smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 441992825 CRLQFRXQABZVDN-GFCCVEGCSA-N 430.450 -1.508 0 20 IAAD CCCS(=O)(=O)N1CCC(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 443516934 OFNSOSSKLUVLFU-UHFFFAOYSA-N 432.590 -1.398 0 20 IAAD CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 468457893 GOATVMGHOZEBFG-UHFFFAOYSA-N 449.512 -0.714 0 20 IAAD O=C(CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cc(-n2cnnn2)ccc1F 472572558 BCEMIESSYRRMSI-HOTGVXAUSA-N 439.473 -1.173 0 20 IAAD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)cc1 486829151 XSNJTARJGTUZMC-UHFFFAOYSA-N 428.467 -1.028 0 20 IAAD CC(C)[C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CCCS1(=O)=O 502460514 REOAVFAFPINJID-OAHLLOKOSA-N 430.527 -1.424 0 20 IAAD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C[C@@H](C)O1 512790832 SRVPWVCPGCMFBS-HUUCEWRRSA-N 438.572 -1.785 0 20 IAAD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 534902558 YOKUMOCFOMVNAG-LLVKDONJSA-N 446.507 -1.212 0 20 IAAD Cc1nccc(N2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)n1 545397962 QNIUFTCVFUJVKC-UHFFFAOYSA-N 431.541 -1.090 0 20 IAAD CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 552622734 IVYMRNWBXWNZMH-SJKOYZFVSA-N 428.515 -1.358 0 20 IAAD Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c3ncccn3)CC1)CC2 552949567 KMLFHIIUSMESPC-OAHLLOKOSA-N 441.496 -1.337 0 20 IAAD Cc1nc(C)c(CCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)s1 553694101 JLWPWUFOYZNGEK-UHFFFAOYSA-N 435.510 -1.093 0 20 IAAD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 591428536 FYFSXDSQBOAOGK-HNNXBMFYSA-N 425.457 -1.368 0 20 IAAD Cn1c(=O)c2c(ncn2CC(=O)NCC2(NS(C)(=O)=O)CCCCC2)n(C)c1=O 626559199 NUUKPVQUBSFDLW-UHFFFAOYSA-N 426.499 -1.198 0 20 IAAD Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 670470754 QULVVVUBPZIQIE-AWEZNQCLSA-N 425.511 -1.404 0 20 IAAD CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 685337612 FJTATEUTFGYWEZ-HOTGVXAUSA-N 434.559 -1.279 0 20 IAAD CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 790309867 NPWCRJVTSZSCKS-UHFFFAOYSA-N 447.558 -1.241 0 20 IAAD CCOC(=O)C(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)cn1C 804992323 AXTFPCRYPFEQOG-GFCCVEGCSA-N 428.467 -1.214 0 20 IAAD COC(=O)C(C)(C)CS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 808283543 MSEIVPINGYAEGT-GFCCVEGCSA-N 446.569 -1.350 0 20 IAAD COC(=O)C1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 1116449434 JDLKBFXQDDDOBC-UHFFFAOYSA-N 425.463 -1.053 0 20 IAAD Cc1occc1C(=O)NCC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1328770657 KAMRPSPLZHVIPD-AWEZNQCLSA-N 426.495 -1.235 0 20 IAAD CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CC1 1554306310 VGIXHLVNKPHSKB-UHFFFAOYSA-N 448.571 -1.037 0 20 IAAD CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1554501085 KASVGUXIYPWBRO-UHFFFAOYSA-N 429.547 -1.168 0 20 IAAD CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1620177947 SEZJXHXSCBLAJY-GFCCVEGCSA-N 436.560 -1.151 0 20 IAAD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(O)C1)C2)c1cc(=O)n2[nH]nnc2n1 1777820668 NVJXNVBROARYSZ-RZDHEIJLSA-N 431.453 -1.289 0 20 IAAD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)[nH]1)C2)c1cc(=O)n2[nH]nnc2n1 1777822205 YSLZJHLTYFJLAE-KZULUSFZSA-N 443.424 -1.317 0 20 IAAD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1779034722 GHCMQROITNHGII-KRWDZBQOSA-N 426.499 -2.148 0 20 IAAD O=C(CCc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779094678 DVIUZOSZOILCBD-AZUAARDMSA-N 435.481 -1.405 0 20 IAAD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1779322910 YKFSBZHVMDUQMR-KYNCSHIPSA-N 