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>  <DATASOURCE_REGID>  (1) 
UALIB-2101

>  <SMILES_RDKIT_2019.09.2>  (1) 
CC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=CN=C3N)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C12H15N5O3/c1-7(18)19-4-8-2-3-9(20-8)17-6-16-10-11(13)14-5-15-12(10)17/h5-6,8-9H,2-4H2,1H3,(H2,13,14,15)/t8-,9+/m0/s1

>  <SUBSTANCE_COMMENT>  (1) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (1) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (2) 
UALIB-2102

>  <SMILES_RDKIT_2019.09.2>  (2) 
CCCC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=CN=C3N)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C14H19N5O3/c1-2-3-11(20)21-6-9-4-5-10(22-9)19-8-18-12-13(15)16-7-17-14(12)19/h7-10H,2-6H2,1H3,(H2,15,16,17)/t9-,10+/m0/s1

>  <SUBSTANCE_COMMENT>  (2) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (2) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (3) 
UALIB-2103

>  <SMILES_RDKIT_2019.09.2>  (3) 
CC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C12H14N4O4/c1-7(17)19-4-8-2-3-9(20-8)16-6-15-10-11(16)13-5-14-12(10)18/h5-6,8-9H,2-4H2,1H3,(H,13,14,18)/t8-,9+/m0/s1

>  <SUBSTANCE_COMMENT>  (3) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (3) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (4) 
UALIB-2104

>  <SMILES_RDKIT_2019.09.2>  (4) 
CCCC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (4) 
InChI=1S/C14H18N4O4/c1-2-3-11(19)21-6-9-4-5-10(22-9)18-8-17-12-13(18)15-7-16-14(12)20/h7-10H,2-6H2,1H3,(H,15,16,20)/t9-,10+/m0/s1

>  <SUBSTANCE_COMMENT>  (4) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (4) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (5) 
UALIB-2105

>  <SMILES_RDKIT_2019.09.2>  (5) 
CC(C)C(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (5) 
InChI=1S/C14H18N4O4/c1-8(2)14(20)21-5-9-3-4-10(22-9)18-7-17-11-12(18)15-6-16-13(11)19/h6-10H,3-5H2,1-2H3,(H,15,16,19)/t9-,10+/m0/s1

>  <SUBSTANCE_COMMENT>  (5) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (5) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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M  END
>  <DATASOURCE_REGID>  (6) 
UALIB-2106

>  <SMILES_RDKIT_2019.09.2>  (6) 
CC(C)(C)C(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (6) 
InChI=1S/C15H20N4O4/c1-15(2,3)14(21)22-6-9-4-5-10(23-9)19-8-18-11-12(19)16-7-17-13(11)20/h7-10H,4-6H2,1-3H3,(H,16,17,20)/t9-,10+/m0/s1

>  <SUBSTANCE_COMMENT>  (6) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (6) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (7) 
UALIB-2107

>  <SMILES_RDKIT_2019.09.2>  (7) 
CCCCC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (7) 
InChI=1S/C15H20N4O4/c1-2-3-4-12(20)22-7-10-5-6-11(23-10)19-9-18-13-14(19)16-8-17-15(13)21/h8-11H,2-7H2,1H3,(H,16,17,21)/t10-,11+/m0/s1

>  <SUBSTANCE_COMMENT>  (7) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (7) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (8) 
UALIB-2108

>  <SMILES_RDKIT_2019.09.2>  (8) 
CCCC(C)C(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (8) 
InChI=1S/C16H22N4O4/c1-3-4-10(2)16(22)23-7-11-5-6-12(24-11)20-9-19-13-14(20)17-8-18-15(13)21/h8-12H,3-7H2,1-2H3,(H,17,18,21)/t10?,11-,12+/m0/s1

>  <SUBSTANCE_COMMENT>  (8) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (8) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (9) 
UALIB-2109

>  <SMILES_RDKIT_2019.09.2>  (9) 
O=C(OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1)C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (9) 
InChI=1S/C17H16N4O4/c22-16-14-15(18-9-19-16)21(10-20-14)13-7-6-12(25-13)8-24-17(23)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,18,19,22)/t12-,13+/m0/s1

>  <SUBSTANCE_COMMENT>  (9) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (9) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (10) 
UALIB-2110

