 GIZSBHJOIDNIEA-OAQYLSRUSA-N 443.265 -1.024 50 20 IAGD Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1833227384 DAYQBUVAJIKGFA-LJQANCHMSA-N 429.242 -2.121 50 20 IAGD O=C(CN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835375489 YABRMDYAAJXBQM-JOCHJYFZSA-N 445.325 -1.078 50 20 IAGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835593687 ZQMCILVDOIODCZ-XERREHJYSA-N 433.314 -1.190 50 20 IAGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460662 IODKQIXZCOZCGM-ZUOKHONESA-N 448.480 -1.720 50 20 IAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(O)CCOCC3)CC2)cc1 773391528 MSRKTRMDCHBNTE-UHFFFAOYSA-N 440.522 -1.010 50 20 IAGD O=C1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CCN1 1786986695 ZPIQHYVRZSXVCU-FZCLSBEQSA-N 429.282 -1.514 50 20 IAGD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737686 JVJQYLOAPBQKJY-JJAZEVLHSA-N 438.311 -1.750 50 20 IAGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740330 UKYYOBAMPQFLGW-CYGHRXIMSA-N 433.270 -2.279 50 20 IAGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(=O)n2[nH]nnc2n1 1796191012 OEOBUMUVPAGMQT-BTTYYORXSA-N 437.225 -1.942 50 20 IAGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807372860 JOIFJRMKPHHYDR-LEAZDLGRSA-N 438.293 -1.196 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731208 IWQWXYBALLFLJT-RDTXWAMCSA-N 441.872 -1.645 50 20 IAGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831191903 UZCHTIRKSZYAAR-FOIQADDNSA-N 441.529 -1.270 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1835938036 GQYCFGJNXZVTGV-HXUWFJFHSA-N 442.237 -1.754 50 20 IAGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccn1 1835939837 KDVFWWMZFULQJZ-IIBYNOLFSA-N 442.281 -1.106 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CN2CCc3ccccc3C2=O)n(C)c1=O 788761138 IUOPSZCHTJMCBE-UHFFFAOYSA-N 439.432 -1.720 50 20 IAGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779316078 ILGFTILLPYKDTH-PXNSSMCTSA-N 433.270 -2.039 50 20 IAGD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831604059 XPHYIRLWOBYMLB-VLIAUNLRSA-N 433.270 -2.052 50 20 IAGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1ccnc1 1835934105 OAVCCAUPYACUJS-IIBYNOLFSA-N 442.281 -1.106 50 20 IAGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)C(=O)N1CCCC1 733040593 HBDLJCJKNMNWKE-UHFFFAOYSA-N 427.483 -1.248 50 20 IAGD O=C(NNC(=O)[C@@H]1COCCO1)[C@H]1CCC[C@@H](C(=O)NNC(=O)[C@@H]2COCCO2)C1 744642300 BNVFGZLRGKHIKQ-CRWXNKLISA-N 428.442 -2.082 50 20 IAGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765723722 DCZRVDVGNJUQTC-VIFPVBQESA-N 433.450 -1.539 50 20 IAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCN(C)C3=O)CC2)cc1 773390861 LUESMXFSXVGTOF-INIZCTEOSA-N 437.522 -1.073 50 20 IAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCN(C)C3=O)CC2)cc1 773390867 LUESMXFSXVGTOF-MRXNPFEDSA-N 437.522 -1.073 50 20 IAGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1777982990 CNWMYBLABJMMFL-CSODHUTKSA-N 446.313 -1.059 50 20 IAGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189825 FTIWJYJMDNMUEE-VDNDLQMASA-N 437.327 -1.054 50 20 IAGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN)C(=O)C(=O)O 1797753704 DMNKSEORNFYCFG-QHBPRCKVSA-N 448.436 -2.569 50 20 IAGD O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)=NN1 1810218964 JMCWMPVHGHNDPD-HNAYVOBHSA-N 435.249 -1.043 50 20 IAGD O=C(CNC(=O)C(F)(F)F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738787 SNXOSQNWZNYIOU-YGRLFVJLSA-N 431.795 -1.279 50 20 IAGD Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1834246829 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CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829960475 