
     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.1962    0.0000 O   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
    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 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
    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 O   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
   -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 O   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
   -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 O   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
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    5.1962    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  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
  3 19  1  0
 19 20  1  0
 18  7  1  0
M  END
>  <DATASOURCE_REGID>  (1) 
UALIB-1999

>  <SMILES_RDKIT_2019.09.2>  (1) 
COC1=C(OC)C(OC)=CC(/C=N\CC(OC)OC)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C14H21NO5/c1-16-11-6-10(7-12(17-2)14(11)20-5)8-15-9-13(18-3)19-4/h6-8,13H,9H2,1-5H3/b15-8-

>  <SUBSTANCE_COMMENT>  (1) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (1) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 O   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   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    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
    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 O   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
   -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 O   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
   -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 O   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
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -5.1962    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  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
  3 19  1  0
 19 20  1  0
 18  7  1  0
M  END
>  <DATASOURCE_REGID>  (2) 
UALIB-2000

>  <SMILES_RDKIT_2019.09.2>  (2) 
COC1=C(OC)C(OC)=CC(CNCC(OC)OC)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C14H23NO5/c1-16-11-6-10(7-12(17-2)14(11)20-5)8-15-9-13(18-3)19-4/h6-7,13,15H,8-9H2,1-5H3

>  <SUBSTANCE_COMMENT>  (2) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (2) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.7500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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 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 N   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
    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
    3.7500   -3.8971    0.0000 C   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   -5.1962    0.0000 O   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
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 16 17  1  0
 15  4  1  0
 11  6  1  0
M  END
>  <DATASOURCE_REGID>  (3) 
UALIB-2001

>  <SMILES_RDKIT_2019.09.2>  (3) 
COC1=CC2=C(CCNC2)C(OC)=C1OC.Cl

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C12H17NO3.ClH/c1-14-10-6-8-7-13-5-4-9(8)11(15-2)12(10)16-3;/h6,13H,4-5,7H2,1-3H3;1H

>  <SUBSTANCE_COMMENT>  (3) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (3) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.7500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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
   -3.0000   -2.5981    0.0000 Br  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
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    3.7500   -3.8971    0.0000 C   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   -5.1962    0.0000 O   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
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  8 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  1  0
 16  4  1  0
 12  7  1  0
M  END
>  <DATASOURCE_REGID>  (4) 
UALIB-2002

>  <SMILES_RDKIT_2019.09.2>  (4) 
COC1=C(Br)C2=C(CCNC2)C(OC)=C1OC.Cl

>  <INCHI_1.05_RDKIT_2019.09.2>  (4) 
InChI=1S/C12H16BrNO3.ClH/c1-15-10-7-4-5-14-6-8(7)9(13)11(16-2)12(10)17-3;/h14H,4-6H2,1-3H3;1H

>  <SUBSTANCE_COMMENT>  (4) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (4) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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
   -3.0000   -2.5981    0.0000 Br  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
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    3.7500   -3.8971    0.0000 C   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   -5.1962    0.0000 O   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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
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  9 10  1  0
 10 11  2  0
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 13 14  1  0
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 16 17  1  0
 15  3  1  0
 11  6  1  0
M  END
>  <DATASOURCE_REGID>  (5) 
UALIB-2003

>  <SMILES_RDKIT_2019.09.2>  (5) 
COC1=C(Br)C2=C(CCN=C2)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (5) 
InChI=1S/C12H14BrNO3/c1-15-10-7-4-5-14-6-8(7)9(13)11(16-2)12(10)17-3/h6H,4-5H2,1-3H3

>  <SUBSTANCE_COMMENT>  (5) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (5) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.2010   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990   -1.8481    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   -1.2990    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.0490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    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
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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 Br  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
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  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
 15  9  1  0
M  END
>  <DATASOURCE_REGID>  (6) 
UALIB-2004

>  <SMILES_RDKIT_2019.09.2>  (6) 
CC(C)(C)[Si](C)(C)OC1=CC=C(Br)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (6) 
InChI=1S/C12H19BrOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,1-5H3

>  <SUBSTANCE_COMMENT>  (6) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (6) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.2010   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990   -1.8481    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   -1.2990    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.0490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    0.0000    0.0000 B   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
   -3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
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  9 10  2  0
 10 11  1  0
 11 12  2  0
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 13 14  2  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (7) 
UALIB-2005

>  <SMILES_RDKIT_2019.09.2>  (7) 
CC(C)(C)[Si](C)(C)OC1=CC=C(B(O)O)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (7) 
InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3