425.530 -1.069 0 20 IAAD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(=O)n5[nH]nnc5n4)CCO3)C2)n(C)n1 1779622046 JAQDVSMHYMLHRB-IBGZPJMESA-N 441.452 -1.134 0 20 IAAD N=C1NCCN1CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062171 YWGSPKJFRKEGBW-HXUWFJFHSA-N 440.464 -1.627 0 20 IAAD Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C1)CCC2 1782435121 YGOQYZDRHIKDDR-FQEVSTJZSA-N 430.465 -1.096 0 20 IAAD NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782567155 AUTNPSMXQWMRQQ-ORAYPTAESA-N 433.444 -1.095 0 20 IAAD C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783256647 CXHFPZDAXVRTSK-UTKZUKDTSA-N 435.525 -1.002 0 20 IAAD CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1 1783865342 WAVYGROJZBFOGC-WHOFXGATSA-N 427.479 -1.470 0 20 IAAD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1784453466 VFCYTVAGKANZEL-ZQDZILKHSA-N 436.552 -1.022 0 20 IAAD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784745875 SMGZVKGQOIVFFS-CRAIPNDOSA-N 448.494 -1.254 0 20 IAAD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21)C(F)(F)F 1784874188 AURJNCMSNGQIFH-CGEFAEBTSA-N 439.431 -1.070 0 20 IAAD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1)C(=O)C(=O)O 1785519528 MTVOFZPYBDLUHB-UBHSHLNASA-N 447.448 -1.683 0 20 IAAD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)c1cnc(O)nc1O 1787431553 ADZGTOSJPLADIJ-QEJZJMRPSA-N 439.469 -2.232 0 20 IAAD O=C1CN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(=O)Nc4cccnc4)[C@H]3C2)C(=O)N1 1788713118 KERXJLNALNSVQE-QEJZJMRPSA-N 444.448 -1.448 0 20 IAAD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1788774073 PWHLNINSSZLRMK-QMHWVQJVSA-N 427.502 -2.290 0 20 IAAD NC(=O)c1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1790128071 YGGIIYMCDUUZIY-STECZYCISA-N 431.493 -1.028 0 20 IAAD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1790847379 WFCVYKDFODYNEP-DZKIICNBSA-N 428.449 -1.181 0 20 IAAD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1791312022 CYIFLVNCALBNSH-DCAQKATOSA-N 449.386 -1.804 0 20 IAAD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4ccnn4)[C@H]3C2)c(=O)nc1O 1791651590 CKXQQWKSBGFXSF-JYJNAYRXSA-N 445.480 -1.081 0 20 IAAD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCS(=O)(=O)CC2)C3)[n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c1cc(=O)n2[nH]cnc2n1 1796186724 WKWBLDITSXSCTB-ZSBIGDGJSA-N 425.405 -1.406 0 20 IAAD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)o1 1797744998 KHXZLTHGJGYOKN-DPIQGUFMSA-N 433.421 -1.007 0 20 IAAD O=C(O)c1cnncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1798102787 WFWLXFRZGJSCDP-YQYWCBKUSA-N 444.404 -1.047 0 20 IAAD COc1nc(C)ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800579968 UQVGCZJYQYSYJA-HGKCTWBKSA-N 436.509 -1.112 0 20 IAAD O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 1800580942 RRXVRAFCYHTDAE-ZSBFGKGUSA-N 429.905 -1.587 0 20 IAAD NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1802162314 CJJNVTHAAOAROE-JJLQDPRZSA-N 445.436 -1.450 0 20 IAAD CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825319191 JDPOIVSDKJZQMP-LBPRGKRZSA-N 442.542 -1.387 0 20 IAAD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1829848271 DQDXFCURRWMLKX-FOIQADDNSA-N 437.497 -1.034 0 20 IAAD O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)n4)C3)C2)CN1 1829949404 CTPQEOCKMUTSRG-CWTRNNRKSA-N 435.437 -1.516 0 20 IAAD CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829954639 ZROPWSUJPMZNTJ-IFXJQAMLSA-N 441.554 -1.547 0 20 IAAD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829956038 FQEIPXJNKPWSBG-VFNWGFHPSA-N 432.477 -1.019 0 20 