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  1. 1 - 31
Compound 5
Drug synonym:Not Available
Molecular Weight:846.552
Molecular Formula:C22H23Br4ClN10O4
SMILES:[H][C@@]12NC(=N)N[C@]1(O)[C@@]1([H])[C@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@H](Cl)[C@]11[C@H](O)N=C(N)N21
InChI:1S/C22H23Br4ClN10O4/c23-7-1-9(32-13(7)25)15(38)30-3-5-6(4-31-16(39)10-2-8(24)14(26)33-10)12(27)21-11(5)22(41)17(34-19(28)36-22)37(21)20(29)35-18(21)40/h1-2,5-6,11-12,17-18,32-33,40-41H,3-4H2,(H2,29,35)(H,30,38)(H,31,39)(H3,28,34,36)/t5-,6-,11+,12+,17+,18+,21+,22+/m1/s1
InChIKey:NDKURSLTVHZNHX-ZGCAKMIFSA-N
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Compound 1
Drug synonym:Not Available
Molecular Weight:389.046
Molecular Formula:C11H11Br2N5O
SMILES:NC1=NC=C(N1)\C=C\CNC(=O)C1=CC(Br)=C(Br)N1
InChI:1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)/b2-1+
InChIKey:QKJAXHBFQSBDAR-OWOJBTEDSA-N
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Compound 2
Drug synonym:Not Available
Molecular Weight:341.161
Molecular Formula:C12H13BrN4O3
SMILES:[H][C@@]12C[C@@]3(O)N(C)C(=O)N[C@@]3([H])[C@]1([H])NC(=O)C1=CC=C(Br)N21
InChI:1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1
InChIKey:MPASKXAEPUAMBS-WJOUQXRDSA-N
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Compound 3
Drug synonym:Not Available
Molecular Weight:420.057
Molecular Formula:C12H12Br2N4O3
SMILES:[H][C@@]12C[C@@]3(O)N(C)C(=O)N[C@@]3([H])[C@]1([H])NC(=O)C1=CC(Br)=C(Br)N21
InChI:1S/C12H12Br2N4O3/c1-17-11(20)16-8-7-6(3-12(8,17)21)18-5(10(19)15-7)2-4(13)9(18)14/h2,6-8,21H,3H2,1H3,(H,15,19)(H,16,20)/t6-,7-,8+,12+/m1/s1
InChIKey:IRISBJGHXIFQBW-GYAIJENASA-N
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Compound 4
Drug synonym:Not Available
Molecular Weight:389.046
Molecular Formula:C11H11Br2N5O
SMILES:NC1=N[C@@]23CCCN2C(=O)C2=CC(Br)=C(Br)N2[C@H]3N1
InChI:1S/C11H11Br2N5O/c12-5-4-6-8(19)17-3-1-2-11(17)9(15-10(14)16-11)18(6)7(5)13/h4,9H,1-3H2,(H3,14,15,16)/t9-,11+/m1/s1
InChIKey:MKCFBJDWCJAOTN-KOLCDFICSA-N
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Compound 6
Drug synonym:Not Available
Molecular Weight:828.106
Molecular Formula:C22H24Br4N10O5
SMILES:[H][C@]12NC(=N)N[C@@]1(O)[C@@]1([H])[C@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@@H](CNC(=O)C3=CC(Br)=C(Br)N3)[C@H](O)[C@@]11NC(=N)N[C@H]1O2
InChI:1S/C22H24Br4N10O5/c23-7-1-9(31-13(7)25)15(38)29-3-5-6(4-30-16(39)10-2-8(24)14(26)32-10)12(37)21-11(5)22(40)18(34-20(28)36-22)41-17(21)33-19(27)35-21/h1-2,5-6,11-12,17-18,31-32,37,40H,3-4H2,(H,29,38)(H,30,39)(H3,27,33,35)(H3,28,34,36)/t5-,6-,11+,12+,17+,18-,21+,22-/m1/s1
InChIKey:MJHZRZBAUGHJOJ-RVJSRHHYSA-N
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Compound 7
Drug synonym:Not Available
Molecular Weight:419.869
Molecular Formula:C17H22ClN9O2
SMILES:[H][C@]12CN3C(=O)C4=CC=CN4[C@]4([H])NC(N)=N[C@]34[C@]1([H])[C@]1(N=C(N)NC1O)[C@@H](Cl)[C@@H]2CN
