
     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (1) 
UALIB-1932

>  <SMILES_RDKIT_2019.09.2>  (1) 
CC(C)OB1OC(C)(C)C(C)(C)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3

>  <SUBSTANCE_COMMENT>  (1) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (1) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (2) 
UALIB-1933

>  <SMILES_RDKIT_2019.09.2>  (2) 
C=CB1OC(C)(C)C(C)(C)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C8H15BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H,1H2,2-5H3

>  <SUBSTANCE_COMMENT>  (2) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (2) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (3) 
UALIB-1934

>  <SMILES_RDKIT_2019.09.2>  (3) 
CC1(C)OB(C2CC(C3=CC=CC=C3)=NO2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)13-10-12(17-18-13)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3

>  <SUBSTANCE_COMMENT>  (3) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (3) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (4) 
UALIB-1935

>  <SMILES_RDKIT_2019.09.2>  (4) 
CC(C)(C)C1=NOC(B2OC(C)(C)C(C)(C)O2)C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (4) 
InChI=1S/C13H24BNO3/c1-11(2,3)9-8-10(16-15-9)14-17-12(4,5)13(6,7)18-14/h10H,8H2,1-7H3

>  <SUBSTANCE_COMMENT>  (4) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (4) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (5) 
UALIB-1936

>  <SMILES_RDKIT_2019.09.2>  (5) 
CC1=NOC(B2OC(C)(C)C(C)(C)O2)C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (5) 
InChI=1S/C10H18BNO3/c1-7-6-8(13-12-7)11-14-9(2,3)10(4,5)15-11/h8H,6H2,1-5H3

>  <SUBSTANCE_COMMENT>  (5) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (5) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (6) 
UALIB-1937

>  <SMILES_RDKIT_2019.09.2>  (6) 
CCC1=NOC(B2OC(C)(C)C(C)(C)O2)C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (6) 
InChI=1S/C11H20BNO3/c1-6-8-7-9(14-13-8)12-15-10(2,3)11(4,5)16-12/h9H,6-7H2,1-5H3

>  <SUBSTANCE_COMMENT>  (6) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (6) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (7) 
UALIB-1938

>  <SMILES_RDKIT_2019.09.2>  (7) 
CC(C)(O[Si](C)(C)C)C1=NOC(B2OC(C)(C)C(C)(C)O2)C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (7) 
InChI=1S/C15H30BNO4Si/c1-13(2,21-22(7,8)9)11-10-12(18-17-11)16-19-14(3,4)15(5,6)20-16/h12H,10H2,1-9H3

>  <SUBSTANCE_COMMENT>  (7) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (7) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (8) 
UALIB-1939

>  <SMILES_RDKIT_2019.09.2>  (8) 
CC1(C)OB(C2CC(Br)=NO2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (8) 
InChI=1S/C9H15BBrNO3/c1-8(2)9(3,4)15-10(14-8)6-5-7(11)12-13-6/h6H,5H2,1-4H3

>  <SUBSTANCE_COMMENT>  (8) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (8) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (9) 
UALIB-1940

>  <SMILES_RDKIT_2019.09.2>  (9) 
CCOC(=O)C1=NOC(B2OC(C)(C)C(C)(C)O2)C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (9) 
InChI=1S/C12H20BNO5/c1-6-16-10(15)8-7-9(17-14-8)13-18-11(2,3)12(4,5)19-13/h9H,6-7H2,1-5H3

>  <SUBSTANCE_COMMENT>  (9) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (9) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (10) 
UALIB-1941

>  <SMILES_RDKIT_2019.09.2>  (10) 
CC1=CC(C)=C(C2=NOC(B3OC(C)(C)C(C)(C)O3)C2)C(C)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (10) 
InChI=1S/C18H26BNO3/c1-11-8-12(2)16(13(3)9-11)14-10-15(21-20-14)19-22-17(4,5)18(6,7)23-19/h8-9,15H,10H2,1-7H3

>  <SUBSTANCE_COMMENT>  (10) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (10) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (11) 
UALIB-1942

>  <SMILES_RDKIT_2019.09.2>  (11) 
CC1(C)OB(C2CC(COC3CCCCO3)=NO2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (11) 
InChI=1S/C15H26BNO5/c1-14(2)15(3,4)22-16(21-14)12-9-11(17-20-12)10-19-13-7-5-6-8-18-13/h12-13H,5-10H2,1-4H3

>  <SUBSTANCE_COMMENT>  (11) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (11) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (12) 
UALIB-1943

