C4H8Cl2N2
  cdxl170110141815302D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  6  7  1  0        0
  3  8  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-294

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N,N'-Dichloropiperazine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
ClN1CCN(Cl)CC1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C4H8Cl2N2/c5-7-1-2-8(6)4-3-7/h1-4H2

$$$$
C4H4Cl2N2O2
  cdxl170110141815302D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.7999    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   -0.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  6  7  1  0        0
  3  8  1  0        0
  4  9  2  0        0
  1 10  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-295

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N,N'-Dichloroglycine anhydride

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
ClN(C(CN1Cl)=O)CC1=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C4H4Cl2N2O2/c5-7-1-3(9)8(6)2-4(7)10/h1-2H2

$$$$
C10H6ClNO2
  cdxl170110141815302D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.3617    0.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547    0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    1.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -1.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -0.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -0.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993   -1.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138    0.2189    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  1  3  1  0        0
  3  4  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
  5 13  1  0        0
  8 13  2  0        0
  3  7  1  0        0
  1 14  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-296

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Indolylglyoxylyl chloride

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(Cl)C(C1=CNC2=C1C=CC=C2)=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H

$$$$
C20H25NO3
  cdxl170110141815302D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.1812   -0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1909   -1.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4814   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619    0.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9805   -1.4504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878   -0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648   -0.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814    1.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3331    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3331   -0.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0475    0.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765   -1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765    1.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765   -2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 10 12  1  0        0
 12 13  2  0        0
 12 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 15  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 17 24  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-297

>  <PUBCHEM_SUBSTANCE_SYNONYM>
I-menthyl 3-indolylglyoxylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(OC1CC(C)CCC1C(C)C)=O)C2=CNC3=C2C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H25NO3/c1-12(2)14-9-8-13(3)10-18(14)24-20(23)19(22)16-11-21-17-7-5-4-6-15(16)17/h4-7,11-14,18,21H,8-10H2,1-3H3

$$$$
C20H26N2O3
  cdxl170110141815302D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.0535   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0535   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -2.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -2.1179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9101   -0.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566    0.6254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431    1.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268   -1.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    2.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557   -1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224   -1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 10 13  2  0        0
 13 14  1  0        0
 11 15  2  0        0
 12 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 16  1  0        0
 20 22  1  0        0
 17 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-298

>  <PUBCHEM_SUBSTANCE_SYNONYM>
l-menthyl alpha-oximino-3-indolylacetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O/N=C(C(OC1C(C(C)C)CCC(C)C1)=O)/C2=CNC3=C2C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H26N2O3/c1-12(2)14-9-8-13(3)10-18(14)25-20(23)19(22-24)16-11-21-17-7-5-4-6-15(16)17/h4-7,11-14,18,21,24H,8-10H2,1-3H3/b22-19-

$$$$
C20H28N2O2
  cdxl170110141815302D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.0535   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0535   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -2.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -1.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -2.1179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9101   -0.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566    0.6254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268   -1.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    2.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557   -1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224   -1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 10 13  1  0        0
 11 14  2  0        0
 12 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 15  1  0        0
 19 21  1  0        0
 16 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-299

>  <PUBCHEM_SUBSTANCE_SYNONYM>
l-menthyl alpha-amino-3-indolylacetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
NC(C(OC1C(C(C)C)CCC(C)C1)=O)C2=CNC3=C2C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H28N2O2/c1-12(2)14-9-8-13(3)10-18(14)24-20(23)19(21)16-11-22-17-7-5-4-6-15(16)17/h4-7,11-14,18-19,22H,8-10,21H2,1-3H3

$$$$
C11H10N2O3
  cdxl170110141815302D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.3443   -0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3443   -1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298   -1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298   -0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -1.5646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    1.3097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    1.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193   -0.2298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    1.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443    1.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 12  1  0        0
 10 12  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 15 16  1  0        0
 13 14  2  0        0
 13 15  1  0        0
 12 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-300