>  <SUBSTANCE_COMMENT>  (7) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (7) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 Br  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
   -1.5000    2.5981    0.0000 O   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 11  3  1  0
M  END
>  <DATASOURCE_REGID>  (8) 
UALIB-2006

>  <SMILES_RDKIT_2019.09.2>  (8) 
COC1=CC(Br)=CC(OC)=C1O

>  <INCHI_1.05_RDKIT_2019.09.2>  (8) 
InChI=1S/C8H9BrO3/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,10H,1-2H3

>  <SUBSTANCE_COMMENT>  (8) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (8) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 Br  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
   -1.5000    2.5981    0.0000 O   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.0000    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.0981    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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 11  3  1  0
M  END
>  <DATASOURCE_REGID>  (9) 
UALIB-2007

>  <SMILES_RDKIT_2019.09.2>  (9) 
COC1=CC(Br)=CC(OC)=C1O[Si](C)(C)C(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (9) 
InChI=1S/C14H23BrO3Si/c1-14(2,3)19(6,7)18-13-11(16-4)8-10(15)9-12(13)17-5/h8-9H,1-7H3

>  <SUBSTANCE_COMMENT>  (9) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (9) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    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 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
   -1.5000    2.5981    0.0000 O   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.0000    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.0981    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
   -1.5000   -2.5981    0.0000 B   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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  5 19  1  0
 19 20  1  0
 19 21  1  0
 10  3  1  0
M  END
>  <DATASOURCE_REGID>  (10) 
UALIB-2008

>  <SMILES_RDKIT_2019.09.2>  (10) 
COC1=CC(B(O)O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (10) 
InChI=1S/C14H25BO5Si/c1-14(2,3)21(6,7)20-13-11(18-4)8-10(15(16)17)9-12(13)19-5/h8-9,16-17H,1-7H3

>  <SUBSTANCE_COMMENT>  (10) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (10) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7500   -3.8971    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
    1.5000   -2.5981    0.0000 C   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   -5.1962    0.0000 O   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
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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   -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
   -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
   -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 N   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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 10 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 18  3  1  0
 16 11  1  0
 22 17  1  0
M  END
>  <DATASOURCE_REGID>  (11) 
UALIB-2009

>  <SMILES_RDKIT_2019.09.2>  (11) 
COC1=C(OC)C(OC)=C(C2=CC=CC=C2)C2=C1CCN=C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (11) 
InChI=1S/C18H19NO3/c1-20-16-13-9-10-19-11-14(13)15(12-7-5-4-6-8-12)17(21-2)18(16)22-3/h4-8,11H,9-10H2,1-3H3

>  <SUBSTANCE_COMMENT>  (11) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (11) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.7500   -3.8971    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
    1.5000   -2.5981    0.0000 C   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   -5.1962    0.0000 O   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
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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   -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
   -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
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    0.7500    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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   -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 O   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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 10 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 18  3  1  0
 16 11  1  0
 22 17  1  0
M  END
>  <DATASOURCE_REGID>  (12) 
UALIB-2010

>  <SMILES_RDKIT_2019.09.2>  (12) 
COC1=C(OC)C(OC)=C(C2=CC=CC=C2)C2=C1CCNC2CC(=O)O

>  <INCHI_1.05_RDKIT_2019.09.2>  (12) 
InChI=1S/C20H23NO5/c1-24-18-13-9-10-21-14(11-15(22)23)17(13)16(12-7-5-4-6-8-12)19(25-2)20(18)26-3/h4-8,14,21H,9-11H2,1-3H3,(H,22,23)

>  <SUBSTANCE_COMMENT>  (12) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (12) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.7500   -3.8971    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
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -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
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   -7.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -1.2990    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -9.5490   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0000    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
    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 N   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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 14 23  1  0
 23 24  2  0
 10 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 26  3  1  0
 24 11  1  0
 30 25  1  0
M  END
>  <DATASOURCE_REGID>  (13) 
UALIB-2011

>  <SMILES_RDKIT_2019.09.2>  (13) 
COC1=C(OC)C(OC)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C2=C1CCN=C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (13) 
InChI=1S/C24H33NO4Si/c1-24(2,3)30(7,8)29-17-11-9-16(10-12-17)20-19-15-25-14-13-18(19)21(26-4)23(28-6)22(20)27-5/h9-12,15H,13-14H2,1-8H3

