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M STY 1 2 SUP
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M SAL 2 2 45 46
M SBL 2 1 48
M SMT 2 MeO
M SBV 2 48 -5.6218 5.2868
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(F)cc1
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USRE039991-20080101-C00528
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0442.cdx
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(F)cc1F
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InChI=1S/C33H32F2N2O10/c1-17(2)30(39)46-27-18(3)45-33(42)24(16-44-31(40)22(27)14-19-8-6-5-7-9-19)37-29(38)26-28(25(43-4)12-13-36-26)47-32(41)21-11-10-20(34)15-23(21)35/h5-13,15,17-18,22,24,27H,14,16H2,1-4H3,(H,37,38)/t18-,22+,24-,27-/m0/s1
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USRE039991-20080101-C00529
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0443.cdx
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M END
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(F)c(F)c1
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USRE039991-20080101-C00530
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0444.cdx
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M SMT 2 Ph
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(Cl)c(Cl)c1
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[C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
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USRE039991-20080101-C00535
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0449.cdx
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1c(Cl)cccc1Cl
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InChI=1S/C33H32Cl2N2O10/c1-17(2)30(39)46-27-18(3)45-32(41)23(16-44-31(40)20(27)15-19-9-6-5-7-10-19)37-29(38)26-28(24(43-4)13-14-36-26)47-33(42)25-21(34)11-8-12-22(25)35/h5-14,17-18,20,23,27H,15-16H2,1-4H3,(H,37,38)/t18-,20+,23-,27-/m0/s1
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USRE039991-20080101-C00536
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1c(Cl)cc(Cl)cc1Cl
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USRE039991-20080101-C00537
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0451.cdx
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M SAL 1 2 34 35
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M SMT 1 MeO
M SBV 1 35 -5.6218 4.6045
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 6 36 37 38 39 40 41
M SBL 2 1 37
M SMT 2 Ph
M SBV 2 37 -4.7968 4.0410
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 6 42 43 44 45 46 47
M SBL 3 1 44
M SMT 3 Ph
M SBV 3 44 -4.5906 3.6838
M END
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M STY 1 3 SUP
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M SAL 3 6 43 44 45 46 47 48
M SBL 3 1 45
M SMT 3 Ph
M SBV 3 45 -4.5906 3.6838
M END
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CCC(C(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O)c1ccccc1
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USRE039991-20080101-C00543
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M STY 1 2 SUP
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M SAL 2 2 39 40
M SBL 2 1 41
M SMT 2 OMe
M SBV 2 41 -4.7968 4.2473
M STY 1 3 SUP
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M SBL 3 1 43
M SMT 3 MeO
M SBV 3 43 -5.6218 5.1127
M END
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COCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
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USRE039991-20080101-C00544
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M SMT 1 OPh
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M STY 1 2 SUP
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M SBL 2 1 42
M SMT 2 MeO
M SBV 2 42 -5.6218 4.6045
M STY 1 3 SUP
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M SMT 3 Ph
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)COc1ccccc1
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M STY 1 2 SUP
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M SAL 2 6 38 39 40 41 42 43
M SBL 2 1 39
M SMT 2 Ph
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USRE039991-20080101-C00580
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M SBV 2 41 -4.5906 4.1267
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCCCCCl
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[C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C][C][C][Cl]
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USRE039991-20080101-C00581
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0495.cdx
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M SAL 2 2 40 41
M SBL 2 1 42
M SMT 2 MeO
M SBV 2 42 -5.6218 4.3329
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M END
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCC(Cl)(Cl)Cl
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InChI=1S/C29H31Cl3N2O11/c1-15(2)25(36)44-22-16(3)43-27(38)19(13-41-26(37)18(22)12-17-8-6-5-7-9-17)34-24(35)21-23(20(40-4)10-11-33-21)45-28(39)42-14-29(30,31)32/h5-11,15-16,18-19,22H,12-14H2,1-4H3,(H,34,35)/t16-,18+,19-,22-/m0/s1
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USRE039991-20080101-C00582
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0496.cdx
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M SMT 2 MeO
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M STY 1 3 SUP
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCc1ccccc1
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USRE039991-20080101-C00583
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0497.cdx
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M SBL 1 1 43
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M SMT 2 Ph
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)OCc1ccccc1Cl
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USRE039991-20080101-C00584
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0498.cdx
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M SBV 1 33 -5.0031 4.9636
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M SLB 1 2 2
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M SBV 2 35 -4.7968 4.0429
M STY 1 3 SUP
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M SMT 3 Ph
M SBV 3 43 -3.9718 4.0429
M END
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)Oc1ccccc1
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USRE039991-20080101-C00585
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0499.cdx
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 42
M SMT 1 MeO
M SBV 1 42 -5.6218 4.6064
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 6 42 43 44 45 46 47
M SBL 2 1 44
M SMT 2 Ph
M SBV 2 44 -4.5906 3.6856
M END
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COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)Oc1ccc(C)cc1
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|
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