InChI:1S/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7-,9+,10+,12+,13?,16+,17-/m1/s1
InChIKey:VYOQBYCIIJYKJA-OTOSILHTSA-N
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Compound 8
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 11
Drug synonym:Not Available
Molecular Weight:255.2671
Molecular Formula:C12H17NO5
SMILES:CCOC(=O)\C=C\CCCC1=[N+]([O-])CC(=O)OC1
InChI:1S/C12H17NO5/c1-2-17-11(14)7-5-3-4-6-10-9-18-12(15)8-13(10)16/h5,7H,2-4,6,8-9H2,1H3/b7-5+
InChIKey:KQEPBKDSROAKOU-FNORWQNLSA-N
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Compound 10
Drug synonym:Not Available
Molecular Weight:255.2671
Molecular Formula:C12H17NO5
SMILES:[H][C@]12CCC[C@]11COC(=O)CN1O[C@@H]2C(=O)OCC
InChI:1S/C12H17NO5/c1-2-16-11(15)10-8-4-3-5-12(8)7-17-9(14)6-13(12)18-10/h8,10H,2-7H2,1H3/t8-,10+,12+/m1/s1
InChIKey:DPECABBLPHRNMQ-QRTLGDNMSA-N
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Compound 9
Drug synonym:Not Available
Molecular Weight:217.2622
Molecular Formula:C10H19NO4
SMILES:[H][C@@]1(CCC[C@]1(N)CO)[C@H](O)C(=O)OCC
InChI:1S/C10H19NO4/c1-2-15-9(14)8(13)7-4-3-5-10(7,11)6-12/h7-8,12-13H,2-6,11H2,1H3/t7-,8+,10+/m1/s1
InChIKey:BCOUAIMARKGTPB-WEDXCCLWSA-N
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Compound 12
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:OCCCCC=C
InChI:1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
InChIKey:UIZVMOZAXAMASY-UHFFFAOYSA-N
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Compound 13
Drug synonym:Not Available
Molecular Weight:184.2322
Molecular Formula:C10H16O3
SMILES:CCOC(=O)\C=C\CCCC1CO1
InChI:1S/C10H16O3/c1-2-12-10(11)7-5-3-4-6-9-8-13-9/h5,7,9H,2-4,6,8H2,1H3/b7-5+
InChIKey:FUJRLXTYBKVAOL-FNORWQNLSA-N
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Compound 14
Drug synonym:Not Available
Molecular Weight:200.2316
Molecular Formula:C10H16O4
SMILES:CCOC(=O)\C=C\CCCC(=O)CO
InChI:1S/C10H16O4/c1-2-14-10(13)7-5-3-4-6-9(12)8-11/h5,7,11H,2-4,6,8H2,1H3/b7-5+
InChIKey:MRNHKDALACFYCE-FNORWQNLSA-N
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Compound 15
Drug synonym:Not Available
Molecular Weight:473.514
Molecular Formula:C22H35NO10
SMILES:CCOC(=O)\C=C\CCCC(=O)COC(=O)CN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI:1S/C22H35NO10/c1-8-29-17(25)13-11-9-10-12-16(24)15-30-18(26)14-23(19(27)31-21(2,3)4)33-20(28)32-22(5,6)7/h11,13H,8-10,12,14-15H2,1-7H3/b13-11+
InChIKey:OAMOGAJKQBQDPT-ACCUITESSA-N
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Compound 16
Drug synonym:Not Available
Molecular Weight:291.2976
Molecular Formula:C12H21NO7
SMILES:CC(C)(C)OC(=O)ON(CC(O)=O)C(=O)OC(C)(C)C
InChI:1S/C12H21NO7/c1-11(2,3)18-9(16)13(7-8(14)15)20-10(17)19-12(4,5)6/h7H2,1-6H3,(H,14,15)
InChIKey:TXMVIRONXMGZEC-UHFFFAOYSA-N
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Compound 12-epi-10