IAAD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)N(C)C)CCO2 1830042120 DIWFLDFICHOZMK-UEKDZROGSA-N 426.470 -1.167 0 20 IAAD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1830045870 ANTACMQKAZWZLS-IFXJQAMLSA-N 425.486 -1.665 0 20 IAAD CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C(O)O)CCO3)C2)CC1 1830398637 CXQBXMVIIPUKFL-QGZVFWFLSA-N 435.499 -2.575 0 20 IAAD O=C(Cc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1830966213 LAZYZPCEESHQLS-QUCCMNQESA-N 435.481 -1.874 0 20 IAAD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831324983 VMBNAPRPULBANH-SJKOYZFVSA-N 446.482 -1.222 0 20 IAAD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831333280 FBZXFLJIWJWGQB-SFHVURJKSA-N 442.494 -1.010 0 20 IAAD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831454232 JXLPJQSBGRFPIY-CXAGYDPISA-N 429.499 -1.434 0 20 IAAD C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1831601681 FLMNICFWCLCRIN-VBKZILBWSA-N 436.465 -1.023 0 20 IAAD N=C(N)SCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832475934 GKECVADLDXFDEG-QGZVFWFLSA-N 442.498 -1.989 0 20 IAAD O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cccnc4)C3)C2)N1 1832693814 MQZBEIWBRHIVJS-QRWLVFNGSA-N 431.449 -1.321 0 20 IAAD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832694945 XCTBWWHOFYJNGH-SCLBCKFNSA-N 428.442 -2.296 0 20 IAAD CN(C)C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1832875641 HXHCCTVXRDBBFM-FQEVSTJZSA-N 435.481 -1.321 0 20 IAAD O=C(c1nccs1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1834435200 LKZJWDAOPBABLZ-FUHWJXTLSA-N 426.495 -1.136 0 20 IAAD O=C(Cn1ccncc1=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834609238 MZJGXKNRHSPKJA-FQEVSTJZSA-N 430.417 -1.033 0 20 IAAD N[C@@H](Cc1cscn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835305721 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1836061961 DMNIQZUKUVENDN-XLIONFOSSA-N 437.497 -1.430 0 20 IAAD COC(=O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836142060 LPDXREKSDBPENZ-INIZCTEOSA-N 428.471 -1.964 0 20 IAAD CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)CCO1 1836271208 JHRILPYJHVQTRD-QGZVFWFLSA-N 433.398 -1.138 0 20 IAAD CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1836483774 FUAMTGGTLCWZLW-SGTLLEGYSA-N 443.457 -2.567 0 20 IAAD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837213721 OKVGTUOYGRLTJG-SPYBWZPUSA-N 429.470 -1.066 0 20 IAAD O=C1NC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)O1 1837315699 IJHYYSGIQAROCM-BONVTDFDSA-N 439.343 -1.343 0 20 IAAD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1837462736 NMUUXEGJPPAEBN-KRWDZBQOSA-N 425.515 -1.631 0 20 IAAD O=C(c1ccc(O)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837520922 VFFQRFVQCLMJPS-QUCCMNQESA-N 436.465 -1.492 0 20 IAAD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 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COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)O1 444431665 DHSVPPXXGMFGAG-FWXGHANASA-N 442.465 -1.416 0 20 IAAD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471314440 MISNWLVFIGXQFH-VBNZEHGJSA-N 435.506 -1.017 0 20 IAAD Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)CC2)cn1C 485270600 GDDIWYRSTYVQCS-UHFFFAOYSA-N 441.558 -1.091 0 20 IAAD CC1CCN([C@@H](C)CNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 552686208 DFSQJTQMODUOSL-HNNXBMFYSA-N 435.529 -1.288 0 20 IAAD CCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 556006214 QWWGYQTZDABRDW-UHFFFAOYSA-N 433.465 -1.374 0 20 IAAD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 557261487 KGFGDNBPWQUCEQ-CVEARBPZSA-N 436.557 -1.499 0 20 IAAD