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl alpha-oximino-3-indolylacetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O/N=C(C(OC)=O)/C1=CNC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C11H10N2O3/c1-16-11(14)10(13-15)8-6-12-9-5-3-2-4-7(8)9/h2-6,12,15H,1H3/b13-10-

$$$$
C11H12N2O2
  cdxl170110141815302D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.3443   -0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3443   -1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298   -1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -1.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -1.3584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -0.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    1.5160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    1.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193   -0.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443   -0.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 11  1  0        0
 10 11  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 14 15  1  0        0
 12 13  2  0        0
 12 14  1  0        0
 11 12  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-301

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl alpha-amino-indolylacetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
NC(C(OC)=O)C1=CNC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C11H12N2O2/c1-15-11(14)10(12)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,13H,12H2,1H3

$$$$
C16H20N2O4
  cdxl170110141815302D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.6933   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933   -1.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788   -2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643   -1.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -2.2334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0672    0.6409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0672   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7578   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1703    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1703   -0.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3131    1.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8964    1.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798    2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6933    1.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5162    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3026    2.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 11  1  0        0
 10 11  1  0        0
 10 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 14 15  1  0        0
 12 13  2  0        0
 12 14  1  0        0
 11 12  1  0        0
 21 22  2  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 16 17  1  0        0
 16 21  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-302

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl N-(tert-butoxycarbonyl)-alpha-amino-3-indolylacetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(NC(OC(C)(C)C)=O)C1=CNC2=C1C=CC=C2)OC

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-13(14(19)21-4)11-9-17-12-8-6-5-7-10(11)12/h5-9,13,17H,1-4H3,(H,18,20)

$$$$
C12H11NO5S
  cdxl170110141815302D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.3443    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3443   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307    0.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -0.5569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -1.3819    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557   -1.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943   -1.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307    2.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    0.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    2.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443    2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0        0
  7  9  1  0        0
  8 14  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  8  2  0        0
  8  5  1  0        0
  9 11  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 11 13  2  0        0
 18 19  1  0        0
 16 17  2  0        0
 16 18  1  0        0
 14 15  2  0        0
 14 16  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-303

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl (1-methanesulfonyl-3-indolyl)glyoxylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CS(N(C=C1C(C(OC)=O)=O)C2=C1C=CC=C2)(=O)=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C12H11NO5S/c1-18-12(15)11(14)9-7-13(19(2,16)17)10-6-4-3-5-8(9)10/h3-7H,1-2H3

$$$$
C18H15NO5S
  cdxl170110141815302D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3442    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3442    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    2.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    0.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1308    3.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5192    2.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192    3.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3442    3.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0        0
  7  9  1  0        0
  8 20  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  8  2  0        0
  8  5  1  0        0
  9 17  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 10 15  1  0        0
 13 16  1  0        0
 10 17  1  0        0
 17 18  2  0        0
 17 19  2  0        0
 24 25  1  0        0
 22 23  2  0        0
 22 24  1  0        0
 20 21  2  0        0
 20 22  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-304

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl (1-toluenesulfonyl-3-indolyl)glyoxylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(S(N(C=C2C(C(OC)=O)=O)C3=C2C=CC=C3)(=O)=O)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H15NO5S/c1-12-7-9-13(10-8-12)25(22,23)19-11-15(17(20)18(21)24-2)14-5-3-4-6-16(14)19/h3-11H,1-2H3

$$$$
C18H16N2O5S
  cdxl170110141815302D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.3442    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1308    1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817    3.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962    3.7059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    0.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1067    2.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192    1.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192    3.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3442    3.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4 11  1  0        0
  7 11  1  0        0
  8 22  1  0        0
  9 22  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  8  2  0        0
  8  5  1  0        0
  9 10  1  0        0
 11 19  1  0        0
 12 13  2  0        0
 13 14  1  0        0
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 19 20  2  0        0
 19 21  2  0        0
 25 26  1  0        0
 23 24  2  0        0
 23 25  1  0        0
 22 23  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-305

