18473
  CML DOM 09261310112D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <NSC>
18473

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14047-53-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H7NO2

>  <Molecular Weight (nearest integer)>
125

$$$$
65248
  CML DOM 09261310112D

  8  8  0  0  0  0  0  0  0  0999 V2000
    5.1737    1.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7466    1.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3200    1.6357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102   -0.2544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9602    2.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9601    3.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7102   -0.2544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6003    1.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <NSC>
65248

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6846-35-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C2H2N2S3

>  <Molecular Weight (nearest integer)>
150

>  <dtpname:Chemical Name>
Xanthane hydride

>  <dtpname:Chemical Name>
Xanthanohydrogen

>  <dtpname:Chemical Name>
Isoperthiocyanic acid

>  <dtpname:Chemical Name>
5-Imino-1,2,4-dithiazolidine-3-thione

>  <dtpname:Chemical Name>
1,2,4-Dithiazolidine-3-thione, 5-imino-

>  <dtpname:Chemical Name>
WLN: T5MYSSYJ BUS EUM

>  <dtpname:9th C.I.>
3H-1,2,4-Dithiazole-3-thione, 5-amino-

>  <dtpname:8th C.I.>
3H-1,2,4-Dithiazole-3-thione, 5-amino-

$$$$
173969
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.0304    1.3151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6882    1.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119    3.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5234   -1.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8248    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452   -0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420   -1.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -1.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1227    0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237   -1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
173969

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4649-09-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6N2O

>  <Molecular Weight (nearest integer)>
146

$$$$
7950
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    2.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <NSC>
7950

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1134-36-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11NO

>  <Molecular Weight (nearest integer)>
185

>  <dtpname:Chemical Name>
2-Amino-4-phenylphenol

>  <dtpname:Chemical Name>
4-Biphenylol, 3-amino-

>  <dtpname:Chemical Name>
2-Hydroxy-5-phenylaniline

>  <dtpname:Chemical Name>
3-Amino-4-hydroxybiphenyl

>  <dtpname:Chemical Name>
Phenol, 2-amino-4-phenyl-

>  <dtpname:9th C.I.>
[1,1'-Biphenyl]-4-ol, 3-amino-

$$$$
12588
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.1699    1.9041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516    3.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0151    4.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333    1.9041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    5.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881    4.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516    3.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    5.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5564    4.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    4.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0977    3.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
12588

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5410-16-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H14N2S

>  <Molecular Weight (nearest integer)>
158

>  <dtpname:Chemical Name>
1-Butyl-2-imidazolidinethione

>  <dtpname:8th C.I.>
2-Imidazolidinethione, 1-butyl-

$$$$
16646
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
16646

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13205-46-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O3

>  <Molecular Weight (nearest integer)>
180

$$$$
23225
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.9462    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
23225

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10546-83-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H16N2O

>  <Molecular Weight (nearest integer)>
156

$$$$
29874
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.1349    5.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641    6.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4631    5.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1349    3.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4631    3.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641    3.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480    6.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    6.9581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382    8.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1154    8.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121    5.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
29874

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H19NO2

>  <Molecular Weight (nearest integer)>
185

$$$$
37408
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.1330    0.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695   -3.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596    0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1577    0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596   -1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1577   -1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330   -1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513   -0.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586   -1.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4567    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    2.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <NSC>
37408

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6272-27-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6O4

>  <Molecular Weight (nearest integer)>
166

>  <dtpname:Chemical Name>
6,7-Dihydroxycoumaranon

>  <dtpname:Chemical Name>
6,7-Dihydroxycoumaranone

>  <dtpname:Chemical Name>
6,7-Dihydroxy-3-coumaranone

>  <dtpname:9th C.I.>
3(2H)-Benzofuranone, 6,7-dihydroxy-

>  <dtpname:8th C.I.>
3(2H)-Benzofuranone, 6,7-dihydroxy-

$$$$
43512
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.2030    7.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6665    6.0852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7764    0.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3921    6.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0931    5.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6912    5.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0931    4.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6912    4.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3921    3.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6665    3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7848    4.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2030    2.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7764    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0846    1.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2030   -0.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5628   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
43512

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3671-00-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16N2

>  <Molecular Weight (nearest integer)>
200

>  <dtpname:Chemical Name>
Indole, 3-(1-methyl-3-pyrrolidinyl)-

>  <dtpname:9th C.I.>
1H-Indole, 3-(1-methyl-3-pyrrolidinyl)-

$$$$
30041
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <NSC>
30041

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7250-52-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8N2O

>  <Molecular Weight (nearest integer)>
136

$$$$
75071
  CML DOM 09261310112D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.5221   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
>  <NSC>
75071

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19064-67-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H3ClN2O

>  <Molecular Weight (nearest integer)>
131

>  <dtpname:Chemical Name>
3-Chloro-6-pyridazone

>  <dtpname:Chemical Name>
6-Chloro-3(2H)pyridazinone

>  <dtpname:Chemical Name>
3-Chloro-6-hydroxypyridazine

>  <dtpname:Chemical Name>
3-Hydroxy-6-chloropyridazine

>  <dtpname:Chemical Name>
6-Chloro-3-hydroxypyridazine

>  <dtpname:9th C.I.>
3(2H)-Pyridazinone, 6-chloro-

>  <dtpname:8th C.I.>
3(2H)-Pyridazinone, 6-chloro-

$$$$
200686
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.9128    0.6068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763    2.0334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628    2.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4493    2.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128    0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2945   -0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4176    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8442    1.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9589    0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
200686

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13435-22-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H14N2

>  <Molecular Weight (nearest integer)>
138

>  <dtpname:Chemical Name>
1H-Imidazole, 1-butyl-2-methyl-

$$$$
10427
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6110    0.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5012   -1.5373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0746   -1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610   -1.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475   -1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1110    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5620   -5.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -6.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5620   -4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361   -5.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -3.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361   -4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -3.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -6.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
10427

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5418-24-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12O2

>  <Molecular Weight (nearest integer)>
188

$$$$
13213
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.2231   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1  4  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
13213

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13535-92-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9N3O

>  <Molecular Weight (nearest integer)>
187

$$$$
16873
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -9.6192   -3.3319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9274   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6155   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4020   -4.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8692   -4.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
16873

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4736-30-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10O3

>  <Molecular Weight (nearest integer)>
190

$$$$
27389
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
27389

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5466-89-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O3

>  <Molecular Weight (nearest integer)>
180

>  <dtpname:Chemical Name>
U 0521

>  <dtpname:Chemical Name>
Isobutyrophenone, 3',4'-dihydroxy-

>  <dtpname:Chemical Name>
3',4'-Dihydroxy-2-methylpropiophenone

>  <dtpname:Chemical Name>
3',4'-Dihydroxy-.alpha.-methylpropiophenone

>  <dtpname:Chemical Name>
Propiophenone, 3',4'-dihydroxy-.alpha.-methyl-

>  <dtpname:9th C.I.>
1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-

>  <dtpname:8th C.I.>
Propiophenone, 3',4'-dihydroxy-2-methyl-

$$$$
31712
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
31712

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
703-95-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H3FN2O4

>  <Molecular Weight (nearest integer)>
174

>  <dtpname:Chemical Name>
FO

>  <dtpname:Chemical Name>
FOA

>  <dtpname:Chemical Name>
WR 152520

>  <dtpname:Chemical Name>
ENT-26398

>  <dtpname:Chemical Name>
NSC 31712

>  <dtpname:Chemical Name>
Ro 2-9945

>  <dtpname:Chemical Name>
5-Fluoroorotate

>  <dtpname:Chemical Name>
Fluoroorotic acid

>  <dtpname:Chemical Name>
Orotic acid, 5-fluoro-

>  <dtpname:Chemical Name>
1,2,3,6-Tetrahydro-2,6-dioxo-5-fluoro-4-pyrimidinecarboxylic acid

>  <dtpname:Chemical Name>
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-5-fluoro-

>  <dtpname:Chemical Name>
WLN: T6VMVMJ EVQ FF

>  <dtpname:9th C.I.>
4-Pyrimidinecarboxylic acid, 5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-

>  <dtpname:8th C.I.>
Orotic acid, 5-fluoro-

>  <dtpname:8th C.I.>
Orotic acid, 5-fluoro-

>  <dtpname:VAN>
5-Fluoroorotic acid

>  <dtpname:VAN>
Orotic acid, 5-fluoro-

>  <dtpname:VAN>
Orotic acid, 5-fluoro-

$$$$
37883
  CML DOM 09261310112D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.7500   -6.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -6.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
37883

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64037-65-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H17NOS

>  <Molecular Weight (nearest integer)>
187

>  <dtpname:9th C.I.>
Butanamide, 2-ethyl-2-(2-propenylthio)-

$$$$
43546
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5200    0.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8903    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -1.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4884    0.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1894    0.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1894    2.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2663   -1.7303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163   -0.4313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7874    0.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7874    2.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8482   -2.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
43546

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7251-53-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N2O3

>  <Molecular Weight (nearest integer)>
156

$$$$
38968
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.3750    2.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
38968

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
140-31-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H15N3

>  <Molecular Weight (nearest integer)>
129

>  <dtpname:Chemical Name>
Usaf do-46

>  <dtpname:Chemical Name>
Aminoethylpiperazine

>  <dtpname:Chemical Name>
1-Aminoethylpiperazine

>  <dtpname:Chemical Name>
1-Piperazineethylamine

>  <dtpname:Chemical Name>
N-(Aminoethyl)piperazine

>  <dtpname:Chemical Name>
1-(2-Aminoethyl)piperazine

>  <dtpname:Chemical Name>
N-(2-Aminoethyl)piperazine

>  <dtpname:Chemical Name>
N-(.beta.-Aminoethyl)piperazine

>  <dtpname:Chemical Name>
WLN: T6M DNTJ D2Z

>  <dtpname:DOT Name>
N-Aminoethylpiperazine

>  <dtpname:9th C.I.>
1-Piperazineethanamine

>  <dtpname:8th C.I.>
Piperazine, 1-(2-aminoethyl)-

$$$$
113532
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
M  END
>  <NSC>
113532

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17513-09-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7N3