>  <SMILES_RDKIT_2019.09.2>  (12) 
C=C(B1OC(C)(C)C(C)(C)O1)C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (12) 
InChI=1S/C14H19BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3

>  <SUBSTANCE_COMMENT>  (12) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (12) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (13) 
UALIB-1944

>  <SMILES_RDKIT_2019.09.2>  (13) 
C=C(C)B1OC(C)(C)C(C)(C)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (13) 
InChI=1S/C9H17BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h1H2,2-6H3

>  <SUBSTANCE_COMMENT>  (13) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (13) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (14) 
UALIB-1945

>  <SMILES_RDKIT_2019.09.2>  (14) 
CC1(C)OB([C@]2(C)CC(C3=CC=CC=C3)=NO2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (14) 
InChI=1S/C16H22BNO3/c1-14(2)15(3,4)20-17(19-14)16(5)11-13(18-21-16)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3/t16-/m0/s1

>  <SUBSTANCE_COMMENT>  (14) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (14) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (15) 
UALIB-1946

>  <SMILES_RDKIT_2019.09.2>  (15) 
CC1(C)OB([C@]2(C3=CC=CC=C3)CC(C3=CC=CC=C3)=NO2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (15) 
InChI=1S/C21H24BNO3/c1-19(2)20(3,4)25-22(24-19)21(17-13-9-6-10-14-17)15-18(23-26-21)16-11-7-5-8-12-16/h5-14H,15H2,1-4H3/t21-/m1/s1

>  <SUBSTANCE_COMMENT>  (15) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (15) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (16) 
UALIB-1947

>  <SMILES_RDKIT_2019.09.2>  (16) 
CC1(C)OB([C@]2(C3=CC=CC=C3)CC(S(C)(=O)=O)=NO2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (16) 
InChI=1S/C16H22BNO5S/c1-14(2)15(3,4)22-17(21-14)16(12-9-7-6-8-10-12)11-13(18-23-16)24(5,19)20/h6-10H,11H2,1-5H3/t16-/m1/s1

>  <SUBSTANCE_COMMENT>  (16) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (16) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (17) 
UALIB-1948

>  <SMILES_RDKIT_2019.09.2>  (17) 
CCCC/C=C/B1OC(C)(C)C(C)(C)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (17) 
InChI=1S/C12H23BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h9-10H,6-8H2,1-5H3/b10-9+

>  <SUBSTANCE_COMMENT>  (17) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (17) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (18) 
UALIB-1949

>  <SMILES_RDKIT_2019.09.2>  (18) 
CCCCC1CC(C2=CC=CC=C2)=NO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (18) 
InChI=1S/C13H17NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3

>  <SUBSTANCE_COMMENT>  (18) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (18) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (19) 
UALIB-1950

>  <SMILES_RDKIT_2019.09.2>  (19) 
COC(=O)/C=C/B1OC(C)(C)C(C)(C)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (19) 
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>  <SUBSTANCE_COMMENT>  (19) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (19) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (20) 
UALIB-1951

>  <SMILES_RDKIT_2019.09.2>  (20) 
CCCCC1CC(C(C)(C)O[Si](C)(C)C)=NO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (20) 
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>  <SUBSTANCE_COMMENT>  (20) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (20) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (21) 
UALIB-1952

>  <SMILES_RDKIT_2019.09.2>  (21) 
CC1(C)OB(CC2CC(C3=CC=CC=C3)=NO2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (21) 
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)11-13-10-14(18-19-13)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3

>  <SUBSTANCE_COMMENT>  (21) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (21) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (22) 
UALIB-1953

>  <SMILES_RDKIT_2019.09.2>  (22) 
OCC1CC(C2=CC=CC=C2)=NO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (22) 
InChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

>  <SUBSTANCE_COMMENT>  (22) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (22) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (23) 
UALIB-1954

>  <SMILES_RDKIT_2019.09.2>  (23) 
CC1(C)OB([C@@H]2CCN(CC3=CC=CC=C3)C2)OC1(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (23) 
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>  <SUBSTANCE_COMMENT>  (23) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (23) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (24) 
UALIB-1955

>  <SMILES_RDKIT_2019.09.2>  (24) 
COC(=O)[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1B1OC(C)(C)C(C)(C)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (24) 
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>  <SUBSTANCE_COMMENT>  (24) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (24) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (25) 
UALIB-1956

