
     RDKit          2D

 14 15  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 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 N   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
   -3.7500    3.8971    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
   -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
   -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  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  5 13  1  0
 13 14  2  0
 14  2  1  0
 12  7  1  0
M  END
>  <DATASOURCE_REGID>  (1) 
UALIB-2061

>  <SMILES_RDKIT_2019.09.2>  (1) 
CC1=CC=C(NC2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3

>  <SUBSTANCE_COMMENT>  (1) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (1) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 15 16  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 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 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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  2  1  0
 15 10  1  0
M  END
>  <DATASOURCE_REGID>  (2) 
UALIB-2062

>  <SMILES_RDKIT_2019.09.2>  (2) 
CC1=CC=CC(C)=C1NC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C14H15N/c1-11-7-6-8-12(2)14(11)15-13-9-4-3-5-10-13/h3-10,15H,1-2H3

>  <SUBSTANCE_COMMENT>  (2) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (2) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 16 17  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 N   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
    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 N   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
   -3.7500    3.8971    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
   -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
   -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
  4  5  2  0
  5  6  1  0
  6  7  2  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
  7 15  1  0
 15 16  2  0
 16  4  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (3) 
UALIB-2063

>  <SMILES_RDKIT_2019.09.2>  (3) 
CN(C)C1=CC=C(NC2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C14H16N2/c1-16(2)14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h3-11,15H,1-2H3

>  <SUBSTANCE_COMMENT>  (3) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (3) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 F   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
   -3.0000    0.0000    0.0000 N   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
   -3.7500    3.8971    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
   -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
   -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  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  5 13  1  0
 13 14  2  0
 14  2  1  0
 12  7  1  0
M  END
>  <DATASOURCE_REGID>  (4) 
UALIB-2064

>  <SMILES_RDKIT_2019.09.2>  (4) 
FC1=CC=C(NC2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (4) 
InChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H

>  <SUBSTANCE_COMMENT>  (4) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (4) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.5000    0.0000    0.0000 F   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
    3.0000   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5000    0.0000 F   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
   -3.0000    0.0000    0.0000 N   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
   -3.7500    3.8971    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
   -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
   -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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8 16  1  0
 16 17  2  0
 17  5  1  0
 15 10  1  0
M  END
>  <DATASOURCE_REGID>  (5) 
UALIB-2065

>  <SMILES_RDKIT_2019.09.2>  (5) 
FC(F)(F)C1=CC=C(NC2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (5) 
InChI=1S/C13H10F3N/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9,17H

>  <SUBSTANCE_COMMENT>  (5) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (5) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 17 18  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 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 N   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
   -3.7500    3.8971    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
   -6.0000    5.1962    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    1.2990    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
   -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  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
  5 16  1  0
 16 17  2  0
 17  2  1  0
 14  7  1  0
M  END
>  <DATASOURCE_REGID>  (6) 
UALIB-2066

>  <SMILES_RDKIT_2019.09.2>  (6) 
CC1=CC=C(NC2=C(C)C=C(C)C=C2C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (6) 
InChI=1S/C16H19N/c1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3

>  <SUBSTANCE_COMMENT>  (6) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (6) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 20 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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538    0.5734    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
   -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
   -0.7500    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
    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 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  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
  9 11  1  0
  8 12  2  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
 17 19  1  0
 19 20  2  0
 12  4  1  0
 20 14  1  0
M  END
>  <DATASOURCE_REGID>  (7) 
UALIB-2067

>  <SMILES_RDKIT_2019.09.2>  (7) 
CC1=CC=C(NC2=C(C(C)C)C=CC=C2C(C)C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (7) 
InChI=1S/C19H25N/c1-13(2)17-7-6-8-18(14(3)4)19(17)20-16-11-9-15(5)10-12-16/h6-14,20H,1-5H3

>  <SUBSTANCE_COMMENT>  (7) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (7) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 18 19  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 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
   -1.1772   -2.3056    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 N   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 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
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147   -2.7314    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
    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  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  6 16  1  0
 16 17  1  0
 16 18  2  0
 18  2  1  0
 14  8  1  0
M  END
>  <DATASOURCE_REGID>  (8) 
UALIB-2068