O=C(NCCCN1CCOCC1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 565316830 GLIJVBCNPINODH-MRXNPFEDSA-N 432.543 -1.522 0 20 IAAD Cn1c(=O)ccn(CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1=O 617427892 PMZXBCNOJWUDFG-UHFFFAOYSA-N 432.462 -1.044 0 20 IAAD COCCS(=O)(=O)CC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 732095862 ZSXFJIIMULRMCB-OAHLLOKOSA-N 426.557 -1.214 0 20 IAAD C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1305116816 PWZFVMNACIVYKX-RYUDHWBXSA-N 434.544 -1.604 0 20 IAAD Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1317965098 HKKNBDFIPCDUBC-CYBMUJFWSA-N 432.524 -1.119 0 20 IAAD Cn1cc(I)c(=O)n(CC(=O)N[C@H]2CCS(=O)(=O)C2)c1=O 1319714512 BQOWLRIGOQBTSL-ZETCQYMHSA-N 427.220 -1.545 0 20 IAAD Cn1nnc(Br)c1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1323942436 PPAVCUUGVDBNBS-JTQLQIEISA-N 449.331 -1.361 0 20 IAAD C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NCCN1CCOCC1 1343360905 KHBLRSTXMLXTMP-KBPBESRZSA-N 444.510 -1.468 0 20 IAAD CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1554507531 MJYOIQXBZJXOEV-GFCCVEGCSA-N 438.532 -2.003 0 20 IAAD O=C(CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)NCCN1CCOCC1 1565584231 OVGXBQWUYIZMAB-SJLPKXTDSA-N 436.484 -1.105 0 20 IAAD O=C(CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1)N1CCCC1 1779087057 HTKIXTRDBCCUIJ-FPOVZHCZSA-N 438.525 -1.131 0 20 IAAD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779098055 BIYYNIWHHANVGN-HQRMLTQVSA-N 426.514 -1.228 0 20 IAAD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2)C(=O)C(=O)O 1781541483 LAPBNDCKIWGIEP-VLXJIEOASA-N 441.485 -2.364 0 20 IAAD O=C(CN1CCSCC1)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783253524 SBVOBXZWJNZGSC-IBGZPJMESA-N 430.571 -1.848 0 20 IAAD NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783627489 CQITXXYBHCTPDI-XUXIUFHCSA-N 430.465 -1.305 0 20 IAAD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981956 JRCWDMKCTAZEHG-HNNXBMFYSA-N 439.460 -1.021 0 20 IAAD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784602514 YQTFPWRRYHPWAD-URKNILKWSA-N 445.484 -1.466 0 20 IAAD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787525977 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O=C1CN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc5ncnn5c4)C3)C2)C(=O)N1 1778736446 VLKINBFHRCFYQS-LJQANCHMSA-N 427.421 -1.275 0 20 IAAD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1779311711 XORBONOVUKDOAF-XUWXXGDYSA-N 433.527 -1.352 0 20 IAAD O=C(CN1CCS(=O)(=O)CC1)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779548240 LFWVATBGDTUWBS-IBGZPJMESA-N 441.506 -1.054 0 20 IAAD NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1779879721 RBSKJHVTVAWXNP-LJQANCHMSA-N 427.421 -1.724 0 20 IAAD O=C1CN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc[n+]([O-])cc3)C2)C(=O)N1 1779942925 AMKOZMYIEUMBRP-FOIQADDNSA-N 431.449 -1.001 0 20 IAAD O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1781837156 XPLLYKIQZRNQSK-DNVCBOLYSA-N 425.486 -1.471 0 20 IAAD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1784444610 RHEGXCZLZFEFJV-MRLBHPIUSA-N 443.530 -1.458 0 20 IAAD NC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1785629599 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CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)o1 1544728959 ZBNPCHKZPNGXQP-LLVKDONJSA-N 440.521 -1.042 0 20 IAAD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1645168637 JEKDCQUTFIZZFX-JHJVBQTASA-N 426.900 -1.093 0 20 IAAD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1779070009 SYSXRBNGJNIMQJ-PMUMKWKESA-N 427.410 -1.581 0 20 IAAD CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)CCC1=O 1779873956 VIPGFARVYIBPDR-IBGZPJMESA-N 429.437 -1.373 0 20 IAAD NC(=O)c1nccnc1C(=O)N1CC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1779877600 ZUVXFYOANQZNCL-FQEVSTJZSA-N 426.433 -1.119 0 20 IAAD COCCOCCOCCOCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1782069915 WBXVBJNYODFWFT-OXQOHEQNSA-N 448.513 -1.493 0 20 IAAD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1782645995 OACUBYDTOWPGKQ-DYVFJYSZSA-N 432.568 -1.123 0 20 IAAD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782747260 GVCNFYORCKVGKO-PXAZEXFGSA-N 430.414 -2.576 0 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Cn1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(=O)n5[nH]nnc5n4)C[C@@H]32)cn1 1791667887 UPNZUIGRWQOEAI-YDHLFZDLSA-N 441.452 -1.618 0 20 IAAD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)C1 1792965114 OXTYURCAXLCGGT-OHTRNCERSA-N 436.465 -1.237 0 20 IAAD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784493 QCBRGNZXBPLDFW-NFFDBFGFSA-N 428.511 -1.135 0 20 IAAD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)nn1C 1795519026 UDVVZCIVGYXGOS-FVCICTRLSA-N 429.414 -1.415 0 20 IAAD Nc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)s1 1795728595 PLMRIAVOQAJEQM-YFKFIEJBSA-N 430.450 -1.027 0 20 IAAD O=C(Cn1cnnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1795859068 VPBNLLHDFWUMDG-YWVIFJGQSA-N 446.493 -1.832 0 20 IAAD CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797583690 JNFAOVPPHRKTFR-ZDFLXESQSA-N 428.486 -1.053 0 20 IAAD 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1837381281 OPRQCUQZESNSET-BFUOFWGJSA-N 436.469 -1.040 0 20 IAAD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1837500530 XXQQXJBKLFROOJ-KBXCAEBGSA-N 440.409 -1.366 0 20 IAAD O=C(Cc1ccccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837517541 WIKYVCYGPNPHRH-TZIWHRDSSA-N 434.493 -1.269 0 20 IAAD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)nn1 1838347037 GBQJNJCJNTUPON-KRWDZBQOSA-N 428.467 -1.400 0 20 IAAD C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1838501912 ZCMNHTXWMOUIBH-XOBRGWDASA-N 430.465 -1.246 0 20 IAAD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c2c1CCC2 1839078047 IFOFREBGYAHTLQ-HTZUNMPGSA-N 433.509 -1.298 0 20 IAAD CC(=O)N1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2nccn2)CCO3)CC1 1839236414 ZHQMJVLAWWPVGJ-HXUWFJFHSA-N 449.512 -2.101 0 20 IAAD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1)n1cnnn1 1839665700 SQQDYRJPKAXZRQ-KSSFIOAISA-N 432.441 -2.053 0 20 IAAD 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0 20 IAAD CN1CCN(C2(C(=O)N3CCOC[C@@]4(CN(C(=O)COCCO)CCO4)C3)CC2)CC1 1839194756 UECLCJKKJSLOMV-HXUWFJFHSA-N 440.541 -1.768 0 20 IAAD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1839215645 DHKMOZJJGGXMTP-KHYOSLBOSA-N 443.522 -1.359 0 20 IAAD O=C(Cn1cccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781918 IHBNAPHVVIUPTN-CRAIPNDOSA-N 426.495 -1.083 0 20 IAAD O=C(CN(CCO)CCO)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839917208 GCGBCGPJTRZWTP-QGZVFWFLSA-N 429.499 -2.105 0 20 IAAD Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)cc1O 1839917831 UWCUAFSHWZKMLX-LJQANCHMSA-N 441.485 -2.518 0 20 IAAD O=C(O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360283 WTQVOENJGSOXHM-QGZVFWFLSA-N 427.483 -1.058 0 20 IAAD CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1)C(=O)O 1840379883 NFBDTFOICGRZNL-SJCJKPOMSA-N 442.498 -1.584 0 20 IAAD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1)n1cnnn1 1840475682 JTAADBBIOKXCFD-KXBFYZLASA-N 431.453 -1.448 0 20 IAAD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1)n1cnnn1 