>  <SMILES_RDKIT_2019.09.2>  (25) 
CC1(C)C2CC1[C@]1(C)OB([C@@H]3CCN(CC4=CC=CC=C4)C3)O[C@@H]1C2.CC1(C)C2CC1[C@]1(C)OB([C@H]3CCN(CC4=CC=CC=C4)C3)O[C@@H]1C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (25) 
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>  <SUBSTANCE_COMMENT>  (25) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (25) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (26) 
UALIB-1957

>  <SMILES_RDKIT_2019.09.2>  (26) 
C=CB(OCCCC)OCCCC

>  <INCHI_1.05_RDKIT_2019.09.2>  (26) 
InChI=1S/C10H21BO2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h6H,3-5,7-10H2,1-2H3

>  <SUBSTANCE_COMMENT>  (26) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (26) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (27) 
UALIB-1958

>  <SMILES_RDKIT_2019.09.2>  (27) 
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)O)C(C)C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (27) 
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>  <SUBSTANCE_COMMENT>  (27) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (27) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (28) 
UALIB-1959

>  <SMILES_RDKIT_2019.09.2>  (28) 
CC1=CC=C(S(=O)(=O)N[C@H](CO)C(C)C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (28) 
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>  <SUBSTANCE_COMMENT>  (28) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (28) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (29) 
UALIB-1960

>  <SMILES_RDKIT_2019.09.2>  (29) 
CN(C)B(Cl)N(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (29) 
InChI=1S/C4H12BClN2/c1-7(2)5(6)8(3)4/h1-4H3

>  <SUBSTANCE_COMMENT>  (29) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (29) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (30) 
UALIB-1961

>  <SMILES_RDKIT_2019.09.2>  (30) 
C=CB(N(C)C)N(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (30) 
InChI=1S/C6H15BN2/c1-6-7(8(2)3)9(4)5/h6H,1H2,2-5H3

>  <SUBSTANCE_COMMENT>  (30) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (30) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (31) 
UALIB-1962

>  <SMILES_RDKIT_2019.09.2>  (31) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (31) 
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>  <SUBSTANCE_COMMENT>  (31) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (31) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (32) 
UALIB-1963

>  <SMILES_RDKIT_2019.09.2>  (32) 
COCOC1=C(C2=C(OCOC)C(Br)=CC3=C2C=CC=C3)C2=C(C=CC=C2)C=C1Br

>  <INCHI_1.05_RDKIT_2019.09.2>  (32) 
InChI=1S/C24H20Br2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h3-12H,13-14H2,1-2H3

>  <SUBSTANCE_COMMENT>  (32) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (32) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (33) 
UALIB-1964

>  <SMILES_RDKIT_2019.09.2>  (33) 
OC1=C(C2=C(O)C(C3=CC=CC=C3)=CC3=C2C=CC=C3)C2=C(C=CC=C2)C=C1C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (33) 
InChI=1S/C32H22O2/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22/h1-20,33-34H

>  <SUBSTANCE_COMMENT>  (33) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (33) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (34) 
UALIB-1965

>  <SMILES_RDKIT_2019.09.2>  (34) 
CC1=CC2=C(C=CC=C2)C(C2=C(O)C(C)=CC3=C2C=CC=C3)=C1O

>  <INCHI_1.05_RDKIT_2019.09.2>  (34) 
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>  <SUBSTANCE_COMMENT>  (34) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (34) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (35) 
UALIB-1966

>  <SMILES_RDKIT_2019.09.2>  (35) 
COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (35) 
InChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m1/s1

>  <SUBSTANCE_COMMENT>  (35) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (35) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (36) 
UALIB-1967

>  <SMILES_RDKIT_2019.09.2>  (36) 
CC1(C)O[C@@H](C(O)(C2=CC=CC=C2)C2=CC=CC=C2)[C@H](C(O)(C2=CC=CC=C2)C2=CC=CC=C2)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (36) 
InChI=1S/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1

>  <SUBSTANCE_COMMENT>  (36) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (36) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (37) 
UALIB-1968

>  <SMILES_RDKIT_2019.09.2>  (37) 
CC1=CC(C)=CC(C(O)(C2=CC(C)=CC(C)=C2)[C@@H]2OC(C)(C)O[C@H]2C(O)(C2=CC(C)=CC(C)=C2)C2=CC(C)=CC(C)=C2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (37) 
InChI=1S/C39H46O4/c1-23-11-24(2)16-31(15-23)38(40,32-17-25(3)12-26(4)18-32)35-36(43-37(9,10)42-35)39(41,33-19-27(5)13-28(6)20-33)34-21-29(7)14-30(8)22-34/h11-22,35-36,40-41H,1-10H3/t35-,36-/m1/s1