>  <Molecular Weight (nearest integer)>
145

$$$$
679449
  CML DOM 09261310112D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.1186   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -6.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128   -4.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1126   -4.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192   -5.4636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7406   -4.2479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166   -3.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3203   -1.7079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9973   -5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <NSC>
679449

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N4

>  <Molecular Weight (nearest integer)>
136

>  <dtpname:Chemical Name>
1-Cyano-2,3,7-triaza-bicyclo[3.3.0]oct-2-ene

$$$$
10772
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.9749   -9.5541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7249   -8.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2249   -8.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9749   -6.9560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4749   -6.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7249   -8.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7249   -5.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2249   -5.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549   -6.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341   -4.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959   -4.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2332   -5.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
10772

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5415-76-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O

>  <Molecular Weight (nearest integer)>
178

$$$$
14767
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
14767

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H11N3OS

>  <Molecular Weight (nearest integer)>
185

>  <dtpname:Chemical Name>
SKF 6003

>  <dtpname:Chemical Name>
Ethioprim

>  <dtpname:Chemical Name>
5-Pyrimidinemethanol, 4-amino-2-(ethylthio)-

$$$$
17796
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  4  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
17796

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
875-67-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6N2S

>  <Molecular Weight (nearest integer)>
162

>  <dtpname:Chemical Name>
4-Cinnolinethiol

$$$$
27626
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.4591   -4.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -2.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0291   -1.5504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -2.9770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -4.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -4.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -5.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -7.1905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -7.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7581   -7.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0571   -7.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
27626

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6334-90-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N4S

>  <Molecular Weight (nearest integer)>
194

$$$$
34012
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.6011    4.5043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146    5.3859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646    3.0777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281    4.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646    3.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1829    1.8641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547    4.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694    3.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960    4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575    2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
34012

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52057-89-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H11N3S

>  <Molecular Weight (nearest integer)>
157

$$$$
40840
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
40840

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H8N4S

>  <Molecular Weight (nearest integer)>
156

$$$$
43805
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -7.8373    0.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8737   -0.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6237    1.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4102    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3737   -0.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6237    3.1675    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -7.9228    3.9175    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3247    3.9175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9921   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9836    1.2494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808   -1.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423    0.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  CHG  2   6   1   7  -1
M  END
>  <NSC>
43805

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H8N6O2

>  <Molecular Weight (nearest integer)>
184

$$$$
42633
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
42633

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1802-20-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H15N

>  <Molecular Weight (nearest integer)>
149

$$$$
122276
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.3505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
122276

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20348-09-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6N2O2

>  <Molecular Weight (nearest integer)>
150

$$$$
4135
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -7.3761    3.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9742    3.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3761    1.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9742    1.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0770    0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6751    0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4530   -1.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9202   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6751    3.7584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7067    1.3685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7030    0.2538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112    0.4106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8429   -2.4155    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3511   -2.5723    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7246   -3.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  3  2  0  0  0  0
  2  9  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
4135

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
72430-94-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6N4O2

>  <Molecular Weight (nearest integer)>
190

>  <dtpname:Chemical Name>
3-Nitro-5-(3-pyridyl)pyrazole

>  <dtpname:Chemical Name>
Pyrazole, 3-nitro-5-(3-pyridyl)-

>  <dtpname:9th C.I.>
Pyridine, 3-(5-nitro-1H-pyrazol-3-yl)-

$$$$
9441
  CML DOM 09261310112D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.8363    1.2238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.9476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.2462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5522   -1.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9148   -2.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6770   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392    0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7013    1.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    0.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595    3.4519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101   -1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722   -3.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
9441

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C3H6N4O.C2H4O3

>  <Molecular Weight (nearest integer)>
190

$$$$
14771
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.1370   -3.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -8.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -3.0494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454   -1.6228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -5.0129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2553   -4.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7635   -4.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654   -5.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   -5.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9673   -7.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -5.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9837   -7.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0856   -8.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919   -6.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -8.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3  4  1  0  0  0  0
  5 16  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <NSC>
14771

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4496-30-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H6N2O2

>  <Molecular Weight (nearest integer)>
198

$$$$
18415
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   -3.2270    0.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730   -1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9497   -0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727   -1.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493   -0.2353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449    2.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961   -2.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5043    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9878    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998    4.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4592    3.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
18415

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
68839-60-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13NO2

>  <Molecular Weight (nearest integer)>
191

$$$$
28011
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.8565   -6.2833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454   -1.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454   -6.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -5.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -7.1237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -2.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -1.1237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444   -2.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3435   -3.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454   -3.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454   -4.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3434   -4.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444   -5.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527   -3.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527   -4.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8207   -4.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 10  2  1  6  0  0  0
 11  3  1  6  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
28011

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H18N2

>  <Molecular Weight (nearest integer)>
154

$$$$
34210
  CML DOM 09261310112D

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    3.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
34210

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H19NO

>  <Molecular Weight (nearest integer)>
157

$$$$
41331
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
41331

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6307-45-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H13N3OS

>  <Molecular Weight (nearest integer)>
199

$$$$
44680
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.5712    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3212    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6692    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3702    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
44680

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6299-50-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H17NO

>  <Molecular Weight (nearest integer)>
155

$$$$
47881
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
47881

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2580-58-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H11N3O2

>  <Molecular Weight (nearest integer)>
145

$$$$
123797
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.0173    2.5336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4809    3.9602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2673    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0538    3.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    2.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272    4.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7994    4.8872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6357    1.3201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9074    4.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0222    3.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2193    5.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  3  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
123797

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
89897-29-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H10N4

>  <Molecular Weight (nearest integer)>
150

$$$$
4426
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
4426

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5397-05-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H13N5

>  <Molecular Weight (nearest integer)>
191

$$$$
9489
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.9462   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 12  1  0  0  0  0
  2  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
9489

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1437-15-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2

>  <Molecular Weight (nearest integer)>
182

$$$$
15133
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.9461   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
15133

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5463-17-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H17NO2

>  <Molecular Weight (nearest integer)>
171

$$$$
19219
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.3481    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  9  1  0  0  0  0
  2 12  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
19219

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5444-92-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O

>  <Molecular Weight (nearest integer)>
198

$$$$
28837
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.9462    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
28837

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57928-04-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15N

>  <Molecular Weight (nearest integer)>
161

$$$$
34794
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.3716   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2168   -3.5852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5852   -0.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3352   -2.3717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8352   -2.3717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2253   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3400   -1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7666   -1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0784    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9637    1.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5371    0.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451   -0.4815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
34794

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4922-98-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N4

>  <Molecular Weight (nearest integer)>
160

>  <dtpname:Chemical Name>
1H-1,2,4-Triazole, 3-amino-5-phenyl-

>  <dtpname:9th C.I.>
1H-1,2,4-Triazol-3-amine, 5-phenyl-

$$$$
42021
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
42021

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6308-33-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H15N3S

>  <Molecular Weight (nearest integer)>
197

$$$$
44819
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.7500    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601    4.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    4.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    1.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
44819

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6299-58-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H13N3OS

>  <Molecular Weight (nearest integer)>
199

$$$$
48231
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.4457   -2.2331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4457   -3.7331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6957   -6.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6592   -4.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1957   -6.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -4.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8056   -4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6908   -5.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7357   -4.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -2.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0671   -2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
48231

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6638-46-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H14N2

>  <Molecular Weight (nearest integer)>
138

$$$$
135857
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.8713    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3713    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3713    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107    3.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4320    3.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8809    2.9224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
135857

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31309-40-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H18N2

>  <Molecular Weight (nearest integer)>
142

$$$$
4936
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.1086   -6.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8096   -6.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105   -3.8155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105   -8.3155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151   -4.1020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -5.3155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115   -4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115   -6.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105   -6.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151   -6.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8096   -4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1086   -3.8155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6786   -2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
4936

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5399-91-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H7N5O

>  <Molecular Weight (nearest integer)>
165

$$$$
11128
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.3201    1.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    0.2091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836    0.2091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    4.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1737    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7102    3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6372    0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6003    2.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7150    1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7113    0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7187    2.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8297    0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <NSC>
11128

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H19N5

>  <Molecular Weight (nearest integer)>
197

$$$$
15776
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.5113   -2.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1920   -3.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2978   -3.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7248   -3.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1957   -4.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2613   -5.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7322   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2650   -6.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7613   -5.1888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796   -6.4023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8712   -3.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593   -1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327   -1.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -2.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299   -3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7565   -4.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
15776

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
948-65-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11N

>  <Molecular Weight (nearest integer)>
193

>  <dtpname:Chemical Name>
Stabilizer I

>  <dtpname:Chemical Name>
2-Phenylindole

>  <dtpname:Chemical Name>
2-Phenyl-1H-indole

>  <dtpname:Chemical Name>
.alpha.-Phenylindole

>  <dtpname:9th C.I.>
1H-Indole, 2-phenyl-

>  <dtpname:8th C.I.>
Indole, 2-phenyl-

$$$$
19848
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  5  1  0  0  0  0
  2 12  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
19848

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4006-50-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N2

>  <Molecular Weight (nearest integer)>
188

$$$$
29193
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.6660    4.3855    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669    6.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9321    4.3855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9321    2.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    7.0991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213    8.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    4.6720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213    3.2454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0394    5.8855    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9321    7.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    6.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    5.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394    5.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669    5.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 10  2  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
29193

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7390-60-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H4N4S2

>  <Molecular Weight (nearest integer)>
184

>  <dtpname:Chemical Name>
Purine-2,8-dithiol

$$$$
34983
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
34983

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17NO

>  <Molecular Weight (nearest integer)>
191

$$$$
42028
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.3095    5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3095    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6085    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2066    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5056    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9075    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6085    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2066    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5056    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
42028

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6308-38-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H6N2S2

>  <Molecular Weight (nearest integer)>
158

>  <dtpname:9th C.I.>
2,4(1H,3H)-Pyrimidinedithione, 6-methyl-

$$$$
45117
  CML DOM 09261310112D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -6.5019   -2.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7606   -2.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3679   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0689   -1.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6423   -0.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6670   -1.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0689   -2.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6670   -2.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3679   -3.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6423   -3.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3679    0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2606   -2.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -3.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
45117