>  <SMILES_RDKIT_2019.09.2>  (10) 
CC1=CC=CC=C1C(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (10) 
InChI=1S/C18H18N4O4/c1-11-4-2-3-5-13(11)18(24)25-8-12-6-7-14(26-12)22-10-21-15-16(22)19-9-20-17(15)23/h2-5,9-10,12,14H,6-8H2,1H3,(H,19,20,23)/t12-,14+/m0/s1

>  <SUBSTANCE_COMMENT>  (10) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (10) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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>  <DATASOURCE_REGID>  (11) 
UALIB-2111

>  <SMILES_RDKIT_2019.09.2>  (11) 
CCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)OC[C@@H]2CC[C@H](N3C=NC4=C3N=C[NH]C4=O)O2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (11) 
InChI=1S/C23H29N5O6S/c1-3-11-27(12-4-2)35(31,32)18-8-5-16(6-9-18)23(30)33-13-17-7-10-19(34-17)28-15-26-20-21(28)24-14-25-22(20)29/h5-6,8-9,14-15,17,19H,3-4,7,10-13H2,1-2H3,(H,24,25,29)/t17-,19+/m0/s1

>  <SUBSTANCE_COMMENT>  (11) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (11) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (12) 
UALIB-2112

>  <SMILES_RDKIT_2019.09.2>  (12) 
CCC(C)(C)C(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (12) 
InChI=1S/C16H22N4O4/c1-4-16(2,3)15(22)23-7-10-5-6-11(24-10)20-9-19-12-13(20)17-8-18-14(12)21/h8-11H,4-7H2,1-3H3,(H,17,18,21)/t10-,11+/m0/s1

>  <SUBSTANCE_COMMENT>  (12) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (12) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (13) 
UALIB-2113

>  <SMILES_RDKIT_2019.09.2>  (13) 
CC(C)CC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1.CCCCC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (13) 
InChI=1S/2C15H20N4O4/c1-9(2)5-12(20)22-6-10-3-4-11(23-10)19-8-18-13-14(19)16-7-17-15(13)21;1-2-3-4-12(20)22-7-10-5-6-11(23-10)19-9-18-13-14(19)16-8-17-15(13)21/h7-11H,3-6H2,1-2H3,(H,16,17,21);8-11H,2-7H2,1H3,(H,16,17,21)/t2*10-,11+/m00/s1

>  <SUBSTANCE_COMMENT>  (13) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (13) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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>  <DATASOURCE_REGID>  (14) 
UALIB-2114

>  <SMILES_RDKIT_2019.09.2>  (14) 
CCCCN(CCCC)C(CC)C(=O)OCC

>  <INCHI_1.05_RDKIT_2019.09.2>  (14) 
InChI=1S/C14H29NO2/c1-5-9-11-15(12-10-6-2)13(7-3)14(16)17-8-4/h13H,5-12H2,1-4H3

>  <SUBSTANCE_COMMENT>  (14) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (14) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (15) 
UALIB-2115

>  <SMILES_RDKIT_2019.09.2>  (15) 
CCCCN(CCCC)C(C(=O)OCC)C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (15) 
InChI=1S/C18H29NO2/c1-4-7-14-19(15-8-5-2)17(18(20)21-6-3)16-12-10-9-11-13-16/h9-13,17H,4-8,14-15H2,1-3H3

>  <SUBSTANCE_COMMENT>  (15) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (15) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
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 14  9  1  0
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M  END
>  <DATASOURCE_REGID>  (16) 
UALIB-2116

>  <SMILES_RDKIT_2019.09.2>  (16) 
CCOC(=O)CN(CC1=CC=CC=C1)CC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (16) 
InChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3

>  <SUBSTANCE_COMMENT>  (16) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (16) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  1  0
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  6 14  1  0
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  5 21  1  0
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 25 26  2  0
 13  8  1  0
 20 15  1  0
 26 21  1  0
M  END
>  <DATASOURCE_REGID>  (17) 
UALIB-2117

>  <SMILES_RDKIT_2019.09.2>  (17) 
COC(=O)C(C1=CC=CC=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (17) 
InChI=1S/C23H23NO2/c1-26-23(25)22(21-15-9-4-10-16-21)24(17-19-11-5-2-6-12-19)18-20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3

>  <SUBSTANCE_COMMENT>  (17) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (17) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  2  0
M  END
>  <DATASOURCE_REGID>  (18) 
UALIB-2118