>  <SUBSTANCE_COMMENT>  (37) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (37) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (38) 
UALIB-1969

>  <SMILES_RDKIT_2019.09.2>  (38) 
CC1(C)O[C@@H](C(O)(C2=CC=CC3=C2C=CC=C3)C2=CC=CC3=C2C=CC=C3)[C@H](C(O)(C2=CC=CC3=C2C=CC=C3)C2=CC=CC3=C2C=CC=C3)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (38) 
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>  <SUBSTANCE_COMMENT>  (38) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (38) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (39) 
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>  <SMILES_RDKIT_2019.09.2>  (39) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (39) 
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>  <SUBSTANCE_COMMENT>  (39) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (39) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

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>  <DATASOURCE_REGID>  (40) 
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>  <SMILES_RDKIT_2019.09.2>  (40) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (40) 
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>  <SUBSTANCE_COMMENT>  (40) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (40) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

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>  <DATASOURCE_REGID>  (41) 
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>  <SMILES_RDKIT_2019.09.2>  (41) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (41) 
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>  <SUBSTANCE_COMMENT>  (41) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (41) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

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>  <DATASOURCE_REGID>  (42) 
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>  <SMILES_RDKIT_2019.09.2>  (42) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (42) 
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>  <SUBSTANCE_COMMENT>  (42) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (42) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (43) 
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>  <SMILES_RDKIT_2019.09.2>  (43) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (43) 
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>  <SUBSTANCE_COMMENT>  (43) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (43) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

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>  <DATASOURCE_REGID>  (44) 
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>  <SMILES_RDKIT_2019.09.2>  (44) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (44) 
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>  <SUBSTANCE_COMMENT>  (44) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (44) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

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>  <DATASOURCE_REGID>  (45) 
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>  <SMILES_RDKIT_2019.09.2>  (45) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (45) 
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>  <SUBSTANCE_COMMENT>  (45) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (45) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (46) 
UALIB-1977

>  <SMILES_RDKIT_2019.09.2>  (46) 
C[Si](C)(C)C1=CC(Br)=CC(Br)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (46) 
InChI=1S/C9H12Br2Si/c1-12(2,3)9-5-7(10)4-8(11)6-9/h4-6H,1-3H3

>  <SUBSTANCE_COMMENT>  (46) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (46) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (47) 
UALIB-1978

>  <SMILES_RDKIT_2019.09.2>  (47) 
C[Si](C)(C)C1=CC(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (47) 
InChI=1S/C21H22Si/c1-22(2,3)21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3

>  <SUBSTANCE_COMMENT>  (47) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (47) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (48) 
UALIB-1979

>  <SMILES_RDKIT_2019.09.2>  (48) 
BrC1=CC(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (48) 
InChI=1S/C18H13Br/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H

>  <SUBSTANCE_COMMENT>  (48) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (48) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (49) 
UALIB-1980

>  <SMILES_RDKIT_2019.09.2>  (49) 
CC1(C)O[C@@H](C(O)(C2=CC(C3=CC=CC=C3)=CC(C3=CC=CC=C3)=C2)C2=CC(C3=CC=CC=C3)=CC(C3=CC=CC=C3)=C2)[C@H](C(O)(C2=CC(C3=CC=CC=C3)=CC(C3=CC=CC=C3)=C2)C2=CC(C3=CC=CC=C3)=CC(C3=CC=CC=C3)=C2)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (49) 
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>  <SUBSTANCE_COMMENT>  (49) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (49) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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M  END
>  <DATASOURCE_REGID>  (50) 
UALIB-1981

>  <SMILES_RDKIT_2019.09.2>  (50) 
CC(C)C1=CC([Si](C)(C)C)=CC(C(C)C)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (50) 
InChI=1S/C15H26Si/c1-11(2)13-8-14(12(3)4)10-15(9-13)16(5,6)7/h8-12H,1-7H3

>  <SUBSTANCE_COMMENT>  (50) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (50) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (51) 
UALIB-1982

>  <SMILES_RDKIT_2019.09.2>  (51) 
CC(C)C1=CC(C(C)C)=CC(Br)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (51) 
InChI=1S/C12H17Br/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9H,1-4H3

>  <SUBSTANCE_COMMENT>  (51) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (51) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (52) 
UALIB-1983

>  <SMILES_RDKIT_2019.09.2>  (52) 
CC1(C)O[C@@H](C(O)(C2CCCCC2)C2CCCCC2)[C@H](C(O)(C2CCCCC2)C2CCCCC2)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (52) 
InChI=1S/C31H54O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h23-28,32-33H,3-22H2,1-2H3/t27-,28-/m1/s1