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H19NO

>  <Molecular Weight (nearest integer)>
181

$$$$
51787
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.3095   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2066   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5056   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5056   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2066   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2066   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
51787

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2439-04-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7NO

>  <Molecular Weight (nearest integer)>
145

>  <dtpname:Chemical Name>
5-Isoquinolinol

$$$$
148304
  CML DOM 09261310112D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -6.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <NSC>
148304

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32900-09-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H12N2S

>  <Molecular Weight (nearest integer)>
144

>  <dtpname:Chemical Name>
N-Allyl-N'-ethylthiourea

>  <dtpname:8th C.I.>
Urea, 1-allyl-3-ethyl-2-thio-

$$$$
5784
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.7500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
5784

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
614-23-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N2OS

>  <Molecular Weight (nearest integer)>
180

>  <dtpname:Chemical Name>
Necacyl

>  <dtpname:Chemical Name>
Benzoylthiourea

>  <dtpname:Chemical Name>
N-Benzoylthiourea

>  <dtpname:Chemical Name>
1-Benzoyl-2-thiourea

>  <dtpname:Chemical Name>
Benzamide, N-thiocarbamoyl-

>  <dtpname:Chemical Name>
WLN: SUYZMVR

>  <dtpname:9th C.I.>
Benzamide, N-(aminothioxomethyl)-

>  <dtpname:8th C.I.>
Urea, 1-benzoyl-2-thio-

$$$$
11141
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <NSC>
11141

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
826-54-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13NO

>  <Molecular Weight (nearest integer)>
163

$$$$
16021
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.4391    0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400    0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7381    0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400   -1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7381   -1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0371    0.7742    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4391   -2.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4390   -3.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8410   -2.2258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8410    0.7742    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  9  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <NSC>
16021

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5437-33-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H3Cl2NO

>  <Molecular Weight (nearest integer)>
164

>  <dtpname:Chemical Name>
3,5-Dichloro-2-pyridone

>  <dtpname:Chemical Name>
2(1H)-Pyridone, 3,5-dichloro-

>  <dtpname:9th C.I.>
2(1H)-Pyridinone, 3,5-dichloro-

$$$$
20559
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -7.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -7.2452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -9.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
20559

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5441-02-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11N3O2

>  <Molecular Weight (nearest integer)>
193

$$$$
29629
  CML DOM 09261310112D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.3201    1.6357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    4.0173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1737    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7150    1.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <NSC>
29629

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3484-91-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H9NOS2

>  <Molecular Weight (nearest integer)>
163

$$$$
35534
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.3236    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -0.4755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473    2.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -0.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5289    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -2.7255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
35534

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H3N5O3

>  <Molecular Weight (nearest integer)>
181

$$$$
42774
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.3750    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9779    8.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4452    8.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1952    7.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1915    6.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
42774

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6302-13-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N2

>  <Molecular Weight (nearest integer)>
172

$$$$
45641
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -7.1577    1.2335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586   -1.0165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586   -2.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330    1.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695    3.1237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330   -0.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    1.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596    1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596   -0.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513    0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1577   -0.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1577    5.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    6.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4567    6.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1577    4.2335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8586    3.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
45641

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N6

>  <Molecular Weight (nearest integer)>
190

$$$$
54260
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    3.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    4.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
54260

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
644-40-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H6N6

>  <Molecular Weight (nearest integer)>
150

$$$$
149877
  CML DOM 09261310112D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <NSC>
149877

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3174-02-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H10N2

>  <Molecular Weight (nearest integer)>
122

$$$$
7606
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.8875    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876   -0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5437   -1.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9944    2.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897    0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399   -3.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796    2.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4428    0.8330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9498   -1.0696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990   -1.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0633    1.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1884    0.7258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8863   -0.4786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
7606

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
97-59-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H6N4O3

>  <Molecular Weight (nearest integer)>
158

>  <dtpname:Chemical Name>
Alantan

>  <dtpname:Chemical Name>
Sebical

>  <dtpname:Chemical Name>
Allantol

>  <dtpname:Chemical Name>
ALLANTOIN

>  <dtpname:Chemical Name>
Cordianine

>  <dtpname:Chemical Name>
Glyoxyldiureid

>  <dtpname:Chemical Name>
Glyoxyldiureide

>  <dtpname:Chemical Name>
5-Ureidohydantoin

>  <dtpname:Chemical Name>
AVC/Dienestrolcream

>  <dtpname:Chemical Name>
Hydantoin, 5-ureido-

>  <dtpname:9th C.I.>
Urea, (2,5-dioxo-4-imidazolidinyl)-

>  <dtpname:8th C.I.>
Allantoin

$$$$
11470
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1495    2.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  2  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4 11  2  0  0  0  0
  5 14  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
11470

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1135-32-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2

>  <Molecular Weight (nearest integer)>
182

>  <dtpname:Chemical Name>
1,2-Di-4-pyridylethene

>  <dtpname:Chemical Name>
4,4'-Vinylenedipyridine

>  <dtpname:Chemical Name>
1,2-Bis(4-pyridyl)ethylene

>  <dtpname:Chemical Name>
4-(4-Pyridylvinyl)pyridine

>  <dtpname:Chemical Name>
WLN: T6NJ D1U1- DT6NJ

>  <dtpname:9th C.I.>
Pyridine, 4,4'-(1,2-ethenediyl)bis-

>  <dtpname:8th C.I.>
Pyridine, 4,4'-vinylenedi-

$$$$
16162
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -6.1135   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8145   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4126   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8145   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4126   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4126   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8145   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
16162

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
89-50-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11NO2

>  <Molecular Weight (nearest integer)>
165

>  <dtpname:Chemical Name>
N-Ethylanthranilic acid

>  <dtpname:9th C.I.>
Benzoic acid, 2-(ethylamino)-

>  <dtpname:8th C.I.>
Anthranilic acid, N-ethyl-

$$$$
22847
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.6951   -2.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4815   -3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9086   -3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9450   -4.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4450   -4.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -2.2441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4815   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315    0.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9815   -0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -4.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977   -3.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9544   -5.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
22847

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4854-46-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H13NO3

>  <Molecular Weight (nearest integer)>
171

$$$$
29851
  CML DOM 09261310112D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.6227    1.5904    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909   -0.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1609    0.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1974    1.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8848   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170    0.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895   -0.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8293   -1.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783    0.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6654   -2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <NSC>
29851

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91982-68-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H9NOS

>  <Molecular Weight (nearest integer)>
155

>  <dtpname:Chemical Name>
2H-Cyclopenta[d]thiazol-2-one, 3,4,5,6-tetrahydro-3-methyl-

$$$$
35679
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.2745    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
35679

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
230-46-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N2

>  <Molecular Weight (nearest integer)>
180

$$$$
43013
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.7215   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -6.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
43013

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6310-04-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N2S2

>  <Molecular Weight (nearest integer)>
172

$$$$
45719
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -8.3195   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
45719

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6632-63-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H5ClN2OS

>  <Molecular Weight (nearest integer)>
177

$$$$
46273
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.0501   -2.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500   -4.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3001   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9918   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9918   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5501   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3001   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4491   -2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4491   -4.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8819   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8819   -6.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <NSC>
46273

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H18O3

>  <Molecular Weight (nearest integer)>
198

$$$$
55573
  CML DOM 09261310112D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -0.4755    2.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    2.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    4.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    4.9216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
55573

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65591-48-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H13NO3

>  <Molecular Weight (nearest integer)>
171

$$$$
60373
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.2231    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
60373

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15770-38-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H21NO

>  <Molecular Weight (nearest integer)>
183

>  <dtpname:Chemical Name>
1-Hexanoylpiperidine

>  <dtpname:Chemical Name>
N-Hexanoyl(piperidine)

>  <dtpname:9th C.I.>
Piperidine, 1-(1-oxohexyl)-

>  <dtpname:8th C.I.>
Piperidine, 1-hexanoyl-

$$$$
63311
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
63311

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19N

>  <Molecular Weight (nearest integer)>
189

$$$$
73482
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
73482

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
229-87-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9N

>  <Molecular Weight (nearest integer)>
179

>  <dtpname:Chemical Name>
6-Phenanthridine

>  <dtpname:Chemical Name>
Benzo[c]quinoline

>  <dtpname:Chemical Name>
5-Azaphenanthrene

>  <dtpname:Chemical Name>
9-Azaphenanthrene

>  <dtpname:Chemical Name>
3,4-Benzoquinoline

>  <dtpname:Chemical Name>
3,4-Benzoisoquinoline

>  <dtpname:9th C.I.>
Phenanthridine

>  <dtpname:8th C.I.>
Phenanthridine

$$$$
79010
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.2207    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473    2.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5289    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1108   -1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <NSC>
79010

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4919-15-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11N3

>  <Molecular Weight (nearest integer)>
161

>  <dtpname:8th C.I.>
s-Triazolo[4,3-a]pyridine, 3,5,7-trimethyl-

$$$$
83345
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.5221    5.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    8.6131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651   10.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    6.1860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6833    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3  4  1  0  0  0  0
  5 17  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
83345

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4875-39-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N3

>  <Molecular Weight (nearest integer)>
199

$$$$
93260
  CML DOM 09261310112D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -0.2745    3.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9755    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <NSC>
93260

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32833-36-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H19NO

>  <Molecular Weight (nearest integer)>
157

$$$$
102509
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.5712    2.3505    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2 10  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
102509

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57797-97-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H6ClNO

>  <Molecular Weight (nearest integer)>
180

$$$$
109528
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
109528

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
76315-61-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13NO3

>  <Molecular Weight (nearest integer)>
195

$$$$
47496
  CML DOM 09261310112D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.5000   -2.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -4.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.6135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -5.9126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -5.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -4.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -5.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -7.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <NSC>
47496

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4041-95-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H20N2S

>  <Molecular Weight (nearest integer)>
188

>  <dtpname:Chemical Name>
1,3-Di-tert-butylthiourea

>  <dtpname:Chemical Name>
N,N'-Di-tert-butylthiourea

>  <dtpname:Chemical Name>
1,3-Di-tert-butyl-2-thiourea

>  <dtpname:9th C.I.>
Thiourea, N,N'-bis(1,1-dimethylethyl)-

>  <dtpname:8th C.I.>
Urea, 1,3-di-tert-butyl-2-thio-

$$$$
53506
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.3750    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
53506