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl alpha-oximino-(1-toluenesulfonyl-3-indolyl)acetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O/N=C(C(OC)=O)/C1=CN(S(C2=CC=C(C)C=C2)(=O)=O)C3=C1C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H16N2O5S/c1-12-7-9-13(10-8-12)26(23,24)20-11-15(17(19-22)18(21)25-2)14-5-3-4-6-16(14)20/h3-11,22H,1-2H3/b19-17-

$$$$
C18H18N2O4S
  cdxl170110141815302D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3442    1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3442    0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6298    2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    1.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817    3.4997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    0.6253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308   -1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -2.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308   -2.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837   -2.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837   -1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308   -3.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308   -0.1997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558   -0.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6942   -0.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817    2.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    2.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192    3.3891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192    1.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3442    1.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4 10  1  0        0
  7 10  1  0        0
  8 21  1  0        0
  9 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  8  2  0        0
  8  5  1  0        0
 10 18  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 11 16  1  0        0
 14 17  1  0        0
 11 18  1  0        0
 18 19  2  0        0
 18 20  2  0        0
 24 25  1  0        0
 22 23  2  0        0
 22 24  1  0        0
 21 22  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-306

>  <PUBCHEM_SUBSTANCE_SYNONYM>
 Methyl alpha-amino-(1-toluenesulfonyl-3-indolyl)acetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
NC(C(OC)=O)C1=CN(S(C2=CC=C(C)C=C2)(=O)=O)C3=C1C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H18N2O4S/c1-12-7-9-13(10-8-12)25(22,23)20-11-15(17(19)18(21)24-2)14-5-3-4-6-16(14)20/h3-11,17H,19H2,1-2H3

$$$$
C16H17Cl3N2O4
  cdxl170110141815302D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -3.0917   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917   -1.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3773   -2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628   -1.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3773   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8782   -2.2334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932   -1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8782   -0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657    0.6409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177    1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0959    2.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146    1.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979    1.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948    1.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7115    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146    2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    1.1671    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5083    0.5837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8781    1.9640    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7718    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7718   -0.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5968   -0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 21  1  0        0
 10 21  1  0        0
 10 11  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 15 20  1  0        0
 15 19  1  0        0
 15 18  1  0        0
 14 17  1  0        0
 14 16  1  0        0
 14 15  1  0        0
 13 14  1  0        0
 11 13  1  0        0
 11 12  2  0        0
 24 25  1  0        0
 22 23  2  0        0
 22 24  1  0        0
 21 22  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-307

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl N-(2,2,2-trichloro-1,1-dimethylethoxycarbonyl)
-alpha-amino-3-indolylacetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(OC(C(Cl)(Cl)Cl)(C)C)NC(C(OC)=O)C1=CNC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H17Cl3N2O4/c1-15(2,16(17,18)19)25-14(23)21-12(13(22)24-3)10-8-20-11-7-5-4-6-9(10)11/h4-8,12,20H,1-3H3,(H,21,23)

$$$$
C15H15Cl3N2O4
  cdxl170110141815302D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.3535   -0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3535   -1.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391   -1.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9246   -1.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9246   -0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391   -0.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400   -1.6804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551   -1.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031    1.1092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9283    1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    1.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    0.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1409    0.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5290   -0.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1688    1.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9171   -1.0740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0926   -1.0461    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3535   -0.3739    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275    0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400    1.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    1.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275    1.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 21  1  0        0
 10 21  1  0        0
 10 11  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 15 20  1  0        0
 15 19  1  0        0
 15 18  1  0        0
 14 17  1  0        0
 14 16  1  0        0
 14 15  1  0        0
 13 14  1  0        0
 11 13  1  0        0
 11 12  2  0        0
 22 23  2  0        0
 22 24  1  0        0
 21 22  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-308