>  <SUBSTANCE_COMMENT>  (52) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (52) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (53) 
UALIB-1984

>  <SMILES_RDKIT_2019.09.2>  (53) 
C=C(C)B(OCCCC)OCCCC

>  <INCHI_1.05_RDKIT_2019.09.2>  (53) 
InChI=1S/C11H23BO2/c1-5-7-9-13-12(11(3)4)14-10-8-6-2/h3,5-10H2,1-2,4H3

>  <SUBSTANCE_COMMENT>  (53) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (53) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (54) 
UALIB-1985

>  <SMILES_RDKIT_2019.09.2>  (54) 
CC1(C)C2CC1[C@]1(C)OB([C@@]3(C)CC(C4=CC=CC=C4)=NO3)O[C@@H]1C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (54) 
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>  <SUBSTANCE_COMMENT>  (54) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (54) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (55) 
UALIB-1986

>  <SMILES_RDKIT_2019.09.2>  (55) 
C1=CC=C(C2=NOC(C3=CC=CC=C3)C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (55) 
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>  <SUBSTANCE_COMMENT>  (55) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (55) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (56) 
UALIB-1987

>  <SMILES_RDKIT_2019.09.2>  (56) 
C=CB1N(C)CCN1C

>  <INCHI_1.05_RDKIT_2019.09.2>  (56) 
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>  <SUBSTANCE_COMMENT>  (56) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (56) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (57) 
UALIB-1988

>  <SMILES_RDKIT_2019.09.2>  (57) 
C=CB1N(C2=CC=CC=C2)CCN1C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (57) 
InChI=1S/C16H17BN2/c1-2-17-18(15-9-5-3-6-10-15)13-14-19(17)16-11-7-4-8-12-16/h2-12H,1,13-14H2

>  <SUBSTANCE_COMMENT>  (57) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (57) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (58) 
UALIB-1989

>  <SMILES_RDKIT_2019.09.2>  (58) 
C=CB1N(C(C)C)CCN1C(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (58) 
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>  <SUBSTANCE_COMMENT>  (58) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (58) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (59) 
UALIB-1990

>  <SMILES_RDKIT_2019.09.2>  (59) 
C=CB1OCCN1C

>  <INCHI_1.05_RDKIT_2019.09.2>  (59) 
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>  <SUBSTANCE_COMMENT>  (59) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (59) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (60) 
UALIB-1991

>  <SMILES_RDKIT_2019.09.2>  (60) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (60) 
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>  <SUBSTANCE_COMMENT>  (60) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (60) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (61) 
UALIB-1992

>  <SMILES_RDKIT_2019.09.2>  (61) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (61) 
InChI=1S/C5H11BN2/c1-2-6-7-4-3-5-8-6/h2,7-8H,1,3-5H2

>  <SUBSTANCE_COMMENT>  (61) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (61) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (62) 
UALIB-1993

>  <SMILES_RDKIT_2019.09.2>  (62) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (62) 
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>  <SUBSTANCE_COMMENT>  (62) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (62) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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>  <DATASOURCE_REGID>  (63) 
UALIB-1994

>  <SMILES_RDKIT_2019.09.2>  (63) 
CN1CCCN(C)B1C1CON=C1C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (63) 
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>  <SUBSTANCE_COMMENT>  (63) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (63) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$

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   -0.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  1
 11 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 10 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
  9 25  1  0
 25 26  2  0
 26 27  1  0
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 28 29  1  0
 29 30  2  0
 24 19  1  0
 30 25  1  0
M  END
>  <DATASOURCE_REGID>  (64) 
UALIB-1995

>  <SMILES_RDKIT_2019.09.2>  (64) 
O=S(=O)(N[C@@H](C1=CC=CC=C1)[C@@H](NS(=O)(=O)C(F)(F)F)C1=CC=CC=C1)C(F)(F)F

>  <INCHI_1.05_RDKIT_2019.09.2>  (64) 
InChI=1S/C16H14F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h1-10,13-14,23-24H/t13-,14-/m0/s1

>  <SUBSTANCE_COMMENT>  (64) 
Zong, K. The 1,3-dipolar cycloaddition of nitrile oxides to vinylboronic esters and asymmetric approaches. Ph.D. Thesis, The University of Alabama, 1995.

>  <SUBSTANCE_URL>  (64) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=851312

$$$$