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6938-06-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13NO2

>  <Molecular Weight (nearest integer)>
179

>  <dtpname:Chemical Name>
Ba 2674

>  <dtpname:Chemical Name>
Butyl nicotinate

>  <dtpname:Chemical Name>
Nicotinic acid butyl ester

>  <dtpname:Chemical Name>
WLN: T6NJ CVO4

>  <dtpname:9th C.I.>
3-Pyridinecarboxylic acid, butyl ester

>  <dtpname:8th C.I.>
Nicotinic acid, butyl ester

$$$$
60377
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.2754    2.8938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619    3.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    2.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3119    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8119    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020    3.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    2.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138    4.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4404    5.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5551    4.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9817    4.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0964    3.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
60377

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3389-56-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H19NO

>  <Molecular Weight (nearest integer)>
169

$$$$
63314
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
63314

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19N

>  <Molecular Weight (nearest integer)>
189

$$$$
75585
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -7.6283   -0.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3165   -2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1029   -4.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5702   -4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3202   -3.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
75585

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7697-46-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9NO

>  <Molecular Weight (nearest integer)>
171

$$$$
79582
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.9462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7500    4.6471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  2   7  -1   8   1
M  END
>  <NSC>
79582

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6141-98-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N2O

>  <Molecular Weight (nearest integer)>
196

>  <dtpname:Chemical Name>
Benzocinnoline N-oxide

>  <dtpname:Chemical Name>
Benzo[c]cinnoline 5-oxide

>  <dtpname:Chemical Name>
Benzo[c]cinnoline N-oxide

>  <dtpname:Chemical Name>
Benzo[c]cinnoline, N-oxide

>  <dtpname:9th C.I.>
Benzo[c]cinnoline, 5-oxide

>  <dtpname:8th C.I.>
Benzo[c]cinnoline, 5-oxide

$$$$
84200
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
84200

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17596-11-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H19NO

>  <Molecular Weight (nearest integer)>
169

$$$$
96979
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.7471    1.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    2.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3200    1.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1737    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7150    1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8297    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2563    1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6829    1.4824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
M  END
>  <NSC>
96979

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71888-57-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H16N2

>  <Molecular Weight (nearest integer)>
152

>  <dtpname:Chemical Name>
1-Pyrrolidinevaleronitrile

$$$$
104969
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.6471    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
104969

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17326-18-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7ClN2O

>  <Molecular Weight (nearest integer)>
195

$$$$
62840
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
62840

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26872-84-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H17NO2

>  <Molecular Weight (nearest integer)>
171

$$$$
48422
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
48422

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5386-23-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11NO

>  <Molecular Weight (nearest integer)>
173

$$$$
54834
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -7.0655   -1.0739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0655    0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665    1.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408    0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4674    0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4674   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665   -1.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5427    0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5785    1.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773   -2.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <NSC>
54834

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H19NO

>  <Molecular Weight (nearest integer)>
181

$$$$
60530
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.6563   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -3.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
60530

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H5N7

>  <Molecular Weight (nearest integer)>
151

$$$$
64952
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.7141   -6.0766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -3.5353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834   -7.8151    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5068   -1.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5068   -2.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7203   -3.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568   -5.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432   -5.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068   -3.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2469   -6.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1777   -4.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
64952

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3680-69-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H4ClN3

>  <Molecular Weight (nearest integer)>
154

$$$$
75786
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.2626    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355    2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891    2.6401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  2  5  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
75786

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
826-85-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9N3

>  <Molecular Weight (nearest integer)>
159

>  <dtpname:Chemical Name>
1-Phenyl-5-aminopyrazole

>  <dtpname:Chemical Name>
5-Amino-1-phenylpyrazole

>  <dtpname:9th C.I.>
1H-Pyrazol-5-amine, 1-phenyl-

>  <dtpname:8th C.I.>
Pyrazole, 5-amino-1-phenyl-

$$$$
80807
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.6644    5.5420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7663    4.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2745   -1.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -1.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2745    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7791    6.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0782    5.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245    2.8726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745    1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745    1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0245    2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
80807

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19789-91-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6N2O3S

>  <Molecular Weight (nearest integer)>
198

$$$$
85331
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.0490    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    2.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
85331

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1195-67-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H16N3OP

>  <Molecular Weight (nearest integer)>
177

>  <dtpname:Chemical Name>
1-Aziridinylbis(dimethylamino)phosphine oxide

>  <dtpname:Chemical Name>
p-1-Aziridinyl-N,N,N',N'-tetramethylphosphine oxide

>  <dtpname:Chemical Name>
P-1-Aziridinyl-N,N,N',N'-tetramethylphosphonic diamide

>  <dtpname:Chemical Name>
P-1-Aziridinyl-N,N,N',N'-tetramethylaminophosphine oxide

>  <dtpname:9th C.I.>
Phosphonic diamide, P-1-aziridinyl-N,N,N',N'-tetramethyl-

>  <dtpname:8th C.I.>
Phosphonic diamide, P-1-aziridinyl-N,N,N',N'-tetramethyl-

$$$$
97090
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.6145    3.5112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6846    5.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6846    4.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9836    6.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9836    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9836    2.0112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    4.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    5.7612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7092    6.2248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7092    3.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5909    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9836    8.0112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
97090

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35186-69-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H5N5O

>  <Molecular Weight (nearest integer)>
151

>  <dtpname:Chemical Name>
7-Amino-s-triazolo[1,5-a]pyrimidin-5(4H)-one

>  <dtpname:Chemical Name>
s-Triazolo[1,5-a]pyrimidin-5(4H)-one, 7-amino-

>  <dtpname:Chemical Name>
4,5-Dihydro-7-amino-5-oxo-S-triazolo[1,5-a]pyrimidine

>  <dtpname:9th C.I.>
[1,2,4]Triazolo[1,5-a]pyrimidin-5(1H)-one, 7-amino-

$$$$
106045
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.2954   -0.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3544   -3.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524   -4.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0583   -0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2063   -1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4957   -1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5321   -2.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1172   -3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8805   -1.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170   -2.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6408   -4.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -4.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218   -2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786   -1.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
106045

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
72031-11-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H17NO3

>  <Molecular Weight (nearest integer)>
187

$$$$
41833
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.7215   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7214   -6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  3  8  2  0  0  0  0
  3  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <NSC>
41833

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3977-29-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H7N3O

>  <Molecular Weight (nearest integer)>
125

>  <dtpname:Chemical Name>
Superacyl

>  <dtpname:Chemical Name>
Superacil

>  <dtpname:Chemical Name>
Mecytosine

>  <dtpname:Chemical Name>
6-Methylisocytosine

>  <dtpname:Chemical Name>
4-Methylisocytosine

>  <dtpname:Chemical Name>
2-Amino-6-methylpyrimidin-4-ol

>  <dtpname:9th C.I.>
4(1H)-Pyrimidinone, 2-amino-6-methyl-

>  <dtpname:8th C.I.>
4(1H)-Pyrimidinone, 2-amino-6-methyl-

$$$$
49252
  CML DOM 09261310112D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.4910    5.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    5.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    6.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2590    6.5004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0090    5.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5090    5.2014    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2590    3.9023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    3.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    2.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
49252

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6601-20-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H12N2S

>  <Molecular Weight (nearest integer)>
156

>  <dtpname:Chemical Name>
ALLYL THIOUREA

>  <dtpname:Chemical Name>
Diallylthiourea

>  <dtpname:Chemical Name>
1,3-Diallylthiourea

>  <dtpname:Chemical Name>
N,N'-Diallylthiourea

>  <dtpname:Chemical Name>
Bisallylthiocarbamide

>  <dtpname:Chemical Name>
1,3-Diallyl-2-thiourea

>  <dtpname:Chemical Name>
N,N'-Bis-allylthiourea

>  <dtpname:Chemical Name>
1,1,3-Triallyl-2-thiourea

>  <dtpname:Chemical Name>
2-Thio-1,1,3-triallylurea

>  <dtpname:Chemical Name>
Urea, 2-thio-1,1,3-triallyl-

>  <dtpname:Chemical Name>
WLN: 1U2MYUS&M2U1

>  <dtpname:9th C.I.>
Thiourea, N,N'-di-2-propenyl-

>  <dtpname:8th C.I.>
Urea, 1,3-diallyl-2-thio-

$$$$
55957
  CML DOM 09261310112D

 16 15  0  0  0  0  0  0  0  0999 V2000
    5.5245   -2.3235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245   -2.3235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0245    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    1.5735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745    1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0245   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7745   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
55957

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6951-82-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N2O4

>  <Molecular Weight (nearest integer)>
198

$$$$
60548
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5520   -0.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2988   -0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3973    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4544   -0.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914    1.0988    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530   -1.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6669    1.4391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707    1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8534   -1.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0486    0.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <NSC>
60548

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6628-19-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H5NO4S

>  <Molecular Weight (nearest integer)>
175

$$$$
66241
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.2988    4.2136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1437    2.9742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215   -0.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6270    3.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7266    2.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6145    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3751   -0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9135   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5116   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5116   -1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9135   -1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937    1.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5987   -1.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
66241

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1706-26-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N2O

>  <Molecular Weight (nearest integer)>
200

$$$$
75846
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.9462    3.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529    3.8888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9509    5.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519    6.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529    5.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9509    3.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519    3.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    6.7984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4282    5.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    3.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923    6.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
75846

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
84100-51-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H15N3O

>  <Molecular Weight (nearest integer)>
157

$$$$
81462
  CML DOM 09261310112D

 13 15  0  0  0  0  0  0  0  0999 V2000
    5.4391    0.7258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390    3.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381    2.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381    1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410   -0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371   -0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381   -1.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4391   -0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371    0.7258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400   -1.5242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    2.9758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
81462

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10553-85-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H18N4