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N-(2,2,2-trichloro-1,1-dimethylethoxycarbonyl)-alpha-amino-3-indolylacetic acid

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(OC(C(Cl)(Cl)Cl)(C)C)NC(C(O)=O)C1=CNC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H15Cl3N2O4/c1-14(2,15(16,17)18)24-13(23)20-11(12(21)22)9-7-19-10-6-4-3-5-8(9)10/h3-7,11,19H,1-2H3,(H,20,23)(H,21,22)

$$$$
C21H17N3O4
  cdxl170110141815302D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.4888    1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4888    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    0.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598    1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    1.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753    0.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904    0.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2203    1.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4639   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1784   -1.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364   -0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -2.2754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4479   -1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5153    1.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096    2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1195    0.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065    0.8315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7049    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -0.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919    0.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960   -0.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 19  1  0        0
 18 24  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 10  2  0        0
 13 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 14  1  0        0
 27 28  1  0        0
 25 26  2  0        0
 25 27  1  0        0
 24 25  1  0        0
 23 24  1  0        0
 21 22  2  0        0
 21 23  1  0        0
 19 20  2  0        0
 19 21  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-309

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl N-(3-indolylglyoxylyl)-alpha-amino-3-
indolylacetate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(NC(C(OC)=O)C1=CNC2=C1C=CC=C2)=O)C3=CNC4=C3C=CC=C4

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C21H17N3O4/c1-28-21(27)18(14-10-22-16-8-4-2-6-12(14)16)24-20(26)19(25)15-11-23-17-9-5-3-7-13(15)17/h2-11,18,22-23H,1H3,(H,24,26)

$$$$
C11H15NO3
  cdxl170110141815302D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  7  8  2  0        0
  6  7  1  0        0
  5  6  2  0        0
  4  5  1  0        0
  3  4  2  0        0
  3  8  1  0        0
  1  2  2  0        0
  1  3  1  0        0
 14 15  1  0        0
 12 13  1  0        0
 11 12  1  0        0
 11 14  1  0        0
 10 11  1  0        0
  9 10  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-310

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N-Benzoyl-alpha-aminoacetaldehyde
 dimethyl acetal

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C1=CC=CC=C1)NCC(OC)OC

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C11H15NO3/c1-14-10(15-2)8-12-11(13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13)

$$$$
C9H16Cl3NO4
  cdxl170110141815302D

 17 16  0  0  0  0  0  0  0  0999 V2000
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  5 10  1  0        0
  5  9  1  0        0
  5  8  1  0        0
  4  7  1  0        0
  4  6  1  0        0
  4  5  1  0        0
  3  4  1  0        0
  1  3  1  0        0
  1  2  2  0        0
 16 17  1  0        0
 14 15  1  0        0
 13 14  1  0        0
 13 16  1  0        0
 12 13  1  0        0
 11 12  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-311

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N-(2,2,2-Trichloro-1,1-dimethylethoxycarbonyl)-alpha-aminoacetaldehyde dimethyl acetal

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(OC(C(Cl)(Cl)Cl)(C)C)NCC(OC)OC

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H16Cl3NO4/c1-8(2,9(10,11)12)17-7(14)13-5-6(15-3)16-4/h6H,5H2,1-4H3,(H,13,14)

$$$$
C14H20Cl6N2O6
  cdxl170110141815302D

 28 28  0  0  0  0  0  0  0  0999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  6  9  1  0        0
  3 19  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  5  8  1  0        0
 13 18  1  0        0
 13 17  1  0        0
 13 16  1  0        0
 12 15  1  0        0
 12 14  1  0        0
 12 13  1  0        0
 11 12  1  0        0
  9 11  1  0        0
  9 10  2  0        0
 23 28  1  0        0
 23 27  1  0        0
 23 26  1  0        0
 22 25  1  0        0
 22 24  1  0        0
 22 23  1  0        0
 21 22  1  0        0
 19 21  1  0        0
 19 20  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-312