Drug synonym:Not Available
Molecular Weight:255.2671
Molecular Formula:C12H17NO5
SMILES:[H][C@@]12CCC[C@]11COC(=O)CN1O[C@H]2C(=O)OCC
InChI:1S/C12H17NO5/c1-2-16-11(15)10-8-4-3-5-12(8)7-17-9(14)6-13(12)18-10/h8,10H,2-7H2,1H3/t8-,10+,12-/m0/s1
InChIKey:DPECABBLPHRNMQ-XRNSZHNASA-N
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Compound 17
Drug synonym:Not Available
Molecular Weight:257.283
Molecular Formula:C12H19NO5
SMILES:[H][C@@]1(CCC[C@]11COC(=O)CN1)[C@H](O)C(=O)OCC
InChI:1S/C12H19NO5/c1-2-17-11(16)10(15)8-4-3-5-12(8)7-18-9(14)6-13-12/h8,10,13,15H,2-7H2,1H3/t8-,10+,12+/m1/s1
InChIKey:BJSPUJVEVSNTQH-QRTLGDNMSA-N
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Compound 18
Drug synonym:Not Available
Molecular Weight:255.2671
Molecular Formula:C12H17NO5
SMILES:[H][C@@]1(CCC[C@]11COC(=O)C=N1)[C@H](O)C(=O)OCC
InChI:1S/C12H17NO5/c1-2-17-11(16)10(15)8-4-3-5-12(8)7-18-9(14)6-13-12/h6,8,10,15H,2-5,7H2,1H3/t8-,10+,12+/m1/s1
InChIKey:IXXKRYJKMQTJHA-QRTLGDNMSA-N
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Compound 19
Drug synonym:Not Available
Molecular Weight:271.2665
Molecular Formula:C12H17NO6
SMILES:[H][C@@]1(CCC[C@]11COC(=O)C=[N+]1[O-])[C@H](O)C(=O)OCC
InChI:1S/C12H17NO6/c1-2-18-11(16)10(15)8-4-3-5-12(8)7-19-9(14)6-13(12)17/h6,8,10,15H,2-5,7H2,1H3/t8-,10+,12+/m1/s1
InChIKey:HOLHJMPBLJYPMG-QRTLGDNMSA-N
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Compound 22
Drug synonym:Not Available
Molecular Weight:587.7779
Molecular Formula:C34H41NO6Si
SMILES:CCOC(=O)\C=C\CCCC(=O)COC(=O)C(NO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C1=CC=CC=C1
InChI:1S/C34H41NO6Si/c1-5-39-31(37)25-17-7-12-20-28(36)26-40-33(38)32(27-18-10-6-11-19-27)35-41-42(34(2,3)4,29-21-13-8-14-22-29)30-23-15-9-16-24-30/h6,8-11,13-19,21-25,32,35H,5,7,12,20,26H2,1-4H3/b25-17+
InChIKey:GLKLJDSOGRQEBX-KOEQRZSOSA-N
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Compound 21
Drug synonym:Not Available
Molecular Weight:405.5616
Molecular Formula:C24H27NO3Si
SMILES:CC(C)(C)[Si](ONC(C(O)=O)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C24H27NO3Si/c1-24(2,3)29(20-15-9-5-10-16-20,21-17-11-6-12-18-21)28-25-22(23(26)27)19-13-7-4-8-14-19/h4-18,22,25H,1-3H3,(H,26,27)
InChIKey:ALZZBHFDDICDIL-UHFFFAOYSA-N
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Compound 23
Drug synonym:Not Available
Molecular Weight:331.363
Molecular Formula:C18H21NO5
SMILES:CCOC(=O)\C=C\CCCC1=[N+]([O-])C(C(=O)OC1)C1=CC=CC=C1
InChI:1S/C18H21NO5/c1-2-23-16(20)12-8-4-7-11-15-13-24-18(21)17(19(15)22)14-9-5-3-6-10-14/h3,5-6,8-10,12,17H,2,4,7,11,13H2,1H3/b12-8+
InChIKey:WORFMWHDRLRPBS-XYOKQWHBSA-N
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Compound 25
Drug synonym:Not Available
Molecular Weight:331.363
Molecular Formula:C18H21NO5
SMILES:[H][C@@]1(CCC[C@]11COC(=O)C(=N1)C1=CC=CC=C1)[C@H](O)C(=O)OCC