>  <Molecular Weight (nearest integer)>
182

>  <dtpname:Chemical Name>
Dodecahydro-1,4,7,9b-tetrazaphenalin

>  <dtpname:Chemical Name>
Dodecahydro-1,4,7,9b-tetraazaphenalene

>  <dtpname:Chemical Name>
1,4,7,9B-Tetraazaphenalene, dodecahydro-

>  <dtpname:Chemical Name>
WLN: T666 1A M BNM GM KMTJ

>  <dtpname:9th C.I.>
1,4,7,9b-Tetraazaphenalene, dodecahydro-

>  <dtpname:8th C.I.>
1,4,7,9b-Tetraazaphenalene, dodecahydro-

$$$$
88882
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1  5  1  0  0  0  0
  2 12  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
88882

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
528-71-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N2O

>  <Molecular Weight (nearest integer)>
196

>  <dtpname:Chemical Name>
Pyoxanthose

>  <dtpname:Chemical Name>
Hemipyocyanin

>  <dtpname:Chemical Name>
Hemipyocyanine

>  <dtpname:Chemical Name>
1-Hydroxyphenazine

>  <dtpname:Chemical Name>
Phenazine, 1-hydroxy-

>  <dtpname:Chemical Name>
.alpha.-Hydroxyphenazine

>  <dtpname:Chemical Name>
1-Hydroxy-5,10-diazaanthracene

>  <dtpname:9th C.I.>
1-Phenazinol

>  <dtpname:8th C.I.>
1-Phenazinol

$$$$
97104
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.8817   -2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -4.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6073   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6073   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2054   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2054   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.6891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  3 10  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
97104

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73688-72-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N2S

>  <Molecular Weight (nearest integer)>
192

>  <dtpname:Chemical Name>
5,6-Dimethyl-2-mercaptomethylbenzimidazole

>  <dtpname:Chemical Name>
Benzimidazole-2-methanethiol, 5,6-dimethyl-

>  <dtpname:Chemical Name>
Benzimidazole, 5,6-dimethyl-2-mercaptomethyl-

>  <dtpname:Chemical Name>
WLN: T56 BM DNJ C1SH G1 H1

>  <dtpname:9th C.I.>
1H-Benzimidazole-2-methanethiol, 5,6-dimethyl-

$$$$
106261
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
106261

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13NO2

>  <Molecular Weight (nearest integer)>
179

$$$$
16631
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <NSC>
16631

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
99-50-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6O4

>  <Molecular Weight (nearest integer)>
154

>  <dtpname:Chemical Name>
3,4-Dihydroxybenzoic acid

>  <dtpname:Chemical Name>
4-Carboxy-1,2-dihydroxybenzene

>  <dtpname:9th C.I.>
Benzoic acid, 3,4-dihydroxy-

>  <dtpname:8th C.I.>
Protocatechuic acid

$$$$
50751
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.8702   -2.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -2.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
50751

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26148-42-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N2O

>  <Molecular Weight (nearest integer)>
186

$$$$
56914
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.1202   -7.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
56914

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6947-27-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N4O3

>  <Molecular Weight (nearest integer)>
184

$$$$
62129
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.0352   -2.8879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169   -1.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9283   -4.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -2.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987   -4.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -4.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0826   -4.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4529   -4.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420   -6.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0258   -6.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6097   -6.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8123   -7.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961   -7.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9800   -6.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <NSC>
62129

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6972-56-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N2O

>  <Molecular Weight (nearest integer)>
184

$$$$
67307
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -6.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
67307

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6967-58-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H10N2S2

>  <Molecular Weight (nearest integer)>
186

$$$$
77422
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.7697   -4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -7.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
77422

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12N2O2S

>  <Molecular Weight (nearest integer)>
200

$$$$
82769
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
82769

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N2O2S

>  <Molecular Weight (nearest integer)>
172

$$$$
89720
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.0245    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
89720

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3724-19-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9NO2

>  <Molecular Weight (nearest integer)>
151

>  <dtpname:Chemical Name>
3-Pyridinepropionic acid

$$$$
97538
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -8.3817   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3817   -3.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8083   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8083   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.2626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
97538

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55100-03-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H19NO

>  <Molecular Weight (nearest integer)>
157

$$$$
108655
  CML DOM 09261310112D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245    2.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245    5.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245    5.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745    6.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745    4.1716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
108655

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
80017-20-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H17NO

>  <Molecular Weight (nearest integer)>
167

$$$$
20586
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <NSC>
20586

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6976-08-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12N6

>  <Molecular Weight (nearest integer)>
192

$$$$
50858
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.1604    3.9740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7705    2.6037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205    1.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3525    3.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2377    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0242    0.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6936    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6936   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124   -1.2773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
50858

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6327-45-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H14N2O2

>  <Molecular Weight (nearest integer)>
182

$$$$
57741
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.3481    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
57741

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N4

>  <Molecular Weight (nearest integer)>
174

$$$$
62318
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -7.4714    3.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723    5.9428    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723    1.4428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723   -0.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    4.1563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723    4.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733    3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733    2.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    2.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4714    2.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    0.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
62318

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90953-36-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N4S

>  <Molecular Weight (nearest integer)>
194

>  <dtpname:Chemical Name>
9H-Purine-6-thiol, 9-isopropyl-

>  <dtpname:Chemical Name>
6H-Purine-6-thione, 1,9-dihydro-9-(1-methylethyl)-

$$$$
68657
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.5209   -5.7008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -3.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -1.8109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455   -3.3109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2535   -4.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2535   -5.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -6.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8516   -5.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8516   -4.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1506   -6.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3074   -7.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7746   -8.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5246   -6.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8328   -4.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
68657

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3220-56-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O

>  <Molecular Weight (nearest integer)>
178

$$$$
77913
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.6740    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2849   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7767   -3.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3868   -2.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5267   -5.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267   -5.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7767   -6.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267   -7.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5267   -7.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7767   -6.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
77913

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4105-21-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2

>  <Molecular Weight (nearest integer)>
194

$$$$
83076
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.9240    1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
83076

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29681-45-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9NO2

>  <Molecular Weight (nearest integer)>
151

$$$$
91438
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.6740    1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
91438

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N2O3

>  <Molecular Weight (nearest integer)>
194

$$$$
99756
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.1175    1.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530    1.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873   -0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7092   -0.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232    1.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056   -1.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072   -0.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8029   -2.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5066   -1.7748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449    1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7251    0.6856    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1169    1.2449    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5135   -0.7994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
99756

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N2O4

>  <Molecular Weight (nearest integer)>
196

$$$$
109176
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.5881    4.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516    3.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333    1.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016    5.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0151    4.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516    3.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699    1.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    5.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5564    4.0041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    4.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0977    3.4639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2949    5.9348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
109176

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N4O2

>  <Molecular Weight (nearest integer)>
168

$$$$
40817
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.0671   -5.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7680   -5.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7680   -7.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0671   -8.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3661   -7.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3661   -5.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6651   -8.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2550   -4.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2908   -6.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7778   -4.1041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7875   -2.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  8  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <NSC>
40817

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H19NO

>  <Molecular Weight (nearest integer)>
193

$$$$
51093
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    5.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3284    7.7663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137    8.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5456    6.7791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7956    8.0782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  2  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
51093

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
92334-68-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H4N6O2

>  <Molecular Weight (nearest integer)>
180

$$$$
57890
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
57890

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7399-91-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N4O2

>  <Molecular Weight (nearest integer)>
194

$$$$
62511
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
62511

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H14O5

>  <Molecular Weight (nearest integer)>
190

$$$$
70717
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.2721   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987    1.8631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5804    0.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622   -1.9906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
70717

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5528-58-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7N3S

>  <Molecular Weight (nearest integer)>
165

$$$$
78609
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.8238    3.1860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873    1.7594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373    4.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508    3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7873    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6774    3.6496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7922    2.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2187    3.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4803    1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0537    0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7418   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
78609

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4100-29-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H7N3O2S

>  <Molecular Weight (nearest integer)>
173

$$$$
83237
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.4331    2.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659    3.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923    6.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3565    7.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054    5.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8337    7.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    5.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3468    6.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    4.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649    5.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659    4.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4640    3.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649    2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9770    5.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    4.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
83237

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51135-96-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17NO

>  <Molecular Weight (nearest integer)>
191

$$$$
92264
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -7.3894   -6.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9918   -2.7112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9918   -6.0817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6580   -7.5441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5200   -2.8964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5200   -1.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210   -5.1464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542   -3.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1050   -4.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4542   -5.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210   -3.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8191   -3.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8190   -5.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5200   -5.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3894   -1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
92264

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1489-01-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N4O

>  <Molecular Weight (nearest integer)>
176

$$$$
100729
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    4.5616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    2.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583    4.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  3 11  2  0  0  0  0
  3 10  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
100729

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1008-65-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6N2O2

>  <Molecular Weight (nearest integer)>
162

>  <dtpname:Chemical Name>
Viodor

>  <dtpname:Chemical Name>
JL 512

>  <dtpname:Chemical Name>
Hypnazol

>  <dtpname:Chemical Name>
Eudormil

>  <dtpname:Chemical Name>
J. L. 512

>  <dtpname:Chemical Name>
Fenadiazol

>  <dtpname:Chemical Name>
Fenadiazole

>  <dtpname:Chemical Name>
o-1,3,4-Oxadiazol-2-ylphenol

>  <dtpname:Chemical Name>
2-(1,3,4-Oxadiazol-2-yl)phenol

>  <dtpname:Chemical Name>
2-(o-Hydroxyphenyl)-1,3,4-oxadiazole

>  <dtpname:Chemical Name>
1,3,4-Oxadiazole, 2-(o-hydroxyphenyl)-

>  <dtpname:9th C.I.>
Phenol, 2-(1,3,4-oxadiazol-2-yl)-

>  <dtpname:8th C.I.>
Phenol, o-1,3,4-oxadiazol-2-yl-

$$$$
109231
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5736   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
  8 10  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
109231

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10350-10-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11NO4

>  <Molecular Weight (nearest integer)>
197

>  <dtpname:9th C.I.>
3-Pyridinecarboxylic acid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester

$$$$
42231
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.6490    8.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8990    4.2718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    2.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8990    6.8699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    6.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490    5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    4.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6490    5.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9572    4.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    4.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106    3.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490    8.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6594    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
42231

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6302-54-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H22N2

>  <Molecular Weight (nearest integer)>
182

$$$$
55459
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
55459

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6623-88-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H9ClN4O