1840480530 VPLYPNOETFOVTJ-SJKOYZFVSA-N 439.429 -2.767 0 20 IAAD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840490831 NEJMLDFJOHUVMB-DKICVRJWSA-N 436.513 -1.198 0 20 IAAD CN(CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1)C(=O)C(=O)O 1842059287 GZNKBHBZWQBXKR-LLVKDONJSA-N 447.448 -1.261 0 20 IAAD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 440029644 RMNZSEPXJHFJOT-XJKSGUPXSA-N 443.460 -1.288 0 20 IAAD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(CNS(C)(=O)=O)o3)CC2)CC1 440535733 SPUUPHBKVUHJAP-UHFFFAOYSA-N 449.555 -1.421 0 20 IAAD C[C@@H](C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469535320 KPRRXAFGRYDDJZ-KSWINOGPSA-N 431.449 -0.769 0 20 IAAD C[C@H](C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469535321 KPRRXAFGRYDDJZ-LWQKMWDQSA-N 431.449 -0.769 0 20 IAAD CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 474213851 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429.499 -1.729 0 20 IAAD O=c1onc(-c2ccccc2)n1C[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 440478220 KMDQPTCHFZPHDK-ZACQAIPSSA-N 438.506 -1.048 0 20 IAAD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)o1 446517215 DWEJZIWCYPVUBP-CHPZLBCBSA-N 436.446 -1.420 0 20 IAAD O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 448476671 BWHDVHFKPYVWPW-UHFFFAOYSA-N 447.540 -1.080 0 20 IAAD Cn1c(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)nc2n(C)c1=O 462070691 AOSIWSPESYGJIL-UHFFFAOYSA-N 448.461 -1.092 0 20 IAAD CC(C)[C@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)N1CCCS1(=O)=O 467082430 TXIHVSJFXJTHRT-OAHLLOKOSA-N 428.515 -1.465 0 20 IAAD O=C1NC[C@H]2CN(CC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)CCN2C1=O 483308980 ATIWNFAYLALOIO-CVEARBPZSA-N 426.539 -1.023 0 20 IAAD C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 484450673 DAIHPDSKLUNOCQ-GXTWGEPZSA-N 440.478 -1.646 0 20 IAAD CN(C)C1(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCC1 500430310 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438.528 -1.356 0 20 IAAD COc1cc(N2CCN(C(=O)C(=O)NC3CCN(CC(=O)N(C)C)CC3)CC2)ncn1 554122330 AAPSRJPKTOWCNO-UHFFFAOYSA-N 433.513 -1.197 0 20 IAAD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 557789280 VAJCADMJPYCMEV-OAHLLOKOSA-N 443.522 -1.263 0 20 IAAD CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 561758738 MZEYKXSPAIREAD-OAHLLOKOSA-N 431.559 -1.416 0 20 IAAD O=C(CNS(=O)(=O)c1cccc(F)c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 567882480 APDGGTNAXYKJDT-GJZGRUSLSA-N 435.499 -1.282 0 20 IAAD Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2=O)n(C)n1 570595912 YHORJRFOYALMSQ-AWEZNQCLSA-N 444.496 -1.149 0 20 IAAD CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 604188354 MXSLNOUANMAMMP-UHFFFAOYSA-N 439.542 -1.411 0 20 IAAD O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 604667680 HJQFNDFOMAPOCQ-GOSISDBHSA-N 436.557 -1.131 0 20 IAAD CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1314705599 MAJWREXWDJWBLT-KBXCAEBGSA-N 443.526 -1.373 0 20 IAAD 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1835563993 GHPLURMVRWRNNC-GUYCJALGSA-N 434.515 -2.530 0 20 IAAD Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c(C(F)(F)F)n1 1835574921 GWYQEBBSPTZUNA-MRXNPFEDSA-N 447.418 -1.008 0 20 IAAD N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1835648004 MLVVVJVHSLHBGX-KRWDZBQOSA-N 440.482 -1.025 0 20 IAAD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1)C(=O)O 1835752683 SRCBXJHDNUSARH-ACJLOTCBSA-N 447.510 -1.588 0 20 IAAD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1835804924 ZQYMYPMAAUXCAK-KZULUSFZSA-N 