>  <SMILES_RDKIT_2019.09.2>  (8) 
CC1=CC(C)=C(NC2=C(C)C=CC=C2C)C(C)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (8) 
InChI=1S/C17H21N/c1-11-9-14(4)17(15(5)10-11)18-16-12(2)7-6-8-13(16)3/h6-10,18H,1-5H3

>  <SUBSTANCE_COMMENT>  (8) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (8) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 17 18  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 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
   -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 N   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 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
   -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 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  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  6 15  1  0
 15 16  1  0
 15 17  2  0
 17  2  1  0
 14  8  1  0
M  END
>  <DATASOURCE_REGID>  (9) 
UALIB-2069

>  <SMILES_RDKIT_2019.09.2>  (9) 
CC1=CC(C)=C(NC2=C(C)C=CC=C2)C(C)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (9) 
InChI=1S/C16H19N/c1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2/h5-10,17H,1-4H3

>  <SUBSTANCE_COMMENT>  (9) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (9) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 15 16  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
   -3.0000    0.0000    0.0000 N   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
   -3.7500    3.8971    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
   -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
   -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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6 14  1  0
 14 15  2  0
 15  3  1  0
 13  8  1  0
M  END
>  <DATASOURCE_REGID>  (10) 
UALIB-2070

>  <SMILES_RDKIT_2019.09.2>  (10) 
COC1=CC=C(NC2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (10) 
InChI=1S/C13H13NO/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14H,1H3

>  <SUBSTANCE_COMMENT>  (10) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (10) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 14 15  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 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    2.5981    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    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
   -0.7500    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
  1  2  1  0
  2  3  2  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  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (11) 
UALIB-2071

>  <SMILES_RDKIT_2019.09.2>  (11) 
CC1=CC=CC=C1NC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (11) 
InChI=1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3

>  <SUBSTANCE_COMMENT>  (11) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (11) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 16 17  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
    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 N   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
   -3.7500   -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
   -3.0000   -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  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  8  3  1  0
 16 11  1  0
M  END
>  <DATASOURCE_REGID>  (12) 
UALIB-2072

>  <SMILES_RDKIT_2019.09.2>  (12) 
COC1=CC=C(N(C)C2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (12) 
InChI=1S/C14H15NO/c1-15(12-6-4-3-5-7-12)13-8-10-14(16-2)11-9-13/h3-11H,1-2H3

>  <SUBSTANCE_COMMENT>  (12) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (12) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    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 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
    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
    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 C   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
    5.2500   -3.8971    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   -1.2990    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
  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
  2  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 15  9  1  0
M  END
>  <DATASOURCE_REGID>  (13) 
UALIB-2073

>  <SMILES_RDKIT_2019.09.2>  (13) 
CC1=C(N(C)C2=CC=CC=C2)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (13) 
InChI=1S/C14H15N/c1-12-8-6-7-11-14(12)15(2)13-9-4-3-5-10-13/h3-11H,1-2H3

>  <SUBSTANCE_COMMENT>  (13) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (13) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 14 15  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
    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 N   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
   -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 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  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  8  3  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (14) 
UALIB-2074

>  <SMILES_RDKIT_2019.09.2>  (14) 
COC1=CC=C(N2CCOCC2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (14) 
InChI=1S/C11H15NO2/c1-13-11-4-2-10(3-5-11)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3

>  <SUBSTANCE_COMMENT>  (14) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (14) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 13 14  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 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
   -3.0000    0.0000    0.0000 N   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
   -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 C   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
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  7  2  1  0
 13  8  1  0
M  END
>  <DATASOURCE_REGID>  (15) 
UALIB-2075

>  <SMILES_RDKIT_2019.09.2>  (15) 
CC1=CC=C(N2CCOCC2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (15) 
InChI=1S/C11H15NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5H,6-9H2,1H3

>  <SUBSTANCE_COMMENT>  (15) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (15) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 15 16  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
    1.5000   -2.5981    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
   -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 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
    0.7500   -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   -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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  3  1  0
 11  6  1  0
M  END
>  <DATASOURCE_REGID>  (16) 
UALIB-2076