InChI:1S/C18H21NO5/c1-2-23-17(22)15(20)13-9-6-10-18(13)11-24-16(21)14(19-18)12-7-4-3-5-8-12/h3-5,7-8,13,15,20H,2,6,9-11H2,1H3/t13-,15+,18+/m1/s1
InChIKey:NEDPJSFDEMEFGM-XUWXXGDYSA-N
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Compound 24
Drug synonym:Not Available
Molecular Weight:331.363
Molecular Formula:C18H21NO5
SMILES:[H][C@]12CCC[C@]11COC(=O)[C@@H](N1O[C@@H]2C(=O)OCC)C1=CC=CC=C1
InChI:1S/C18H21NO5/c1-2-22-17(21)15-13-9-6-10-18(13)11-23-16(20)14(19(18)24-15)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14+,15+,18+/m1/s1
InChIKey:FBCILIGOZUCKJT-LLDVTBCESA-N
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Compound 31
Drug synonym:Not Available
Molecular Weight:473.5188
Molecular Formula:C24H31N3O7
SMILES:[H][C@]12CCC[C@@]1(COC(C)=O)N(CC2=O)C(\NC(=O)OCC1=CC=CC=C1)=N\OC(=O)C(C)(C)C
InChI:1S/C24H31N3O7/c1-16(28)33-15-24-12-8-11-18(24)19(29)13-27(24)21(26-34-20(30)23(2,3)4)25-22(31)32-14-17-9-6-5-7-10-17/h5-7,9-10,18H,8,11-15H2,1-4H3,(H,25,26,31)/t18-,24+/m1/s1
InChIKey:BAKSTGFGQMLKHB-KOSHJBKYSA-N
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Compound 26
Drug synonym:Not Available
Molecular Weight:171.1937
Molecular Formula:C8H13NO3
SMILES:[H][C@]12CCC[C@@]1(CO)NC(=O)[C@H]2O
InChI:1S/C8H13NO3/c10-4-8-3-1-2-5(8)6(11)7(12)9-8/h5-6,10-11H,1-4H2,(H,9,12)/t5-,6+,8+/m1/s1
InChIKey:GSISCSQWPDJSPK-CHKWXVPMSA-N
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Compound 27
Drug synonym:Not Available
Molecular Weight:255.2671
Molecular Formula:C12H17NO5
SMILES:[H][C@]12CCC[C@@]1(COC(C)=O)NC(=O)[C@H]2OC(C)=O
InChI:1S/C12H17NO5/c1-7(14)17-6-12-5-3-4-9(12)10(11(16)13-12)18-8(2)15/h9-10H,3-6H2,1-2H3,(H,13,16)/t9-,10+,12+/m1/s1
InChIKey:CJMSASKGNYSFMM-SCVCMEIPSA-N
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Compound 28
Drug synonym:Not Available
Molecular Weight:355.3829
Molecular Formula:C17H25NO7
SMILES:[H][C@]12CCC[C@@]1(COC(C)=O)N(C(=O)OC(C)(C)C)C(=O)[C@H]2OC(C)=O
InChI:1S/C17H25NO7/c1-10(19)23-9-17-8-6-7-12(17)13(24-11(2)20)14(21)18(17)15(22)25-16(3,4)5/h12-13H,6-9H2,1-5H3/t12-,13+,17+/m1/s1
InChIKey:UAIBQMLWFSZIME-IGCXYCKISA-N
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Compound 29
Drug synonym:Not Available
Molecular Weight:315.3621
Molecular Formula:C15H25NO6
SMILES:[H][C@]12CCC[C@@]1(COC(C)=O)N(C(O)[C@H]2O)C(=O)OC(C)(C)C
InChI:1S/C15H25NO6/c1-9(17)21-8-15-7-5-6-10(15)11(18)12(19)16(15)13(20)22-14(2,3)4/h10-12,18-19H,5-8H2,1-4H3/t10-,11+,12?,15+/m1/s1
InChIKey:HKSGBFBRWWUEEO-YTZLLXOQSA-N
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Compound 30
Drug synonym:Not Available
Molecular Weight:197.231
Molecular Formula:C10H15NO3
SMILES:[H][C@]12CCC[C@@]1(COC(C)=O)NCC2=O
InChI:1S/C10H15NO3/c1-7(12)14-6-10-4-2-3-8(10)9(13)5-11-10/h8,11H,2-6H2,1H3/t8-,10+/m1/s1
InChIKey:CZNKCQGJGTZJMX-SCZZXKLOSA-N
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