>  <SMILES_RDKIT_2019.09.2>  (18) 
CCCCN(CCCC)C(CC)C(=O)O

>  <INCHI_1.05_RDKIT_2019.09.2>  (18) 
InChI=1S/C12H25NO2/c1-4-7-9-13(10-8-5-2)11(6-3)12(14)15/h11H,4-10H2,1-3H3,(H,14,15)

>  <SUBSTANCE_COMMENT>  (18) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (18) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <DATASOURCE_REGID>  (19) 
UALIB-2119

>  <SMILES_RDKIT_2019.09.2>  (19) 
CCCCN(CCCC)C(C(=O)O)C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (19) 
InChI=1S/C16H25NO2/c1-3-5-12-17(13-6-4-2)15(16(18)19)14-10-8-7-9-11-14/h7-11,15H,3-6,12-13H2,1-2H3,(H,18,19)

>  <SUBSTANCE_COMMENT>  (19) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (19) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
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M  END
>  <DATASOURCE_REGID>  (20) 
UALIB-2120

>  <SMILES_RDKIT_2019.09.2>  (20) 
O=C(O)CN(CC1=CC=CC=C1)CC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (20) 
InChI=1S/C16H17NO2/c18-16(19)13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)

>  <SUBSTANCE_COMMENT>  (20) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (20) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (21) 
UALIB-2121

>  <SMILES_RDKIT_2019.09.2>  (21) 
O=C(O)C(C1=CC=CC=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (21) 
InChI=1S/C22H21NO2/c24-22(25)21(20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,25)

>  <SUBSTANCE_COMMENT>  (21) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (21) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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>  <DATASOURCE_REGID>  (22) 
UALIB-2122

>  <SMILES_RDKIT_2019.09.2>  (22) 
CCCCN(CCCC)C(CC)C(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (22) 
InChI=1S/C22H35N5O4/c1-4-7-11-26(12-8-5-2)17(6-3)22(29)30-13-16-9-10-18(31-16)27-15-25-19-20(27)23-14-24-21(19)28/h14-18H,4-13H2,1-3H3,(H,23,24,28)/t16-,17?,18+/m0/s1

>  <SUBSTANCE_COMMENT>  (22) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (22) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (23) 
UALIB-2123

>  <SMILES_RDKIT_2019.09.2>  (23) 
CCCCN(CCCC)C(C(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1)C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (23) 
InChI=1S/C26H35N5O4/c1-3-5-14-30(15-6-4-2)23(19-10-8-7-9-11-19)26(33)34-16-20-12-13-21(35-20)31-18-29-22-24(31)27-17-28-25(22)32/h7-11,17-18,20-21,23H,3-6,12-16H2,1-2H3,(H,27,28,32)/t20-,21+,23?/m0/s1

>  <SUBSTANCE_COMMENT>  (23) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (23) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (24) 
UALIB-2124

>  <SMILES_RDKIT_2019.09.2>  (24) 
O=C(CN(CC1=CC=CC=C1)CC1=CC=CC=C1)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (24) 
InChI=1S/C26H27N5O4/c32-23(15-30(13-19-7-3-1-4-8-19)14-20-9-5-2-6-10-20)34-16-21-11-12-22(35-21)31-18-29-24-25(31)27-17-28-26(24)33/h1-10,17-18,21-22H,11-16H2,(H,27,28,33)/t21-,22+/m0/s1

>  <SUBSTANCE_COMMENT>  (24) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (24) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (25) 
UALIB-2125

>  <SMILES_RDKIT_2019.09.2>  (25) 
CCOC(=O)OC[C@@H]1C=C[C@H](N2C=C(C)C(=O)[NH]C2=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (25) 
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>  <SUBSTANCE_COMMENT>  (25) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (25) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (26) 
UALIB-2126

>  <SMILES_RDKIT_2019.09.2>  (26) 
CCCCNC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (26) 
InChI=1S/C15H21N5O4/c1-2-3-6-16-15(22)23-7-10-4-5-11(24-10)20-9-19-12-13(20)17-8-18-14(12)21/h8-11H,2-7H2,1H3,(H,16,22)(H,17,18,21)/t10-,11+/m0/s1

>  <SUBSTANCE_COMMENT>  (26) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (26) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (27) 
UALIB-2127

>  <SMILES_RDKIT_2019.09.2>  (27) 
CCCCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1)OC(=O)CCCCCCCCCCCCCCCCC