>  <SMILES_RDKIT_2019.09.2>  (16) 
COC1=C(NC2=CC=CC=C2)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (16) 
InChI=1S/C13H13NO/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h2-10,14H,1H3

>  <SUBSTANCE_COMMENT>  (16) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (16) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 18 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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 N   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
   -3.7500    3.8971    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
   -6.0000    5.1962    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    1.2990    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
   -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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
  6 17  1  0
 17 18  2  0
 18  3  1  0
 15  8  1  0
M  END
>  <DATASOURCE_REGID>  (17) 
UALIB-2077

>  <SMILES_RDKIT_2019.09.2>  (17) 
COC1=CC=C(NC2=C(C)C=C(C)C=C2C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (17) 
InChI=1S/C16H19NO/c1-11-9-12(2)16(13(3)10-11)17-14-5-7-15(18-4)8-6-14/h5-10,17H,1-4H3

>  <SUBSTANCE_COMMENT>  (17) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (17) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 18 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
    1.5000   -2.5981    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
   -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
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.0000   -5.1962    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
  4 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  3  1  0
 13  6  1  0
M  END
>  <DATASOURCE_REGID>  (18) 
UALIB-2078

>  <SMILES_RDKIT_2019.09.2>  (18) 
COC1=C(NC2=C(C)C=C(C)C=C2C)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (18) 
InChI=1S/C16H19NO/c1-11-9-12(2)16(13(3)10-11)17-14-7-5-6-8-15(14)18-4/h5-10,17H,1-4H3

>  <SUBSTANCE_COMMENT>  (18) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (18) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 22 23  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
   -1.5000   -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
   -3.0000    0.0000    0.0000 N   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
   -3.7500    3.8971    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
   -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
   -6.0000    0.0000    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
   -5.7803   -0.7663    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
   -0.7500    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
  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  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
 15 17  1  0
 10 18  1  0
 18 19  1  0
 18 20  1  0
  7 21  1  0
 21 22  2  0
 22  3  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (19) 
UALIB-2079

>  <SMILES_RDKIT_2019.09.2>  (19) 
COC1=CC(C)=C(NC2=C(C(C)C)C=CC=C2C(C)C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (19) 
InChI=1S/C20H27NO/c1-13(2)17-8-7-9-18(14(3)4)20(17)21-19-11-10-16(22-6)12-15(19)5/h7-14,21H,1-6H3

>  <SUBSTANCE_COMMENT>  (19) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (19) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 21 22  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
    1.5000   -2.5981    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
   -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 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
    0.7500   -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
    3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2803   -1.8318    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  7 15  1  0
 15 16  1  0
 15 17  1  0
  4 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 11  6  1  0
M  END
>  <DATASOURCE_REGID>  (20) 
UALIB-2080

>  <SMILES_RDKIT_2019.09.2>  (20) 
COC1=C(NC2=C(C(C)C)C=CC=C2C(C)C)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (20) 
InChI=1S/C19H25NO/c1-13(2)15-9-8-10-16(14(3)4)19(15)20-17-11-6-7-12-18(17)21-5/h6-14,20H,1-5H3

>  <SUBSTANCE_COMMENT>  (20) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (20) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 13 14  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 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   -2.5981    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   -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
    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
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  3  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  7  2  1  0
 13  8  1  0
M  END
>  <DATASOURCE_REGID>  (21) 
UALIB-2081

>  <SMILES_RDKIT_2019.09.2>  (21) 
CC1=C(N2CCOCC2)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (21) 
InChI=1S/C11H15NO/c1-10-4-2-3-5-11(10)12-6-8-13-9-7-12/h2-5H,6-9H2,1H3

>  <SUBSTANCE_COMMENT>  (21) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (21) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 14 15  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
    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 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   -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
    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
  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  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  8  3  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (22) 
UALIB-2082

>  <SMILES_RDKIT_2019.09.2>  (22) 
COC1=C(N2CCOCC2)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (22) 
InChI=1S/C11H15NO2/c1-13-11-5-3-2-4-10(11)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3