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-(2,2,2-trichloro-1,1-dimethylethoxycarbonyl)-2,5-dihydroxypiperazine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
OC(N(CC1O)C(OC(C(Cl)(Cl)Cl)(C)C)=O)CN1C(OC(C(Cl)(Cl)Cl)(C)C)=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H20Cl6N2O6/c1-11(2,13(15,16)17)27-9(25)21-5-8(24)22(6-7(21)23)10(26)28-12(3,4)14(18,19)20/h7-8,23-24H,5-6H2,1-4H3

$$$$
C16H24Cl6N2O6
  cdxl170110141815302D

 30 30  0  0  0  0  0  0  0  0999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2 19  1  0        0
  5 17  1  0        0
  6  7  1  0        0
  3 21  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
 11 16  1  0        0
 11 15  1  0        0
 11 14  1  0        0
 10 13  1  0        0
 10 12  1  0        0
 10 11  1  0        0
  9 10  1  0        0
  7  9  1  0        0
  7  8  2  0        0
 17 18  1  0        0
 19 20  1  0        0
 25 30  1  0        0
 25 29  1  0        0
 25 28  1  0        0
 24 27  1  0        0
 24 26  1  0        0
 24 25  1  0        0
 23 24  1  0        0
 21 23  1  0        0
 21 22  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-313

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-(2,2,2-trichloro-1,1-dimethylethoxycarbonyl)-2,5-dimethoxypiperazine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(OC(C(Cl)(Cl)Cl)(C)C)N(CC(N(C1)C(OC(C(Cl)(Cl)Cl)(C)C)=O)OC)C1OC

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H24Cl6N2O6/c1-13(2,15(17,18)19)29-11(25)23-7-10(28-6)24(8-9(23)27-5)12(26)30-14(3,4)16(20,21)22/h9-10H,7-8H2,1-6H3

$$$$
C22H23Cl6N3O4
  cdxl170110141815302D

 35 37  0  0  0  0  0  0  0  0999 V2000
   -2.8930   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930   -1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785   -2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640   -1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794   -2.1599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945   -1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8601   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794   -4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515    3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6390    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    2.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    4.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 11 16  1  0        0
 14 26  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 10  1  0        0
 20 25  1  0        0
 20 24  1  0        0
 20 23  1  0        0
 19 22  1  0        0
 19 21  1  0        0
 19 20  1  0        0
 18 19  1  0        0
 16 18  1  0        0
 16 17  2  0        0
 30 35  1  0        0
 30 34  1  0        0
 30 33  1  0        0
 29 32  1  0        0
 29 31  1  0        0
 29 30  1  0        0
 28 29  1  0        0
 26 28  1  0        0
 26 27  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-314

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Bis(2,2,2-trichloro-1,1-dimethylethoxycarbonyl)-2-(3'-indol-yl)-1,2,3,4-tetrahydropyrazine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(OC(C(Cl)(Cl)Cl)(C)C)N(C=CN(C1)C(OC(C(Cl)(Cl)Cl)(C)C)=O)C1C2=CNC3=C2C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H23Cl6N3O4/c1-19(2,21(23,24)25)34-17(32)30-9-10-31(18(33)35-20(3,4)22(26,27)28)16(12-30)14-11-29-15-8-6-5-7-13(14)15/h5-11,16,29H,12H2,1-4H3

$$$$
C14H18Cl6N2O5
  cdxl170110141815302D

 27 27  0  0  0  0  0  0  0  0999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1105   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-315