>  <INCHI_1.05_RDKIT_2019.09.2>  (27) 
InChI=1S/C50H87N5O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(56)60-39-43(63-46(57)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-51-50(59)61-38-42-35-36-44(62-42)55-41-54-47-48(55)52-40-53-49(47)58/h40-44H,3-39H2,1-2H3,(H,51,59)(H,52,53,58)/t42-,43?,44+/m0/s1

>  <SUBSTANCE_COMMENT>  (27) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (27) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (28) 
UALIB-2128

>  <SMILES_RDKIT_2019.09.2>  (28) 
NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COC(=O)C2=CN=CC=C2)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (28) 
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>  <SUBSTANCE_COMMENT>  (28) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (28) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (29) 
UALIB-2129

>  <SMILES_RDKIT_2019.09.2>  (29) 
O=CNC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](COC(=O)C2=CN=CC=C2)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (29) 
InChI=1S/C17H16N6O4/c24-10-22-15-14-16(20-8-19-15)23(9-21-14)13-4-3-12(27-13)7-26-17(25)11-2-1-5-18-6-11/h1-2,5-6,8-10,12-13H,3-4,7H2,(H,19,20,22,24)/t12-,13+/m0/s1

>  <SUBSTANCE_COMMENT>  (29) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (29) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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 10  5  1  0
 29 14  1  0
 13  9  1  0
 28 22  1  0
M  CHG  2   1  -1  26   1
M  END
>  <DATASOURCE_REGID>  (30) 
UALIB-2130

>  <SMILES_RDKIT_2019.09.2>  (30) 
C[N+]1=CC(C(=O)OC[C@@H]2CC[C@H](N3C=NC4=C3N=CN=C4NC=O)O2)=CC=C1.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (30) 
InChI=1S/C18H18N6O4.HI/c1-23-6-2-3-12(7-23)18(26)27-8-13-4-5-14(28-13)24-10-21-15-16(22-11-25)19-9-20-17(15)24;/h2-3,6-7,9-11,13-14H,4-5,8H2,1H3;1H/t13-,14+;/m0./s1

>  <SUBSTANCE_COMMENT>  (30) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (30) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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M  CHG  2   1  -1   3   1
M  END
>  <DATASOURCE_REGID>  (31) 
UALIB-2131

>  <SMILES_RDKIT_2019.09.2>  (31) 
C[N+]1=CC(C(=O)OC[C@@H]2CC[C@H](N3C=NC4=C3N=CN=C4N)O2)=CC=C1.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (31) 
InChI=1S/C17H19N6O3.HI/c1-22-6-2-3-11(7-22)17(24)25-8-12-4-5-13(26-12)23-10-21-14-15(18)19-9-20-16(14)23;/h2-3,6-7,9-10,12-13H,4-5,8H2,1H3,(H2,18,19,20);1H/q+1;/p-1/t12-,13+;/m0./s1

>  <SUBSTANCE_COMMENT>  (31) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (31) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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M  END
>  <DATASOURCE_REGID>  (32) 
UALIB-2132

>  <SMILES_RDKIT_2019.09.2>  (32) 
CN1C=CCC(C(=O)OC[C@@H]2CC[C@H](N3C=NC4=C3N=CN=C4N)O2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (32) 
InChI=1S/C17H20N6O3/c1-22-6-2-3-11(7-22)17(24)25-8-12-4-5-13(26-12)23-10-21-14-15(18)19-9-20-16(14)23/h2,6-7,9-10,12-13H,3-5,8H2,1H3,(H2,18,19,20)/t12-,13+/m0/s1

>  <SUBSTANCE_COMMENT>  (32) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (32) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (33) 
UALIB-2133

>  <SMILES_RDKIT_2019.09.2>  (33) 
O=C(OC[C@@H]1CC[C@H](N2C=NC3=C2N=C[NH]C3=O)O1)C1=CC=CN=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (33) 
InChI=1S/C16H15N5O4/c22-15-13-14(18-8-19-15)21(9-20-13)12-4-3-11(25-12)7-24-16(23)10-2-1-5-17-6-10/h1-2,5-6,8-9,11-12H,3-4,7H2,(H,18,19,22)/t11-,12+/m0/s1

>  <SUBSTANCE_COMMENT>  (33) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (33) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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M  CHG  2   1  -1   3   1
M  END
>  <DATASOURCE_REGID>  (34) 
UALIB-2134