UAQCHRBCIMKMMG-MGPUTAFESA-N 439.513 -1.658 50 20 IAGD C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831392744 GZEGHIPOUJTOOV-HRAATJIYSA-N 430.266 -1.525 50 20 IAGD C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1831396973 UHDRTIQECZELJO-YCRPNKLZSA-N 445.476 -1.207 50 20 IAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835748906 ASSGIXPEGQSHDJ-IFXJQAMLSA-N 442.517 -2.591 50 20 IAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1835930602 PBBCZAFCVFDOIJ-FQEVSTJZSA-N 426.238 -1.460 50 20 IAGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933785 DHLXPFGIPORXCO-UGKGYDQZSA-N 445.325 -1.079 50 20 IAGD CN(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)C(=O)C(=O)O 1840189805 MNWLSERDDYFXPF-HNNXBMFYSA-N 426.253 -1.211 50 20 IAGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cncn1 1840421374 QEQYTVCDFMNAOD-DNVCBOLYSA-N 437.501 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O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1835925916 ANWRAGUKKOFIRT-NQIIRXRSSA-N 444.249 -1.237 50 20 IAGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935493 HRPYJDREHFQRFP-FQEVSTJZSA-N 444.253 -1.371 50 20 IAGD CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935508 ICHYKKAMMCVGCH-SFHVURJKSA-N 440.283 -2.519 50 20 IAGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2)CCN1 751200977 DFFMRUCYMNPCMB-UHFFFAOYSA-N 449.445 -1.409 50 20 IAGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766645358 SVRGTCKGEAQXKP-JTQLQIEISA-N 439.498 -1.771 50 20 IAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21)[C@@H](O)CCl 1784090734 MIEXNUMXSCXIBQ-AJNGGQMLSA-N 437.946 -1.009 50 20 IAGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1)n1cncn1 1784472636 FEQOGIWPVDLFIX-DJJJIMSYSA-N 428.453 -1.019 50 20 IAGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CN1 1829951592 XXEWJMSYAZWHFV-KKSFZXQISA-N 445.281 -2.037 50 20 IAGD CCn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c2ccccc2c1=O 756080155 LHUSFPLGVNNUAJ-UHFFFAOYSA-N 433.450 -1.111 50 20 IAGD COCCn1nc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 757871278 ISLLXOZVJLFPNT-UHFFFAOYSA-N 447.456 -1.254 50 20 IAGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778781273 DQUONECKFVNMRU-BEFAXECRSA-N 435.242 -2.126 50 20 IAGD C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737044 XBHUBIKKBXFBOX-BFUOYJEKSA-N 427.266 -1.572 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2)c1cccc(B(O)O)c1 1795737058 ZGJPMQXVMPEISP-HGKCTWBKSA-N 433.339 -1.382 50 20 IAGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829865425 JKNPOSBBJYABOS-OXQOHEQNSA-N 441.529 -1.270 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833526611 UXFHRQRMRSUHIM-SFHVURJKSA-N 432.267 -1.398 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838647639 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O=C(c1ccc[n+]([O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927129 HFKJKMZGNAIHND-NRFANRHFSA-N 441.249 -1.616 50 20 IAGD Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)no1 1837545564 KWQNMTLJTWBSCS-KDOFPFPSSA-N 444.872 -1.231 50 20 IAGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839886196 NKGDMHFJNLLPOE-LJQANCHMSA-N 427.502 -1.658 50 20 IAGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1840030479 NGWNIMQGLTVDCV-MEDUHNTESA-N 447.286 -1.222 50 20 IAGD COc1ccc(OCC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 749352816 IWEGBTKSXRVGTG-UHFFFAOYSA-N 429.499 -1.018 50 20 IAGD CC(C)C[C@H](CCC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)NNC(=O)[C@H]1COCCO1 759226837 KTQDSRBCOKSHHQ-SOUVJXGZSA-N 444.485 -1.446 50 20 IAGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 771996420 URSZEYLLDVLNQT-LLVKDONJSA-N 426.451 -1.090 50 20 IAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920298426 MBINONPLMBCOHJ-LLVKDONJSA-N 434.496 -1.594 50 20 IAGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1777982986 CNWMYBLABJMMFL-CBGDNZLLSA-N 446.313 -1.059 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1779028260 AOJXFEJUGMXYGL-XCLFUZPHSA-N 430.465 -1.345 50 20 IAGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1788610831 XFXSGCONWFWERE-DDWPSWQVSA-N 447.496 -2.129 50 20 IAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2)c1ccc(B(O)O)cc1 1795734473 PODNDZOPNNRMBZ-HIRMHNASSA-N 433.270 -2.780 50 20 IAGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1832290005 PNIYMAAQDCJRFQ-NRFANRHFSA-N 447.297 -1.695 50 20 IAGD CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835927176 KAAPXMSBLIRCFU-YCRPNKLZSA-N 447.297 -1.649 50 20 IAGD CCc1ccccc1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764377212 BBOZCTPBHLBENJ-UHFFFAOYSA-N 427.421 -1.218 50 20 IAGD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830731017 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CN1CCN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)CC1 744401995 CPGHHPOPRHYQRP-UHFFFAOYSA-N 449.537 -1.571 50 20 IAGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H](NC(C)=O)C(N)=O)c1 746094070 ZDAWSIDJIDGXTD-AWEZNQCLSA-N 427.483 -1.142 50 20 IAGD COc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 765125681 PDQUAWBEULEOFS-UHFFFAOYSA-N 436.450 -1.240 50 20 IAGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 780388223 XVYILTGLNAVATQ-VIFPVBQESA-N 428.514 -1.816 50 20 IAGD O=C1CN(CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1 781405499 IEKANJQOCOUCSZ-UHFFFAOYSA-N 438.510 -1.153 50 20 IAGD O=C(CN(CCO)CCO)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783255960 KRAAOBDSRFKMFQ-HXUWFJFHSA-N 435.286 -2.904 50 20 IAGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786800803 ZCASRRRHAPJWPI-HJWJTTGWSA-N 432.286 -2.448 50 20 IAGD CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737828 XUMCMJLCXVIKDC-CWPLJXCYSA-N 431.298 -1.124 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801299578 BNXUPKHYAMUZBP-QHBPRCKVSA-N 446.493 -1.201 50 20 IAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834024994 DYFARLKWGNAEQD-FQEVSTJZSA-N 426.238 -1.460 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837456417 HNWSHBKZFBVIFY-FQEVSTJZSA-N 441.448 -1.141 50 20 IAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1837457482 DRTMEDLFCLCAHB-GOSISDBHSA-N 445.440 -2.558 50 20 IAGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1837710446 ZCENPTVYAYKEHN-SCLBCKFNSA-N 442.545 -1.108 50 20 IAGD Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n1 1840184321 ZXRHZKRLNMZORF-IBGZPJMESA-N 438.485 -1.250 50 20 IAGD C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)O 1840837968 LSPGDYHCJYBWEU-VPLQDYMCSA-N 447.448 -1.214 50 20 IAGD C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2O1 765122339 DZINPFUZMWLIIQ-SNVBAGLBSA-N 448.461 -1.233 50 20 IAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCNC(=O)c2cccnc2)n(C)c1=O 772229725 ZZJIROIMYCDNDT-UHFFFAOYSA-N 442.436 -1.814 50 20 IAGD O=C1CN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C(=O)N1 1795732973 TZTVHYBVWQBVEI-FVCICTRLSA-N 430.226 -2.879 50 20 IAGD NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835741740 OPKHDIIUIQYLPM-BLLLJJGKSA-N 435.319 -1.179 50 20 IAGD Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n1 1835935582 LQIMXJXCRYSKDF-FQEVSTJZSA-N 444.253 -1.629 50 20 IAGD