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Bis(2,2,2-trichloro-1,1-dimethylethoxycarbonyl)-2-hydroxy-1,2,3,4-tetrahydropyrazine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
OC(N(C=C1)C(OC(C(Cl)(Cl)Cl)(C)C)=O)CN1C(OC(C(Cl)(Cl)Cl)(C)C)=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H18Cl6N2O5/c1-11(2,13(15,16)17)26-9(24)21-5-6-22(8(23)7-21)10(25)27-12(3,4)14(18,19)20/h5-6,8,23H,7H2,1-4H3

$$$$
C8H10N2O4
  cdxl170110141815302D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-316

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Diacetylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(CN1C(C)=O)N(C(C)=O)CC1=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3

$$$$
C14H11NO2S
  cdxl170110141815302D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.5193    1.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1792    1.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 18  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-317

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(Phenylsulfonyl)indole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=S(N1C2=CC=CC=C2C=C1)(C3=CC=CC=C3)=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H

$$$$
C14H11NO3S
  cdxl170110141815302D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 14 19  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-318

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,2-Dihydro-1-(phenylsulfonyl)-3H-indol-3-one

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1CN(S(=O)(C2=CC=CC=C2)=O)C3=C1C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H11NO3S/c16-14-10-15(13-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-9H,10H2

$$$$
C18H18N2O2
  cdxl170110141815302D

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 16 22  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-319

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Dibenzylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(CN1CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC1=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H18N2O2/c21-17-14-20(12-16-9-5-2-6-10-16)18(22)13-19(17)11-15-7-3-1-4-8-15/h1-10H,11-14H2

$$$$
C20H22N2O4
  cdxl170110141815302D

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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-320

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Dibenzyl-3,6-dimethoxypiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(OC)N(CC1=CC=CC=C1)C2=O)N(CC3=CC=CC=C3)C2OC

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H22N2O4/c1-25-19-17(23)22(14-16-11-7-4-8-12-16)20(26-2)18(24)21(19)13-15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3

$$$$
C16H15BrN2
  cdxl170110141815302D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.9699    0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5954    0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845   -1.3551    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
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 17 18  2  0        0
 18 12  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-321

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(3'-indolyl)indolene hydrobromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C1(NC(C2=CNC3=C2C=CC=C3)C4)=C4C=CC=C1.Br

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H14N2.BrH/c1-3-7-14-11(5-1)9-16(18-14)13-10-17-15-8-4-2-6-12(13)15;/h1-8,10,16-18H,9H2;1H

$$$$
C18H16Br2N2O2
  cdxl170110141815302D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9112    0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2322    0.9678    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0169   -1.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  2  0        0
 18 23  1  0        0
 18 24  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-322

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Dibenzyl-3,6-dibromopiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(Br)N1CC2=CC=CC=C2)N(CC3=CC=CC=C3)C(Br)C1=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H16Br2N2O2/c19-15-18(24)22(12-14-9-5-2-6-10-14)16(20)17(23)21(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2

$$$$
C34H28N4O2
  cdxl170110141815302D

 40 46  0  0  0  0  0  0  0  0999 V2000
   -3.5048   -1.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-323

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Dibenzyl-3,6-bis(3'-indolyl)piperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=CC=C2)N3CC4=CC=CC=C4)N(CC5=CC=CC=C5)C(C6=CNC7=C6C=CC=C7)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C34H28N4O2/c39-33-32(28-20-36-30-18-10-8-16-26(28)30)38(22-24-13-5-2-6-14-24)34(40)31(37(33)21-23-11-3-1-4-12-23)27-19-35-29-17-9-7-15-25(27)29/h1-20,31-32,35-36H,21-22H2

$$$$
C7H6BrNO2
  cdxl170110141815302D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.1129    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8994    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  2  7  1  0        0
  5  8  1  0        0
M  CHG  2   9   1  11  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3   9  10  11
M  SBL   1  1   3
M  SMT   1 NO2
M  SBV   1   3   -0.5834    0.5833
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-324

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Bromo-2-nitrotoluene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC([N+]([O-])=O)=C(C)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

$$$$
C34H26Br2N4O2
  cdxl170110141815302D

 42 48  0  0  0  0  0  0  0  0999 V2000
   -3.5048   -1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-325