>  <SMILES_RDKIT_2019.09.2>  (34) 
C[N+]1=CC(C(=O)OC[C@@H]2CC[C@H](N3C=NC4=C3N=C[NH]C4=O)O2)=CC=C1.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (34) 
InChI=1S/C17H17N5O4.HI/c1-21-6-2-3-11(7-21)17(24)25-8-12-4-5-13(26-12)22-10-20-14-15(22)18-9-19-16(14)23;/h2-3,6-7,9-10,12-13H,4-5,8H2,1H3;1H/t12-,13+;/m0./s1

>  <SUBSTANCE_COMMENT>  (34) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (34) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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 16 12  1  0
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M  END
>  <DATASOURCE_REGID>  (35) 
UALIB-2135

>  <SMILES_RDKIT_2019.09.2>  (35) 
CN1C=CCC(C(=O)OC[C@@H]2CC[C@H](N3C=NC4=C3N=C[NH]C4=O)O2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (35) 
InChI=1S/C17H19N5O4/c1-21-6-2-3-11(7-21)17(24)25-8-12-4-5-13(26-12)22-10-20-14-15(22)18-9-19-16(14)23/h2,6-7,9-10,12-13H,3-5,8H2,1H3,(H,18,19,23)/t12-,13+/m0/s1

>  <SUBSTANCE_COMMENT>  (35) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (35) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (36) 
UALIB-2136

>  <SMILES_RDKIT_2019.09.2>  (36) 
COC(=O)C1=CC=CN=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (36) 
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3

>  <SUBSTANCE_COMMENT>  (36) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (36) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   1  -1  10   1
M  END
>  <DATASOURCE_REGID>  (37) 
UALIB-2137

>  <SMILES_RDKIT_2019.09.2>  (37) 
COC(=O)C1=CC=C[N+](C)=C1.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (37) 
InChI=1S/C8H10NO2.HI/c1-9-5-3-4-7(6-9)8(10)11-2;/h3-6H,1-2H3;1H/q+1;/p-1

>  <SUBSTANCE_COMMENT>  (37) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (37) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <DATASOURCE_REGID>  (38) 
UALIB-2138

>  <SMILES_RDKIT_2019.09.2>  (38) 
COC(=O)C1=CN(C)C=CC1

>  <INCHI_1.05_RDKIT_2019.09.2>  (38) 
InChI=1S/C8H11NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3,5-6H,4H2,1-2H3

>  <SUBSTANCE_COMMENT>  (38) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (38) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <DATASOURCE_REGID>  (39) 
UALIB-2139

>  <SMILES_RDKIT_2019.09.2>  (39) 
CC(C)OC(=O)C1=CC=CN=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (39) 
InChI=1S/C9H11NO2/c1-7(2)12-9(11)8-4-3-5-10-6-8/h3-7H,1-2H3

>  <SUBSTANCE_COMMENT>  (39) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (39) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   1  -1  12   1
M  END
>  <DATASOURCE_REGID>  (40) 
UALIB-2140

>  <SMILES_RDKIT_2019.09.2>  (40) 
CC(C)OC(=O)C1=CC=C[N+](C)=C1.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (40) 
InChI=1S/C10H14NO2.HI/c1-8(2)13-10(12)9-5-4-6-11(3)7-9;/h4-8H,1-3H3;1H/q+1;/p-1

>  <SUBSTANCE_COMMENT>  (40) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (40) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (41) 
UALIB-2141

>  <SMILES_RDKIT_2019.09.2>  (41) 
CC(C)OC(=O)C1=CN(C)C=CC1

>  <INCHI_1.05_RDKIT_2019.09.2>  (41) 
InChI=1S/C10H15NO2/c1-8(2)13-10(12)9-5-4-6-11(3)7-9/h4,6-8H,5H2,1-3H3

>  <SUBSTANCE_COMMENT>  (41) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (41) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
>  <DATASOURCE_REGID>  (42) 
UALIB-2142

>  <SMILES_RDKIT_2019.09.2>  (42) 
COC(=O)C1=CC=C(C)N=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (42) 
InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3

>  <SUBSTANCE_COMMENT>  (42) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (42) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    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  4  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 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  CHG  2   1  -1  11   1
M  END
>  <DATASOURCE_REGID>  (43) 
UALIB-2143

>  <SMILES_RDKIT_2019.09.2>  (43) 
COC(=O)C1=CC=C(C)[N+](C)=C1.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (43) 
InChI=1S/C9H12NO2.HI/c1-7-4-5-8(6-10(7)2)9(11)12-3;/h4-6H,1-3H3;1H/q+1;/p-1