>  <Molecular Weight (nearest integer)>
189

$$$$
60239
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
60239

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6627-85-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12O3

>  <Molecular Weight (nearest integer)>
192

$$$$
62609
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.2838    2.1846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3985    1.1809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6120   -0.9210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -2.5609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9427   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9427   -2.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436   -3.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6157    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1157    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8657    1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6157    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8657    1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1157    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  2  0  0  0  0
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  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
62609

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2208-59-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9N3

>  <Molecular Weight (nearest integer)>
195

$$$$
72292
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -4.4822   -1.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0144   -3.1594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117   -3.6107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896   -2.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -3.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2805   -5.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0070   -5.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6130   -6.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4809   -6.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
72292

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
487-03-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O

>  <Molecular Weight (nearest integer)>
198

>  <dtpname:Chemical Name>
Harmol

>  <dtpname:9th C.I.>
9H-Pyrido[3,4-b]indol-7-ol, 1-methyl-

>  <dtpname:8th C.I.>
9H-Pyrido[3,4-b]indol-7-ol, 1-methyl-

$$$$
78999
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.2380    0.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4344    2.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7334    2.9319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8481    1.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2380    0.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4880   -0.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7380    0.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
  1  4  1  0  0  0  0
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  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <NSC>
78999

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64679-65-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H7N3O2S

>  <Molecular Weight (nearest integer)>
173

$$$$
83339
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.7814    6.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7851    8.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870    7.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1120    6.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120    5.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111    7.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    5.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0351    9.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870    3.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    2.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452   10.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
83339

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1673-44-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9N3O2

>  <Molecular Weight (nearest integer)>
191

$$$$
92753
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.8178   -3.9788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4495   -0.4570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1995   -2.7652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0812   -3.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6630   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359   -1.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6995   -2.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656   -1.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859   -0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4495    1.0430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1504    1.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4130   -0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0333   -1.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <NSC>
92753

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H13N3OS

>  <Molecular Weight (nearest integer)>
187

$$$$
102025
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
102025

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53939-85-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H14N2OS

>  <Molecular Weight (nearest integer)>
198

$$$$
109292
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  3  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
109292

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20851-32-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6O2

>  <Molecular Weight (nearest integer)>
158

$$$$
82339
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
    5.2145    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9864    0.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4862    0.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2141    2.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4421    3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9423    3.4494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428    3.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4430    3.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7151    2.0615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4871    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9868    0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0782    2.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1002    1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
82339

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13022-80-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15N3

>  <Molecular Weight (nearest integer)>
189

>  <dtpname:Chemical Name>
4-(1,5-Diazabicyclo[3.2.1]oct-8-yl)pyridine

>  <dtpname:Chemical Name>
WLN: T56 A BN ENTJ A- DT6NJ

>  <dtpname:8th C.I.>
1,5-Diazabicyclo[3.2.1]octane, 8-(4-pyridyl)-

$$$$
109813
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.4224   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
109813

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13NO

>  <Molecular Weight (nearest integer)>
187

$$$$
122131
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.1082    7.9195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    7.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889    7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908    7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082    4.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072    7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    4.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    9.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    3.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889    2.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
122131

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2598-30-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7NO2

>  <Molecular Weight (nearest integer)>
173

$$$$
134577
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
134577

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32405-64-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N2O

>  <Molecular Weight (nearest integer)>
164

$$$$
150982
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1846   -5.2838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -6.3985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7918   -8.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -7.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7918  -10.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -8.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927  -10.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210   -7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937  -10.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609   -4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609   -4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3109   -3.6436    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8109   -3.6436    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5609   -2.3446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
150982

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14255-18-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8N2O2

>  <Molecular Weight (nearest integer)>
188

$$$$
156571
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.5263   -3.2784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263   -7.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253   -5.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263   -6.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   -5.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142   -2.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262   -1.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3383   -2.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3025   -4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <NSC>
156571

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3637-11-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H17NO2

>  <Molecular Weight (nearest integer)>
171

>  <dtpname:9th C.I.>
4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl-

>  <dtpname:8th C.I.>
4-Piperidone, 1-hydroxy-2,2,6,6-tetramethyl-

$$$$
169458
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.6937    3.4021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324    1.7704    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6766    4.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    4.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7303    6.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803    8.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9885    5.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803    5.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2303    6.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4803    8.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7303    9.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    8.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  3  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
169458

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11NO2S

>  <Molecular Weight (nearest integer)>
185

$$$$
195031
  CML DOM 09261310112D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.3995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    2.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495   -2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
195031

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14313-85-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H23NO

>  <Molecular Weight (nearest integer)>
185

$$$$
276369
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.6495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    1.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3995    1.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995   -0.9240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995   -0.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495   -2.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
276369

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71848-03-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N2O3

>  <Molecular Weight (nearest integer)>
182

>  <dtpname:Chemical Name>
Carbamic acid, ethyl-, 1,2-dihydro-2-oxo-3-pyridinyl ester

$$$$
303244
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -0.4754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  3  0  0  0  0
M  END
>  <NSC>
303244

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73318-20-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N3

>  <Molecular Weight (nearest integer)>
199

$$$$
335649
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.2500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
335649

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
68384-31-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H6N6O

>  <Molecular Weight (nearest integer)>
166

$$$$
109885
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.0245    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3 12  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
109885

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2045-25-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H11N5O

>  <Molecular Weight (nearest integer)>
181

>  <dtpname:Chemical Name>
2-Amino-4-morpholino-s-triazine

>  <dtpname:Chemical Name>
s-Triazine, 2-amino-4-morpholino-

>  <dtpname:9th C.I.>
1,3,5-Triazin-2-amine, 4-(4-morpholinyl)-

$$$$
123458
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    5.2040    2.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5378    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2040    5.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3768    4.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7416    5.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    3.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6758    5.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9748    4.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    4.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9748    3.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3768    3.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7416    2.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6758    2.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    1.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4 12  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <NSC>
123458

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
256-96-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11N

>  <Molecular Weight (nearest integer)>
193

>  <dtpname:Chemical Name>
Iminostilbene

>  <dtpname:Chemical Name>
Dibenz[b,f]azepine

>  <dtpname:Chemical Name>
2,2'-Iminostilbene

>  <dtpname:Chemical Name>
Stilbene, 2,2'-imino-

>  <dtpname:Chemical Name>
2,3,6,7-Dibenzazepine

>  <dtpname:Chemical Name>
5H-Dibenzo[b,f]azepine

>  <dtpname:Chemical Name>
5-Azadibenzo[a,e]cycloheptatriene

>  <dtpname:9th C.I.>
5H-Dibenz[b,f]azepine

>  <dtpname:8th C.I.>
5H-Dibenz[b,f]azepine

$$$$
134580
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5736    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
134580

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9NO3

>  <Molecular Weight (nearest integer)>
167

$$$$
151901
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.3481   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  3  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
151901

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11NO2

>  <Molecular Weight (nearest integer)>
189

$$$$
160005
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.8505    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8913    4.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894    5.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9041    6.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2032    5.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    2.9731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
160005

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10002-37-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H16N2O

>  <Molecular Weight (nearest integer)>
168

$$$$
169566
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.6401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6563    3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    3.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2382    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <NSC>
169566

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56488-16-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5N3S

>  <Molecular Weight (nearest integer)>
151

>  <dtpname:Chemical Name>
Imidazo[1,5-a]pyrazine-3-thiol

$$$$
203065
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.1364    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4713    0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2080    2.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    2.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    1.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703   -1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4713   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006    3.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  3  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
203065

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51165-02-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H21N

>  <Molecular Weight (nearest integer)>
191

$$$$
278741
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.4628    5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4628    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1638    4.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519    3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1638    7.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647    5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    4.5048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    3.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3228    2.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8556    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1638    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
278741

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56543-80-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11N3O

>  <Molecular Weight (nearest integer)>
177

$$$$
303603
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.0594   -3.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988   -5.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661   -3.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839   -5.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435   -4.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8687   -1.1346    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0493   -2.0599    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3861   -6.8958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5893   -8.1666    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8851   -6.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771   -1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797    0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8991    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    2.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  4   6   1   7  -1   8   1   9  -1
M  END
>  <NSC>
303603

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19561-70-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8N2O5

>  <Molecular Weight (nearest integer)>
200

>  <dtpname:USAN>
Nifuratrone

>  <dtpname:Chemical Name>
N-(2-Hydroxyethyl)-.alpha.-(5-nitro-2-furyl)nitrone

>  <dtpname:9th C.I.>
Ethanol, 2-[[(5-nitro-2-furanyl)methylene]amino]-, N-oxide

>  <dtpname:8th C.I.>
Nitrone, N-(2-hydroxyethyl)-.alpha.-(5-nitro-2-furyl)-

$$$$
338205
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
338205

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50681-26-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H3ClN2O3

>  <Molecular Weight (nearest integer)>
175

$$$$
111107
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5221   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -2.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
111107

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12N2OS

>  <Molecular Weight (nearest integer)>
184

$$$$
125197
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <NSC>
125197

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11N5O

>  <Molecular Weight (nearest integer)>
193

$$$$
134784
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.5661    4.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    6.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511    6.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    5.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3975    2.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876    4.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7146    4.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2511    6.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025    2.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    4.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <NSC>
134784

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14O3

>  <Molecular Weight (nearest integer)>
182

$$$$
152632
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.6168    1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353   -0.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039   -1.6009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370    0.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -1.3565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    2.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -0.2033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1451   -3.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6572    2.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132    4.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
152632

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4115-25-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H10N2O2S

>  <Molecular Weight (nearest integer)>
174

$$$$
162915
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.1332   -8.4269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8915   -6.4633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2821   -2.1836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8915   -8.8904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   -7.6768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858   -3.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222   -4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550   -5.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -3.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8148   -2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8341   -6.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1332   -6.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -6.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8341   -9.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
162915

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7N5

>  <Molecular Weight (nearest integer)>
197

$$$$
173101
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
173101

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11N3O2

>  <Molecular Weight (nearest integer)>
193

$$$$
206630
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.5607   -2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5607   -4.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6213   -3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1213   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1213   -1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6213   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1213   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <NSC>
206630