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Dibenzyl-3,6-bis(6'-bromo-3'-indolyl)piperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=CC(Br)=C2)N3CC4=CC=CC=C4)N(CC5=CC=CC=C5)C(C6=CNC7=C6C=CC(Br)=C7)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C34H26Br2N4O2/c35-23-11-13-25-27(17-37-29(25)15-23)31-34(42)40(20-22-9-5-2-6-10-22)32(28-18-38-30-16-24(36)12-14-26(28)30)33(41)39(31)19-21-7-3-1-4-8-21/h1-18,31-32,37-38H,19-20H2

$$$$
C34H30N4O
  cdxl170110141815302D

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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-326

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Dibenzyl-3,6-bis(3'-indolyl)-piperazine-2-one

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=CC=C2)N(CC3=CC=CC=C3)C4)N(CC5=CC=CC=C5)C4C6=CNC7=C6C=CC=C7

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C34H30N4O/c39-34-33(29-20-36-31-18-10-8-16-27(29)31)37(21-24-11-3-1-4-12-24)23-32(38(34)22-25-13-5-2-6-14-25)28-19-35-30-17-9-7-15-26(28)30/h1-20,32-33,35-36H,21-23H2

$$$$
C6H8Br2N2O2
  cdxl170110141815302D

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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-327

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Dibromo-1,4-dimethylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(Br)N1C)N(C)C(Br)C1=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C6H8Br2N2O2/c1-9-3(7)6(12)10(2)4(8)5(9)11/h3-4H,1-2H3

$$$$
C22H20N4O2
  cdxl170110141815302D

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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-328

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Bis(3'-indolyl)-1,4-dimethylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=CC=C2)N3C)N(C)C(C4=CNC5=C4C=CC=C5)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H20N4O2/c1-25-19(15-11-23-17-9-5-3-7-13(15)17)22(28)26(2)20(21(25)27)16-12-24-18-10-6-4-8-14(16)18/h3-12,19-20,23-24H,1-2H3

$$$$
C22H24N4
  cdxl170110141815302D

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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-329

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,5-Bis(3'-indolyl)-1,4-dimethylpiperazine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CN(CC(C1=CNC2=C1C=CC=C2)N(C)C3)C3C4=CNC5=C4C=CC=C5

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H24N4/c1-25-13-22(18-12-24-20-10-6-4-8-16(18)20)26(2)14-21(25)17-11-23-19-9-5-3-7-15(17)19/h3-12,21-24H,13-14H2,1-2H3

$$$$
C22H18Br2N4O2
  cdxl170110141815302D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-330

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Bis(6'-bromo-3'-indolyl)-1,4-dimethylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=CC(Br)=C2)N3C)N(C)C(C4=CNC5=C4C=CC(Br)=C5)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H18Br2N4O2/c1-27-19(15-9-25-17-7-11(23)3-5-13(15)17)22(30)28(2)20(21(27)29)16-10-26-18-8-12(24)4-6-14(16)18/h3-10,19-20,25-26H,1-2H3

$$$$
C22H22Br2N4
  cdxl170110141815302D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -3.5460   -1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-331

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Dragmacidin B

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC(NC=C2C3N(C)CC(C4=CNC5=C4C=CC(Br)=C5)N(C)C3)=C2C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H22Br2N4/c1-27-11-22(18-10-26-20-8-14(24)4-6-16(18)20)28(2)12-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h3-10,21-22,25-26H,11-12H2,1-2H3

$$$$
C22H18Br2N4O2
  cdxl170110141815302D

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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-332