>  <SUBSTANCE_COMMENT>  (43) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (43) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    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
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12  5  1  0
M  END
>  <DATASOURCE_REGID>  (44) 
UALIB-2144

>  <SMILES_RDKIT_2019.09.2>  (44) 
COC(=O)C1=CN(C)C(C)=CC1

>  <INCHI_1.05_RDKIT_2019.09.2>  (44) 
InChI=1S/C9H13NO2/c1-7-4-5-8(6-10(7)2)9(11)12-3/h4,6H,5H2,1-3H3

>  <SUBSTANCE_COMMENT>  (44) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (44) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    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
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  4  8  1  0
  8  9  1  0
  8 10  2  0
  7  2  1  0
M  CHG  2   2   1   9  -1
M  END
>  <DATASOURCE_REGID>  (45) 
UALIB-2145

>  <SMILES_RDKIT_2019.09.2>  (45) 
C[N+]1=CC(C(=O)[O-])=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (45) 
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3

>  <SUBSTANCE_COMMENT>  (45) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (45) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    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
    3.0000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 O   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
  1  2  1  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  8  1  1  0
M  ISO  1   2   2
M  END
>  <DATASOURCE_REGID>  (46) 
UALIB-2146

>  <SMILES_RDKIT_2019.09.2>  (46) 
[2H]C1C=CN(C)C=C1C(=O)OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (46) 
InChI=1S/C8H11NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3,5-6H,4H2,1-2H3/i4D

>  <SUBSTANCE_COMMENT>  (46) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (46) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2990    0.0000 Cl  0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    3.2990    0.0000 I   0  0  0  0  0 15  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
    3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    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  4  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
   -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
   -7.5000   -2.5981    0.0000 Cl  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
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   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  9 18  2  0
 18 19  1  0
 19 20  2  0
 20  7  1  0
 17 11  1  0
M  CHG  3   1  -1   2  -1   9   1
M  END
>  <DATASOURCE_REGID>  (47) 
UALIB-2147

>  <SMILES_RDKIT_2019.09.2>  (47) 
COC(=O)C1=C[N+](CC2=CC=C(Cl)C=C2)=CC=C1.[Cl-].[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (47) 
InChI=1S/C14H13ClNO2.ClH.HI/c1-18-14(17)12-3-2-8-16(10-12)9-11-4-6-13(15)7-5-11;;/h2-8,10H,9H2,1H3;2*1H/q+1;;/p-2

>  <SUBSTANCE_COMMENT>  (47) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (47) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -1.2990    0.0000 N   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
   -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
   -7.5000   -2.5981    0.0000 Cl  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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  7 16  1  0
 16 17  2  0
 17 18  1  0
 18  5  1  0
 15  9  1  0
M  END
>  <DATASOURCE_REGID>  (48) 
UALIB-2148

>  <SMILES_RDKIT_2019.09.2>  (48) 
COC(=O)C1=CN(CC2=CC=C(Cl)C=C2)C=CC1

>  <INCHI_1.05_RDKIT_2019.09.2>  (48) 
InChI=1S/C14H14ClNO2/c1-18-14(17)12-3-2-8-16(10-12)9-11-4-6-13(15)7-5-11/h2,4-8,10H,3,9H2,1H3

>  <SUBSTANCE_COMMENT>  (48) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (48) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  7 16  1  0
 16 17  1  0
 17 18  2  0
 18  5  1  0
 15  9  1  0
M  END
>  <DATASOURCE_REGID>  (49) 
UALIB-2149

>  <SMILES_RDKIT_2019.09.2>  (49) 
COC(=O)C1=CN(CC2=CC=C(Cl)C=C2)CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (49) 
InChI=1S/C14H14ClNO2/c1-18-14(17)12-3-2-8-16(10-12)9-11-4-6-13(15)7-5-11/h2-7,10H,8-9H2,1H3

>  <SUBSTANCE_COMMENT>  (49) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (49) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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>  <DATASOURCE_REGID>  (50) 
UALIB-2150

>  <SMILES_RDKIT_2019.09.2>  (50) 
COC(=O)CCNC(=O)C1=CC=CN=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (50) 
InChI=1S/C10H12N2O3/c1-15-9(13)4-6-12-10(14)8-3-2-5-11-7-8/h2-3,5,7H,4,6H2,1H3,(H,12,14)