440.526 -1.303 0 20 IAAD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2)C(=O)O 1835842184 SNEGTPUHMDZBIU-PIGZYNQJSA-N 427.483 -1.142 0 20 IAAD COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835886473 YLRPYNDXMJPGQN-YLJYHZDGSA-N 428.530 -1.018 0 20 IAAD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835994112 SKZKINCOINTXDG-LJQANCHMSA-N 441.506 -1.261 0 20 IAAD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836124888 XHVCELUDDKPBDF-VBKZILBWSA-N 436.465 -1.023 0 20 IAAD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)CC1 1836769645 SOSBKBVBLDZSJL-NRFANRHFSA-N 437.541 -1.832 0 20 IAAD NC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836791390 PZAIPINCUYJIHO-HXUWFJFHSA-N 431.449 -1.081 0 20 IAAD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1837209465 REDFMUGBXMIAOE-KSSFIOAISA-N 425.442 -1.147 0 20 IAAD CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1837245875 FMZKIXLZLGYIOZ-WWOZWPLTSA-N 441.506 -1.474 0 20 IAAD Nc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)N2CCOCC2)CCO3)s1 1837517667 YGBNWQNJYLVXMM-YJBOKZPZSA-N 441.510 -1.554 0 20 IAAD O=C([C@H]1[C@H]2SC=C[C@H]21)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837522179 ZBTDCYFTFBULJA-SQWXYCIISA-N 439.534 -1.032 0 20 IAAD O=C(NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2)c1cccnc1 1838314517 XSOKQQQEEHBFFK-IBGZPJMESA-N 430.421 -1.035 0 20 IAAD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838642792 LWVQFIOCBYRXBR-RTBURBONSA-N 438.437 -1.544 0 20 IAAD COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)cc1 1839076185 GSHCKYNAVOXAQH-UYZIEWPDSA-N 449.504 -1.092 0 20 IAAD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839652511 INZCMVNUOQAEAP-LIRRHRJNSA-N 441.554 -1.547 0 20 IAAD Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1=O 1839662349 JKSNQAXYVOGVDE-NRFANRHFSA-N 443.460 -1.288 0 20 IAAD CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840261428 FAJIKTXVDAMIRR-FQEVSTJZSA-N 436.465 -1.764 0 20 IAAD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)c1 1840403320 AVTHBJYGBSLZMM-TWOQFEAHSA-N 436.513 -1.198 0 20 IAAD CN1CCN(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCn2ccnn2)CCO3)CC1 1840447047 UTFNSHLNXQAVDA-NRFANRHFSA-N 449.556 -1.238 0 20 IAAD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1)n1cnnn1 1840476134 WLPXCASBNXKICI-LIRRHRJNSA-N 447.452 -1.287 0 20 IAAD CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1840548590 NCMDIAUJSJQIPQ-SJKOYZFVSA-N 446.482 -2.524 0 20 IAAD COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 431232773 ZNUOXHPDFFVRCT-JKSUJKDBSA-N 437.541 -1.011 0 20 IAAD CN(CC(=O)NC[C@@H](CC(C)(C)C)NC(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O 442820307 BGACPYGEKGYDGM-GFCCVEGCSA-N 428.577 -1.194 0 20 IAAD CS(=O)(=O)N1CC(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 444324864 FBGMQGOYFWCRAK-HIFRSBDPSA-N 435.499 -1.043 0 20 IAAD Cc1ccc([C@@H](CNC(=O)CN2CCN(C)C(=O)C2)NC(=O)CN2CCN(C)C(=O)C2)o1 460128125 JHAWNYFDNITYMA-MRXNPFEDSA-N 448.524 -1.590 0 20 IAAD CN(CC(=O)N1CCN(C(=O)CN(C)[C@@]2(CO)CCOC2)CC1)[C@@]1(CO)CCOC1 461366635 OZKJEBTVJHTWCL-WOJBJXKFSA-N 428.530 -2.176 0 20 IAAD C[C@H]1C[C@H](C(=O)NCCS(=O)(=O)N(C)C)[C@H](C(=O)NCCS(=O)(=O)N(C)C)C1 461644721 FGWLNHMAINGGKX-ZSOGYDGISA-N 440.588 -1.336 0 20 IAAD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 491887744 JGHSCGPATHPTOM-LBPRGKRZSA-N 428.496 -1.024 0 20 IAAD NC(=O)[C@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCO1 497603345 BHUNQIOOJPNYGS-OAHLLOKOSA-N 426.495 -1.490 0 20 IAAD CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1F 537646626 FYGGUFBUNNMHTK-JTQLQIEISA-N 