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Bis(5'-bromo-3'-indolyl)-1,4-dimethylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=C(Br)C=C2)N3C)N(C)C(C4=CNC5=C4C=C(Br)C=C5)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H18Br2N4O2/c1-27-19(15-9-25-17-5-3-11(23)7-13(15)17)22(30)28(2)20(21(27)29)16-10-26-18-6-4-12(24)8-14(16)18/h3-10,19-20,25-26H,1-2H3

$$$$
C24H24N4O4
  cdxl170110141815302D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-333

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Bis(5'-methoxy-3'-indolyl)-1,4-dimethylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=C(C=C2)OC)N3C)N(C)C(C4=CNC5=C4C=C(C=C5)OC)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H24N4O4/c1-27-21(17-11-25-19-7-5-13(31-3)9-15(17)19)24(30)28(2)22(23(27)29)18-12-26-20-8-6-14(32-4)10-16(18)20/h5-12,21-22,25-26H,1-4H3

$$$$
C24H24N4O2
  cdxl170110141815302D

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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-334

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Bis(7'-methyl-3'-indolyl)-1,4-dimethylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C=CC=C2C)N3C)N(C)C(C4=CNC5=C4C=CC=C5C)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H24N4O2/c1-13-7-5-9-15-17(11-25-19(13)15)21-23(29)28(4)22(24(30)27(21)3)18-12-26-20-14(2)8-6-10-16(18)20/h5-12,21-22,25-26H,1-4H3

$$$$
C26H28N4O6
  cdxl170110141815302D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-335

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Bis(4',7'-dimethoxy-3'-indolyl-1,4-dimethylpiperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(C(C1=CNC2=C1C(OC)=CC=C2OC)N3C)N(C)C(C4=CNC5=C4C(OC)=CC=C5OC)C3=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C26H28N4O6/c1-29-23(13-11-27-21-17(35-5)9-7-15(33-3)19(13)21)26(32)30(2)24(25(29)31)14-12-28-22-18(36-6)10-8-16(34-4)20(14)22/h7-12,23-24,27-28H,1-6H3

$$$$
C14H10BrNO2S
  cdxl170110141815302D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-336

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Bromo-1-(phenylsulfonyl)indole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CN(S(=O)(C2=CC=CC=C2)=O)C3=C1C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H

$$$$
C11H15NSi
  cdxl170110141815302D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-337

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(Trimethylsilyl)indole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C[Si](C)(C)N(C=C1)C2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C11H15NSi/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12/h4-9H,1-3H3

$$$$
C20H12N4O4
  cdxl170110141815302D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -3.5048   -1.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5048   -2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7903   -2.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -1.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7903   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -2.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8063   -1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -0.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4588    0.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214    0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7183    0.4742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -0.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0422    1.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8571    1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2316    1.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6482    2.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131    2.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    0.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1302    0.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5048    1.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    1.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0890   -0.7498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380    0.8440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0918   -2.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297    2.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 25  1  0        0
 11 25  1  0        0
 12 26  1  0        0
 13 26  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  5  1  0        0
  9 10  2  0        0
 11 12  1  0        0
 13 10  1  0        0
 13 14  2  0        0
 11 15  2  0        0
 12 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 16  1  0        0
 17 21  1  0        0
 21 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 24 18  1  0        0
  8 27  2  0        0
 20 28  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-338

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,6-Di(2-oxo-3-indolylidene)piperazine-2,5-dione

>  <PUBCHEM_SUBSTANCE_COMMENT>
Whitlock, C.R. Synthetic Approaches to the Dragmacidin Alkaloids. Ph.D. Dissertation, The University of Alabama, 1994.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=823118

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(/C(N1)=C(C2=C(N3)C=CC=C2)/C3=O)N/C(C1=O)=C4C(C=CC=C5)=C5NC/4=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H12N4O4/c25-17-13(9-5-1-3-7-11(9)21-17)15-19(27)24-16(20(28)23-15)14-10-6-2-4-8-12(10)22-18(14)26/h1-8H,(H,21,25)(H,22,26)(H,23,28)(H,24,27)/b15-13-,16-14-

$$$$