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H16N2O2

>  <Molecular Weight (nearest integer)>
172

$$$$
279834
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  3  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <NSC>
279834

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1539-51-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13N3

>  <Molecular Weight (nearest integer)>
187

$$$$
303800
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.1646    5.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646    3.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7381    3.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    4.4932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7381    5.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1927    1.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3782    6.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2214    7.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4349    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781    9.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8052    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
303800

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52898-06-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H9NO4

>  <Molecular Weight (nearest integer)>
171

$$$$
339578
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9463   -0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9463   -2.4390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8280   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
339578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65795-37-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9N5

>  <Molecular Weight (nearest integer)>
199

$$$$
116565
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <NSC>
116565

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18903-23-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5N3O3S

>  <Molecular Weight (nearest integer)>
199

$$$$
127216
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.5202   -2.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6096   -0.9357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958    1.3538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900   -0.9718    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4536    0.9994    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5922    0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251    0.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9153   -0.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
127216

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
38362-23-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C3H6N4S2

>  <Molecular Weight (nearest integer)>
162

>  <dtpname:Chemical Name>
1,2,4-Thiadiazole, 5-hydrazino-3-(methylthio)-

>  <dtpname:9th C.I.>
1,2,4-Thiadiazol-5(2H)-one, 3-(methylthio)-, hydrazone

$$$$
134785
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.4758    0.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700    0.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687   -0.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043   -2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030   -3.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229   -2.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287   -1.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2499   -0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8880    3.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060    2.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133    1.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332    0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
134785

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17951-87-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H19NO2

>  <Molecular Weight (nearest integer)>
197

$$$$
154316
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    3.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <NSC>
154316

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41996-00-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H3N5O2

>  <Molecular Weight (nearest integer)>
153

$$$$
163104
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
163104

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29113-41-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H14N2OS

>  <Molecular Weight (nearest integer)>
198

>  <dtpname:Chemical Name>
Butystat

>  <dtpname:Chemical Name>
Tireobutil

>  <dtpname:9th C.I.>
4(1H)-Pyrimidinone, 5-butyl-2,3-dihydro-6-methyl-2-thioxo-

>  <dtpname:8th C.I.>
Uracil, 5-butyl-6-methyl-2-thio-

$$$$
173103
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -7.4714    3.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723    5.9428    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723    1.4428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723   -0.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733    3.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    4.1563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723    4.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    2.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733    2.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4714    2.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832    0.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160   -0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
173103

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H4N4O2S

>  <Molecular Weight (nearest integer)>
196

$$$$
227309
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
227309

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11NO2

>  <Molecular Weight (nearest integer)>
189

$$$$
284701
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.6401   -3.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -4.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901   -5.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036   -4.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -3.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8537   -7.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172   -5.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3537   -7.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -5.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833   -1.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073   -3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <NSC>
284701

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
86273-33-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H16N2

>  <Molecular Weight (nearest integer)>
152

$$$$
304902
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <NSC>
304902

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3376-14-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N2

>  <Molecular Weight (nearest integer)>
186

$$$$
341902
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.1847    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2093   -0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2093    2.0260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6728    3.4526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    3.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6729   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1364   -3.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <NSC>
341902

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77311-46-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N2O2

>  <Molecular Weight (nearest integer)>
178

$$$$
117386
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.2364    2.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6923    4.3990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3932    3.6490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3804    5.8662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8886    6.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2785    4.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1386    7.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614    7.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    8.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    8.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614    9.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    6.0230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
117386

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H6N4O3

>  <Molecular Weight (nearest integer)>
170

$$$$
127458
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.9487    2.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752    4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486    3.7532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9658    8.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9695    7.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4985    8.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5059    5.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387    5.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4569    3.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486    2.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6771    0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5588    1.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
127458

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20208-81-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9N3

>  <Molecular Weight (nearest integer)>
195

$$$$
135351
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.6198   -3.1398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198   -1.6398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203   -3.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8334   -4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3698   -5.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2599   -4.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7964   -5.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698   -5.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4774   -7.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5143   -2.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9881   -6.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <NSC>
135351

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1981-34-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H13NO

>  <Molecular Weight (nearest integer)>
151

$$$$
154718
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -3.5208   -6.6545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9937   -4.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802   -3.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2437   -2.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437   -2.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2072   -3.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5775   -4.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7911   -3.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1614   -4.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7343   -5.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3182   -5.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1046   -6.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505   -6.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
154718

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9N3

>  <Molecular Weight (nearest integer)>
183

>  <dtpname:Chemical Name>
Pyrazolo[1,5-c]quinazoline, 2-methyl-

$$$$
163158
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.9780    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9780    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5761    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5761    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0027    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662    6.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8843    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0027    2.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662    1.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
163158

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7N3O2

>  <Molecular Weight (nearest integer)>
165

$$$$
177952
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2736   -1.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045   -0.7189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1860    0.6476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -0.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952    0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6960   -1.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    1.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7806    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7911    2.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -0.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248   -1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
177952

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39958-42-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H4N4O3

>  <Molecular Weight (nearest integer)>
156

$$$$
234764
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
234764

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N2O4

>  <Molecular Weight (nearest integer)>
196

>  <dtpname:Chemical Name>
1,3-Benzenediol, dicarbamate

$$$$
287065
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -1.6890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1108   -3.1156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3236    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0289   -0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
>  <NSC>
287065

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6232-92-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6N4O2

>  <Molecular Weight (nearest integer)>
178

$$$$
311723
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
311723

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
75464-86-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7N3S

>  <Molecular Weight (nearest integer)>
189

$$$$
342460
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 12  2  0  0  0  0
M  CHG  2  10   1  11  -1
M  END
>  <NSC>
342460

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67405-28-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H9N3O3

>  <Molecular Weight (nearest integer)>
183

$$$$
118832
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -7.1952    2.6541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9415    0.2404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9452    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3186    2.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4370    1.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
118832

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9NOS

>  <Molecular Weight (nearest integer)>
191

$$$$
127947
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.2461   -4.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2461   -5.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539   -4.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539   -5.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7634   -6.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1516   -5.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8241   -7.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3145   -7.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2461   -7.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068   -3.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557   -3.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7461   -5.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
127947

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90978-91-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H17NO3

>  <Molecular Weight (nearest integer)>
199

$$$$
136065
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.7500    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
136065

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6119-27-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N3O

>  <Molecular Weight (nearest integer)>
191

$$$$
155196
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1  5  1  0  0  0  0
  2 10  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
M  END
>  <NSC>
155196

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14068-13-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7N3

>  <Molecular Weight (nearest integer)>
169

>  <dtpname:Chemical Name>
2-Quinoxalineacetonitrile

$$$$
163920
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.0286   -2.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -1.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349   -4.3293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -4.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786   -5.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -4.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760   -4.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4463   -4.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6031   -6.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057   -7.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3896   -7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714   -2.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6598   -3.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  3 14  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <NSC>
163920

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74381-61-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N2O

>  <Molecular Weight (nearest integer)>
184

$$$$
191029
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
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   -1.0364    7.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354    6.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354    4.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    4.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    2.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    7.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607    6.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2626    9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    8.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3355    9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
191029

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53662-20-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H21NO

>  <Molecular Weight (nearest integer)>
183

$$$$
246415
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
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    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5711    3.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5712    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830   -2.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1692    2.1496    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
246415

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
37046-17-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N2S

>  <Molecular Weight (nearest integer)>
200

$$$$
287495
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.8243    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
287495

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
76349-10-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N2O3

>  <Molecular Weight (nearest integer)>
182

$$$$
321484
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.0289    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424    4.0692    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924    1.7609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    1.7609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    3.6510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0961    2.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3461    5.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8461    5.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3096    3.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977    3.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
321484

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7N3S

>  <Molecular Weight (nearest integer)>
165

$$$$
344494
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.3995    0.9240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.2231    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1495   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    2.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
344494

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H4Cl2N2

>  <Molecular Weight (nearest integer)>
175

$$$$
119969
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 10  1  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
119969

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N2O

>  <Molecular Weight (nearest integer)>
188

$$$$
128068
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <NSC>
128068

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9NO

>  <Molecular Weight (nearest integer)>
183

$$$$
145180
  CML DOM 09261310112D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.2745    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992    5.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992    3.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1809    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  2  8  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <NSC>
145180

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35101-92-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H5N5S

>  <Molecular Weight (nearest integer)>
167

$$$$
155698
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
155698

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
261-90-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N2S

>  <Molecular Weight (nearest integer)>
200

$$$$
164965
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1716   -7.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
164965

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4947-89-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7ClN2S

>  <Molecular Weight (nearest integer)>
187

>  <dtpname:Chemical Name>
3-(Chlorophenyl)thiourea

>  <dtpname:Chemical Name>
(m-Chlorophenyl)thiourea

>  <dtpname:Chemical Name>
1-(m-Chlorophenyl)thiourea

>  <dtpname:Chemical Name>
N-(3-Chlorophenyl)thiourea

>  <dtpname:Chemical Name>
WLN: SUYZMR CG

>  <dtpname:9th C.I.>
Thiourea, (3-chlorophenyl)-

>  <dtpname:8th C.I.>
Urea, 1-(m-chlorophenyl)-2-thio-

$$$$
194242
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -7.7355    0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7355   -2.3813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0099    0.3322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -3.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0346   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0346   -1.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4365   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4365   -1.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0099   -2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1282   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5464    1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5464   -3.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <NSC>
194242

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4121-21-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7N3O

>  <Molecular Weight (nearest integer)>
161

$$$$
269905
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.8856    1.6522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0039    2.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0039    0.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5774    2.4022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5774    0.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4675    4.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9347    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3982    6.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3945    7.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9273    6.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4638    5.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638    3.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9935    0.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
269905

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N2O

>  <Molecular Weight (nearest integer)>
188

$$$$
288686
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.7577   -0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7577   -1.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3558   -0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3558   -1.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549    2.2055    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9539   -1.5445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539   -0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549   -3.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549   -5.2945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  3  0  0  0  0
M  END
>  <NSC>
288686

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23994-20-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H5ClN2