>  <SUBSTANCE_COMMENT>  (22) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (22) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 16 17  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
    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 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
    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 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
    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 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  2  0
  4  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  8  3  1  0
 16 11  1  0
M  END
>  <DATASOURCE_REGID>  (23) 
UALIB-2083

>  <SMILES_RDKIT_2019.09.2>  (23) 
COC1=C(N(C)C2=CC=CC=C2)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (23) 
InChI=1S/C14H15NO/c1-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16-2/h3-11H,1-2H3

>  <SUBSTANCE_COMMENT>  (23) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (23) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.0000   -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
    6.7500   -1.2990    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
    4.5000    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
    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
    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 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  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13 14  1  0
 13 15  2  0
 12  7  1  0
M  END
>  <DATASOURCE_REGID>  (24) 
UALIB-2084

>  <SMILES_RDKIT_2019.09.2>  (24) 
CCCCC#CC1=CC=C(C(C)=O)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (24) 
InChI=1S/C14H16O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-11H,3-5H2,1-2H3

>  <SUBSTANCE_COMMENT>  (24) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (24) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 15 15  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 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 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
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -1.5000    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
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  3  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
  9  4  1  0
M  END
>  <DATASOURCE_REGID>  (25) 
UALIB-2085

>  <SMILES_RDKIT_2019.09.2>  (25) 
CC(=O)C1=CC=C(C#C[Si](C)(C)C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (25) 
InChI=1S/C13H16OSi/c1-11(14)13-7-5-12(6-8-13)9-10-15(2,3)4/h5-8H,1-4H3

>  <SUBSTANCE_COMMENT>  (25) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (25) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 14 14  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 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 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
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    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
   -6.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 O   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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  3  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  9  4  1  0
M  END
>  <DATASOURCE_REGID>  (26) 
UALIB-2086

>  <SMILES_RDKIT_2019.09.2>  (26) 
CC(=O)C1=CC=C(C#CCCO)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (26) 
InChI=1S/C12H12O2/c1-10(14)12-7-5-11(6-8-12)4-2-3-9-13/h5-8,13H,3,9H2,1H3

>  <SUBSTANCE_COMMENT>  (26) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (26) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 14 14  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
    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
   -4.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -1.5000    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
  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
  6  9  1  0
  9 10  3  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  8  3  1  0
M  END
>  <DATASOURCE_REGID>  (27) 
UALIB-2087

>  <SMILES_RDKIT_2019.09.2>  (27) 
COC1=CC=C(C#C[Si](C)(C)C)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (27) 
InChI=1S/C12H16OSi/c1-13-12-7-5-11(6-8-12)9-10-14(2,3)4/h5-8H,1-4H3

>  <SUBSTANCE_COMMENT>  (27) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (27) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 13 13  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 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    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.1962    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    1.7010    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990    4.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  7  2  1  0
M  END
>  <DATASOURCE_REGID>  (28) 
UALIB-2088

>  <SMILES_RDKIT_2019.09.2>  (28) 
CC1=CC=CC=C1C#C[Si](C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (28) 
InChI=1S/C12H16Si/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-8H,1-4H3

>  <SUBSTANCE_COMMENT>  (28) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (28) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 12 12  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 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    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.8971    0.0000 C   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
    2.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.7942    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
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  7  2  1  0
M  END
>  <DATASOURCE_REGID>  (29) 
UALIB-2089

>  <SMILES_RDKIT_2019.09.2>  (29) 
CC1=CC=CC=C1C#CCCO

>  <INCHI_1.05_RDKIT_2019.09.2>  (29) 
InChI=1S/C11H12O/c1-10-6-2-3-7-11(10)8-4-5-9-12/h2-3,6-7,12H,5,9H2,1H3

>  <SUBSTANCE_COMMENT>  (29) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (29) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.5000    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
    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
   -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 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
   -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  3  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
  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
 16  3  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (30) 
UALIB-2090

>  <SMILES_RDKIT_2019.09.2>  (30) 
N#CC1=CC=C(/C=C/C2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (30) 
InChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6+