>  <SUBSTANCE_COMMENT>  (50) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (50) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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M  CHG  2   1  -1  14   1
M  END
>  <DATASOURCE_REGID>  (51) 
UALIB-2151

>  <SMILES_RDKIT_2019.09.2>  (51) 
O=C(O)CCNC(=O)C1=CC=C[NH+]=C1.[Cl-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (51) 
InChI=1S/C9H10N2O3.ClH/c12-8(13)3-5-11-9(14)7-2-1-4-10-6-7;/h1-2,4,6H,3,5H2,(H,11,14)(H,12,13);1H

>  <SUBSTANCE_COMMENT>  (51) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (51) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (52) 
UALIB-2152

>  <SMILES_RDKIT_2019.09.2>  (52) 
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(=O)CCNC(=O)C2=CN=CC=C2)O[C@H]1N1C=NC2=C1N=CN=C2N

>  <INCHI_1.05_RDKIT_2019.09.2>  (52) 
InChI=1S/C23H25N7O8/c1-12(31)36-18-15(9-35-16(33)5-7-26-22(34)14-4-3-6-25-8-14)38-23(19(18)37-13(2)32)30-11-29-17-20(24)27-10-28-21(17)30/h3-4,6,8,10-11,15,18-19,23H,5,7,9H2,1-2H3,(H,26,34)(H2,24,27,28)/t15-,18-,19+,23-/m1/s1

>  <SUBSTANCE_COMMENT>  (52) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (52) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (53) 
UALIB-2153

>  <SMILES_RDKIT_2019.09.2>  (53) 
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(=O)CCNC(=O)C2=CN=CC=C2)O[C@H]1N1C=NC2=C1N=CN=C2NC=O

>  <INCHI_1.05_RDKIT_2019.09.2>  (53) 
InChI=1S/C24H25N7O9/c1-13(33)38-19-16(9-37-17(35)5-7-26-23(36)15-4-3-6-25-8-15)40-24(20(19)39-14(2)34)31-11-29-18-21(30-12-32)27-10-28-22(18)31/h3-4,6,8,10-12,16,19-20,24H,5,7,9H2,1-2H3,(H,26,36)(H,27,28,30,32)/t16-,19-,20+,24-/m1/s1

>  <SUBSTANCE_COMMENT>  (53) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (53) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (54) 
UALIB-2154

>  <SMILES_RDKIT_2019.09.2>  (54) 
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(=O)CCNC(=O)C2=C[N+](C)=CC=C2)O[C@H]1N1C=NC2=C1N=CN=C2NC=O.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (54) 
InChI=1S/C25H27N7O9.HI/c1-14(34)39-20-17(10-38-18(36)6-7-26-24(37)16-5-4-8-31(3)9-16)41-25(21(20)40-15(2)35)32-12-29-19-22(30-13-33)27-11-28-23(19)32;/h4-5,8-9,11-13,17,20-21,25H,6-7,10H2,1-3H3,(H-,26,27,28,30,33,37);1H/t17-,20-,21+,25-;/m1./s1

>  <SUBSTANCE_COMMENT>  (54) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (54) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (55) 
UALIB-2155

>  <SMILES_RDKIT_2019.09.2>  (55) 
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(=O)CCNC(=O)C2=C[N+](C)=CC=C2)O[C@H]1N1C=NC2=C1N=CN=C2N.[I-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (55) 
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>  <SUBSTANCE_COMMENT>  (55) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (55) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$

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>  <DATASOURCE_REGID>  (56) 
UALIB-2156

>  <SMILES_RDKIT_2019.09.2>  (56) 
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(=O)CCNC(=O)C2=CN(C)C=CC2)O[C@H]1N1C=NC2=C1N=CN=C2N

>  <INCHI_1.05_RDKIT_2019.09.2>  (56) 
InChI=1S/C24H29N7O8/c1-13(32)37-19-16(10-36-17(34)6-7-26-23(35)15-5-4-8-30(3)9-15)39-24(20(19)38-14(2)33)31-12-29-18-21(25)27-11-28-22(18)31/h4,8-9,11-12,16,19-20,24H,5-7,10H2,1-3H3,(H,26,35)(H2,25,27,28)/t16-,19-,20+,24-/m1/s1

>  <SUBSTANCE_COMMENT>  (56) 
Yan, S. Chemistry of anti-aids and anticancer compounds. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (56) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=761592

$$$$