>  <SUBSTANCE_COMMENT>  (13) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (13) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 34 36  0  0  0  0  0  0  0  0999 V2000
    5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -5.1962    0.0000 O   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
    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    9.5490   -3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9510   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7010   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2990   -4.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -6.4952    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   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 O   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
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    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
   -3.7500   -3.8971    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
    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
   -1.5000    0.0000    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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  5 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  2  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 10  3  1  0
 30 19  1  0
 34 29  1  0
M  END
>  <DATASOURCE_REGID>  (14) 
UALIB-2012

>  <SMILES_RDKIT_2019.09.2>  (14) 
COC1=CC(C2=C(OC)C(OC)=C(OC)C3=C2C=NCC3)=CC(OC)=C1O[Si](C)(C)C(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (14) 
InChI=1S/C26H37NO6Si/c1-26(2,3)34(9,10)33-23-19(28-4)13-16(14-20(23)29-5)21-18-15-27-12-11-17(18)22(30-6)25(32-8)24(21)31-7/h13-15H,11-12H2,1-10H3

>  <SUBSTANCE_COMMENT>  (14) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (14) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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
   -3.0000   -2.5981    0.0000 Br  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
    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    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
   -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 O   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
    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
    3.7500   -3.8971    0.0000 C   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   -5.1962    0.0000 O   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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  1  0
 19  3  1  0
 11  6  1  0
M  END
>  <DATASOURCE_REGID>  (15) 
UALIB-2013

>  <SMILES_RDKIT_2019.09.2>  (15) 
COC1=C(Br)C2=C(CCNC2CC(=O)O)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (15) 
InChI=1S/C14H18BrNO5/c1-19-12-7-4-5-16-8(6-9(17)18)10(7)11(15)13(20-2)14(12)21-3/h8,16H,4-6H2,1-3H3,(H,17,18)

>  <SUBSTANCE_COMMENT>  (15) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (15) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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
   -3.0000   -2.5981    0.0000 Br  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
    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    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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    2.2050    0.0000 O   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
   -2.4768    2.7180    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
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    7.7942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.2452    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    5.7452    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -2.5981    0.0000 O   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
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 O   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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 10 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
  7 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 27 28  1  0
 28 29  1  0
 27  3  1  0
 11  6  1  0
M  END
>  <DATASOURCE_REGID>  (16) 
UALIB-2014

>  <SMILES_RDKIT_2019.09.2>  (16) 
COC1=C(Br)C2=C(CCN(C(=O)OCC(Cl)(Cl)Cl)C2CC(=O)O)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (16) 
InChI=1S/C17H19BrCl3NO7/c1-26-13-8-4-5-22(16(25)29-7-17(19,20)21)9(6-10(23)24)11(8)12(18)14(27-2)15(13)28-3/h9H,4-7H2,1-3H3,(H,23,24)

>  <SUBSTANCE_COMMENT>  (16) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (16) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 O   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
   -3.0000   -2.5981    0.0000 Br  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
    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    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
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    7.7942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.2452    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    5.7452    0.0000 Cl  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
    3.7500   -3.8971    0.0000 C   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   -5.1962    0.0000 O   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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 10 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
  7 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  2  0
 31 32  1  0
 32 33  1  0
 31  3  1  0
 11  6  1  0
 19 14  1  0
M  END
>  <DATASOURCE_REGID>  (17) 
UALIB-2015

>  <SMILES_RDKIT_2019.09.2>  (17) 
COC1=C(Br)C2=C(CCN(C(=O)OCC(Cl)(Cl)Cl)C2CSC2=NC=CC=C2)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (17) 
InChI=1S/C21H22BrCl3N2O5S/c1-29-17-12-7-9-27(20(28)32-11-21(23,24)25)13(10-33-14-6-4-5-8-26-14)15(12)16(22)18(30-2)19(17)31-3/h4-6,8,13H,7,9-11H2,1-3H3

>  <SUBSTANCE_COMMENT>  (17) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (17) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 50 53  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 O   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   -5.1962    0.0000 C   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
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490   -9.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -9.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990  -11.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -11.6913    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
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   -3.7500   -3.8971    0.0000 O   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   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    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
   -3.7500    1.2990    0.0000 O   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
   -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
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    3.0000   -2.5981    0.0000 S   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
    3.0000   -5.1962    0.0000 N   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
    5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -5.1962    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
    1.5000    0.0000    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
   -0.7500    1.2990    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
    3.7500   -1.2990    0.0000 O   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
    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
    6.7500    3.8971    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2990    1.8481    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7010    3.3481    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  5 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  2  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 31 40  1  0
 40 41  1  0
 41 42  1  0
 40 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 47 49  1  0
 47 50  1  0
 10  3  1  0
 30 19  1  0
 39 34  1  0
 42 29  1  0
M  END
>  <DATASOURCE_REGID>  (18) 
UALIB-2016