>  <SUBSTANCE_COMMENT>  (30) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (30) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 16 17  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
   -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 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 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
   -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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  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
 16  3  1  0
 14  9  1  0
M  END
>  <DATASOURCE_REGID>  (31) 
UALIB-2091

>  <SMILES_RDKIT_2019.09.2>  (31) 
COC1=CC=C(/C=C/C2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (31) 
InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+

>  <SUBSTANCE_COMMENT>  (31) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (31) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 17 18  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 N   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
    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
   -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 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
   -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
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7 16  1  0
 16 17  2  0
 17  4  1  0
 15 10  1  0
M  END
>  <DATASOURCE_REGID>  (32) 
UALIB-2092

>  <SMILES_RDKIT_2019.09.2>  (32) 
CN(C)C1=CC=C(/C=C/C2=CC=CC=C2)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (32) 
InChI=1S/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b9-8+

>  <SUBSTANCE_COMMENT>  (32) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (32) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.5000    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
    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
    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
   -4.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  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
  6  9  1  0
  9 10  3  0
  8  3  1  0
M  END
>  <DATASOURCE_REGID>  (33) 
UALIB-2093

>  <SMILES_RDKIT_2019.09.2>  (33) 
N#CC1=CC=C(C#N)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (33) 
InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H

>  <SUBSTANCE_COMMENT>  (33) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (33) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 11 11  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
    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
    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
    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
   -4.5000    0.0000    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  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  3  0
  9  4  1  0
M  END
>  <DATASOURCE_REGID>  (34) 
UALIB-2094

>  <SMILES_RDKIT_2019.09.2>  (34) 
COCC1=CC=C(C#N)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (34) 
InChI=1S/C9H9NO/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3

>  <SUBSTANCE_COMMENT>  (34) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (34) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 10 10  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
    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
   -4.5000    0.0000    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
  6  9  1  0
  9 10  3  0
  8  3  1  0
M  END
>  <DATASOURCE_REGID>  (35) 
UALIB-2095

>  <SMILES_RDKIT_2019.09.2>  (35) 
COC1=CC=C(C#N)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (35) 
InChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

>  <SUBSTANCE_COMMENT>  (35) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (35) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 Cl  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
    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
    2.2500   -3.8971    0.0000 N   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
  3  8  1  0
  8  9  3  0
  7  2  1  0
M  END
>  <DATASOURCE_REGID>  (36) 
UALIB-2096

>  <SMILES_RDKIT_2019.09.2>  (36) 
N#CC1=C(Cl)C=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (36) 
InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H

>  <SUBSTANCE_COMMENT>  (36) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (36) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 11 11  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 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 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
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.0000    0.0000 N   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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  3  0
  9  4  1  0
M  END
>  <DATASOURCE_REGID>  (37) 
UALIB-2097

>  <SMILES_RDKIT_2019.09.2>  (37) 
CC(=O)C1=CC=C(C#N)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (37) 
InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3

>  <SUBSTANCE_COMMENT>  (37) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (37) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.0000   -1.5000    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
    3.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    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    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
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    0.0000    0.0000 N   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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  3  0
 10  5  1  0
M  END
>  <DATASOURCE_REGID>  (38) 
UALIB-2098

>  <SMILES_RDKIT_2019.09.2>  (38) 
CC(C)(C)C1=CC=C(C#N)C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (38) 
InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3

>  <SUBSTANCE_COMMENT>  (38) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (38) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$

     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.5000    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
    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
   -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  3  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
  8  3  1  0
M  END
>  <DATASOURCE_REGID>  (39) 
UALIB-2099

>  <SMILES_RDKIT_2019.09.2>  (39) 
N#CC1=NC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (39) 
InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H

>  <SUBSTANCE_COMMENT>  (39) 
Hill, L.L. Investigations of cross coupling reactions: synthesis and scope of new neopentyl phosphine ligands and pre-formed palladium catalysts. Ph.D. Thesis, The University of Alabama, 2009.

>  <SUBSTANCE_URL>  (39) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=2765001

$$$$