434.471 -1.081 0 20 IAAD CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 560985227 APWPYPOKVOEINE-SFHVURJKSA-N 444.536 -1.036 0 20 IAAD COCCN1CCCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1=O 567540502 STETUCDEMRAYTD-HNNXBMFYSA-N 434.497 -1.265 0 20 IAAD CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 572669766 LEYCVAJYBYVJLF-KRWDZBQOSA-N 438.573 -1.297 0 20 IAAD O=C(NC[C@@H]1COCCO1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 584830326 IMIGEPWKROLYDG-HZPDHXFCSA-N 434.497 -1.070 0 20 IAAD CN(C)S(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 675737985 LGHWGIMYEYYROJ-UHFFFAOYSA-N 439.542 -1.144 0 20 IAAD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(CC[S@@](C)=O)CC1 763058269 ZNVXSCIACXONSY-JGTBNHKDSA-N 430.552 -1.025 0 20 IAAD CN(C)C(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 917225598 NAUTUUPLQQDCDI-LSOMNZGLSA-N 432.477 -1.431 0 20 IAAD Cn1cc(S(=O)(=O)NCC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 918382668 BYVPPMOUMUSDHJ-UHFFFAOYSA-N 444.514 -1.106 0 20 IAAD C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1116172525 GDXDLXRNIHLTBD-LZWOXQAQSA-N 447.554 -1.227 0 20 IAAD NC(=O)CCN(C(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccc(F)cc1 1336602051 QYVXDYUOSRNKNZ-IRXDYDNUSA-N 442.513 -1.190 0 20 IAAD CNS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 1347448026 VJVGZWSDLJYGBK-HNNXBMFYSA-N 437.588 -2.164 0 20 IAAD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1448453716 RLTAVZSSMFQTLO-INIZCTEOSA-N 442.490 -1.098 0 20 IAAD CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1769331731 IKRMEZDAJRMWOU-CYBMUJFWSA-N 448.571 -1.212 0 20 IAAD O=C1NC(=O)[C@@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc5nncn5c4)C3)C2)N1 1778591106 NIQWROSEQGTHBM-YJYMSZOUSA-N 427.421 -1.229 0 20 IAAD O=C(c1ccc2c(n1)OCCO2)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779093392 WBEBXNTUOVVKBK-PZJWPPBQSA-N 448.476 -1.053 0 20 IAAD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779878817 FLJDNQGPHRNXDC-LJQANCHMSA-N 440.420 -1.778 0 20 IAAD N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780936823 ZFQWIANSSXMHDE-SFHVURJKSA-N 435.510 -1.796 0 20 IAAD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)n(C)n1 1783252635 YJPYKJOZJRNZFD-IBGZPJMESA-N 425.486 -1.841 0 20 IAAD O=C(CN(CCO)CCO)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1783256431 NVSCEMYBPZGELI-IBGZPJMESA-N 449.468 -2.852 0 20 IAAD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H]2C1 1783580233 JLULAWKBVOQUOK-KSXIZUIISA-N 428.486 -1.055 0 20 IAAD C[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2)C1 1785609302 ZKOAQPLEGHMVAJ-JMERFSKESA-N 428.486 -1.034 0 20 IAAD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21)c1nc[nH]n1 1787220518 GLZFABQGAMCHGN-KWBADKCTSA-N 435.466 -1.137 0 20 IAAD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269922 NFLALDSVNRXLGK-ZPFDUUQYSA-N 447.456 -2.147 0 20 IAAD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21)c1cn[nH]c1 1787611934 LMFNFKMRTZBLGK-BPUTZDHNSA-N 425.511 -1.267 0 20 IAAD CCOC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1792228307 JKDFGFJBPSDDFG-ULQDDVLXSA-N 443.541 -1.158 0 20 IAAD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2)C1CCC(CO)CC1 1793854193 PZXKYFWOOKOHKJ-IKYFERDQSA-N 427.542 -1.339 0 20 IAAD Nc1n[nH]c(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)n1 1794091403 LJORTUNFNOFCSP-BTTYYORXSA-N 439.542 -1.312 0 20 IAAD CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1795358931 VXLGDOIKZJNCLX-YFKFIEJBSA-N 425.427 -2.940 0 20 IAAD 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