>  <SMILES_RDKIT_2019.09.2>  (18) 
COC1=CC(C2=C(OC)C(OC)=C(OC)C3=C2C(CSC2=NC=CC=C2)N(C(=O)OCC(Cl)(Cl)Cl)CC3)=CC(OC)=C1O[Si](C)(C)C(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (18) 
InChI=1S/C35H45Cl3N2O8SSi/c1-34(2,3)50(9,10)48-30-24(42-4)17-21(18-25(30)43-5)27-28-22(29(44-6)32(46-8)31(27)45-7)14-16-40(33(41)47-20-35(36,37)38)23(28)19-49-26-13-11-12-15-39-26/h11-13,15,17-18,23H,14,16,19-20H2,1-10H3

>  <SUBSTANCE_COMMENT>  (18) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (18) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   -1.5000   -5.1962    0.0000 O   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
   -3.0000   -2.5981    0.0000 Br  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
    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    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
   -3.7500    1.2990    0.0000 S   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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    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
    3.7500   -3.8971    0.0000 C   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   -5.1962    0.0000 O   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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 24  1  0
 24 25  1  0
 23  3  1  0
 11  6  1  0
 19 14  1  0
M  END
>  <DATASOURCE_REGID>  (19) 
UALIB-2017

>  <SMILES_RDKIT_2019.09.2>  (19) 
COC1=C(Br)C2=C(CCNC2CSC2=NC=CC=C2)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (19) 
InChI=1S/C18H21BrN2O3S/c1-22-16-11-7-9-20-12(10-25-13-6-4-5-8-21-13)14(11)15(19)17(23-2)18(16)24-3/h4-6,8,12,20H,7,9-10H2,1-3H3

>  <SUBSTANCE_COMMENT>  (19) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (19) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 10 11  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
    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
   -3.7500   -1.2990    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
   -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
    0.7500    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  4  9  1  0
  9 10  2  0
 10  1  1  0
  8  3  1  0
M  END
>  <DATASOURCE_REGID>  (20) 
UALIB-2018

>  <SMILES_RDKIT_2019.09.2>  (20) 
C1=NCCC2=C1C=CC=C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (20) 
InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2

>  <SUBSTANCE_COMMENT>  (20) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (20) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.2500   -3.8971    0.0000 O   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
    3.0000   -5.1962    0.0000 O   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
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  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
 13 14  2  0
 10  5  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (21) 
UALIB-2019

>  <SMILES_RDKIT_2019.09.2>  (21) 
O=C(O)CC1NCCC2=C1C=CC=C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (21) 
InChI=1S/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)

>  <SUBSTANCE_COMMENT>  (21) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (21) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 O   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
    3.0000   -0.0000    0.0000 O   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
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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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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   -0.0000  -10.3923    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -9.8433    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -8.3433    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  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
 13 14  2  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 10  5  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (22) 
UALIB-2020

>  <SMILES_RDKIT_2019.09.2>  (22) 
O=C(O)CC1C2=C(C=CC=C2)CCN1C(=O)OCC(Cl)(Cl)Cl

>  <INCHI_1.05_RDKIT_2019.09.2>  (22) 
InChI=1S/C14H14Cl3NO4/c15-14(16,17)8-22-13(21)18-6-5-9-3-1-2-4-10(9)11(18)7-12(19)20/h1-4,11H,5-8H2,(H,19,20)

>  <SUBSTANCE_COMMENT>  (22) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (22) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$

     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    0.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -9.8433    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -8.3433    0.0000 Cl  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
    0.7500   -6.4952    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
    3.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 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    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.8971    0.0000 S   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
    6.0000   -5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 13 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 18  9  1  0
 26 21  1  0
 17 12  1  0
M  END
>  <DATASOURCE_REGID>  (23) 
UALIB-2021

>  <SMILES_RDKIT_2019.09.2>  (23) 
O=C(OCC(Cl)(Cl)Cl)N1CCC2=C(C=CC=C2)C1CSC1=NC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (23) 
InChI=1S/C18H17Cl3N2O2S/c19-18(20,21)12-25-17(24)23-10-8-13-5-1-2-6-14(13)15(23)11-26-16-7-3-4-9-22-16/h1-7,9,15H,8,10-12H2

>  <SUBSTANCE_COMMENT>  (23) 
Stephenson, E.K. New synthetic approach to the tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 1993.

>  <SUBSTANCE_URL>  (23) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=809267

$$$$