>  <Molecular Weight (nearest integer)>
189

$$$$
331198
  CML DOM 09261310112D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.2745   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245    0.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    1.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   -2.3235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  3  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
331198

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62382-63-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H9N3S

>  <Molecular Weight (nearest integer)>
155

$$$$
351110
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.8212   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  2   5   1   6  -1
M  END
>  <NSC>
351110

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
40899-41-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9NO4

>  <Molecular Weight (nearest integer)>
183

$$$$
120312
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.8083   -2.6401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8083   -4.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9181   -6.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3817   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3817   -4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1073   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4063   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4063   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1073   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9182   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -4.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
120312

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18159-93-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H16N2O2

>  <Molecular Weight (nearest integer)>
196

$$$$
131982
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
131982

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13140-47-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2S

>  <Molecular Weight (nearest integer)>
194

$$$$
147829
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.3672    2.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3672    1.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6662    3.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6662    0.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9653    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9653    1.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3918    3.2884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919    0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    2.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7653    1.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0020   -0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6470    3.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3754    0.5478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4938   -0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8672    0.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
147829

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17952-82-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N2O

>  <Molecular Weight (nearest integer)>
186

>  <dtpname:Chemical Name>
L-Oxonoreleagnine

>  <dtpname:Chemical Name>
1,2,3,4-Tetrahydronorharman-1-one

>  <dtpname:Chemical Name>
1,2,3,4-Tetrahydro-1-oxo-.beta.-carboline

>  <dtpname:9th C.I.>
1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-

>  <dtpname:8th C.I.>
1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-

$$$$
155703
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.9658    8.4965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752    4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486    3.7532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486    2.2532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4985    8.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387    5.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5059    5.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9695    7.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9487    2.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5588    1.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4569    3.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6771    0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
155703

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66571-30-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N4

>  <Molecular Weight (nearest integer)>
196

$$$$
166900
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
166900

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17417-44-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N2O3

>  <Molecular Weight (nearest integer)>
156

$$$$
194243
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -8.7009    1.1761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7009   -1.8239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5118    2.3162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9753    0.8896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9999    0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9999   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4019    0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4019   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9753   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0936   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5117   -2.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -3.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408   -2.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5810   -4.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
194243

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4121-25-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N4

>  <Molecular Weight (nearest integer)>
176

$$$$
272275
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.1234    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
272275

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59261-37-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13N

>  <Molecular Weight (nearest integer)>
159

$$$$
295701
  CML DOM 09261310112D

 13 15  0  0  0  0  0  0  0  0999 V2000
    2.7190    2.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7190    0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0180    3.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0180    0.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171    2.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171    0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7436    2.7865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7436    0.3595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253    1.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0519    1.1095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6253   -0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0519   -0.3905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    3.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
295701

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32835-39-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7N3S

>  <Molecular Weight (nearest integer)>
189

$$$$
331208
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.1892   -4.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -3.0653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -4.2789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6847   -5.3936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929   -2.8116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938   -2.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -6.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983   -4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   -4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -6.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   -7.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983   -7.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233   -6.1894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.5699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
331208

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3310-68-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9N5

>  <Molecular Weight (nearest integer)>
175

$$$$
361056
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
M  CHG  2   4   1   5  -1
M  END
>  <NSC>
361056

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6N2O3S

>  <Molecular Weight (nearest integer)>
198

>  <dtpname:Chemical Name>
Acetonitrile, 2-pyridinylsulfonyl-, N-oxide

>  <dtpname:Chemical Name>
Acetonitrile, (2-pyridinylsulfonyl)-, N-oxide

$$$$
365560
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.2926    4.0607    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7926    4.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    5.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    6.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    4.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4139    4.0607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1523    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1639    2.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1639    5.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <NSC>
365560

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
80179-67-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H9NOS2

>  <Molecular Weight (nearest integer)>
187

$$$$
672441
  CML DOM 09261310112D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
672441

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H18N2O

>  <Molecular Weight (nearest integer)>
158

$$$$
4263
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.7313    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6284    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6284    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0303    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6284    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0303    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.2265    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9275    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
4263

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4199-88-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H7N3O2

>  <Molecular Weight (nearest integer)>
225

>  <dtpname:Chemical Name>
5-Nitro-1,10-phenanthroline

>  <dtpname:Chemical Name>
5-Nitro-1, 10-diazaphenanthrene

>  <dtpname:9th C.I.>
1,10-Phenanthroline, 5-nitro-

>  <dtpname:8th C.I.>
1,10-Phenanthroline, 5-nitro-

$$$$
8813
  CML DOM 09261310112D

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    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    1.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0045    0.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
8813

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6287-59-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N4O3

>  <Molecular Weight (nearest integer)>
238

>  <dtpname:8th C.I.>
Uric acid, 9-ethyl-1,3,7-trimethyl-

$$$$
10428
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.4090    4.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5781    1.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    4.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928    3.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1601    2.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0827    4.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0827    6.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827    6.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827    4.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327    5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327    5.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8327    5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5827    6.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
10428

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1530-62-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12O3

>  <Molecular Weight (nearest integer)>
204

$$$$
13974
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6226   -1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
13974

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
131-22-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13N3

>  <Molecular Weight (nearest integer)>
247

>  <dtpname:Chemical Name>
C.I. 11350

>  <dtpname:Chemical Name>
Nubian Yellow TB

>  <dtpname:Chemical Name>
4-Benzeneazo-1-naphthylamine

>  <dtpname:Chemical Name>
4-(Phenylazo)-1-naphthylamine

>  <dtpname:Chemical Name>
Phenylazo-.alpha.-naphthylamine

>  <dtpname:Chemical Name>
1-Naphthylamine, 4-(phenylazo)-

>  <dtpname:Chemical Name>
Naphthalene, 1-phenylazo-4-amino-

>  <dtpname:Chemical Name>
4-Benzene-azo-.alpha.-naphthylamine

>  <dtpname:9th C.I.>
1-Naphthalenamine, 4-(phenylazo)-

>  <dtpname:8th C.I.>
C.I. Solvent Yellow 4

$$$$
16416
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.1919   -1.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4909   -2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929   -2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4909   -3.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929   -3.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1919   -4.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1427    2.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166   -0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6654    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524    0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710   -0.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -1.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2948   -2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957   -1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2948   -3.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
16416

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5449-68-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18O3

>  <Molecular Weight (nearest integer)>
234

$$$$
19487
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -8.1764    4.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    7.1639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    2.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    1.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    5.3774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    2.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    5.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701    4.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1764    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    1.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882   -0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5699    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
19487

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6165-00-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N4S

>  <Molecular Weight (nearest integer)>
220

>  <dtpname:Chemical Name>
9-Cyclopentyl-6-mercaptopurine

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 9-cyclopentyl-1,9-dihydro-

>  <dtpname:8th C.I.>
9H-Purine-6-thiol, 9-cyclopentyl-

$$$$
23247
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.5002   -2.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -3.4893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039   -1.0755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7175   -3.1774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    1.3144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723   -1.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1733   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1733    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8322   -4.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203   -5.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
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  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
23247

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5454-86-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N5

>  <Molecular Weight (nearest integer)>
237

$$$$
27032
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.9815    1.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    0.6122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6216   -0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3226   -1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9207   -3.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3226   -3.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235   -0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
27032

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5784-95-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13NO

>  <Molecular Weight (nearest integer)>
223

$$$$
366808
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    2.1766    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4399    4.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4399    2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9764    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665    4.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801    1.7584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4504    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
366808

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79388-72-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7N3S2

>  <Molecular Weight (nearest integer)>
197

$$$$
1451
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -4.4591   -4.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -2.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -7.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -4.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -5.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7581   -7.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0571   -7.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7581   -5.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3562   -7.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0572   -4.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3562   -5.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -7.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -4.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -2.9770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0291   -1.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
1451

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N5

>  <Molecular Weight (nearest integer)>
239

>  <dtpname:Chemical Name>
1H-Pyrazolo[3,4-d]pyrimidine, 4-(benzylamino)-1-methyl-

>  <dtpname:Chemical Name>
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl-N-(phenylmethyl)-

$$$$
4921
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.5669   -4.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6768   -6.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -8.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -5.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -3.7535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -3.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -1.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034   -5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9851   -6.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4769   -7.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0870   -8.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034   -8.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2053   -9.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6768   -7.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7135   -9.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -5.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -4.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  2  0  0  0  0
  4 17  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6 17  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <NSC>
4921

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59208-47-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6N4O2

>  <Molecular Weight (nearest integer)>
214

$$$$
9064
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.2000    0.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2000   -0.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4136   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9865   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4500   -2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9500   -2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8402   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9549   -2.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3235   -3.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8317   -4.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684   -4.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0766   -3.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   -2.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
9064

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H16O5

>  <Molecular Weight (nearest integer)>
204

$$$$
10995
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.3573    0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1682    6.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317    2.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6564    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
10995

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5411-61-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9BrO2

>  <Molecular Weight (nearest integer)>
241

$$$$
14303
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    6.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
14303

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2850-40-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N4O2

>  <Molecular Weight (nearest integer)>
222

>  <dtpname:Chemical Name>
8-Isopropyltheophylline

>  <dtpname:Chemical Name>
Xanthine, 1,3-dimethyl-8-isopropyl-

>  <dtpname:Chemical Name>
WLN: T56 BM DN FNVNVJ CY1&1 F1 H1

>  <dtpname:9th C.I.>
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(1-methylethyl)-

>  <dtpname:8th C.I.>
Theophylline, 8-isopropyl-

$$$$
16813
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5 12  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
16813

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
87756-40-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O

>  <Molecular Weight (nearest integer)>
216

$$$$
19637
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.3481    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4461    6.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7452    5.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4461    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
19637

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5425-74-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2O2

>  <Molecular Weight (nearest integer)>
226

>  <dtpname:Chemical Name>
2-(m-Nitrostyryl)pyridine

$$$$
23248
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -7.4192   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
23248

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5454-87-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N3O

>  <Molecular Weight (nearest integer)>
227

$$$$
27628
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.4591   -4.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -2.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0291   -1.5504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -2.9770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -4.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -4.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4344   -5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -7.1905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -7.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7581   -7.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0571   -7.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3562   -7.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
27628

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N4S

>  <Molecular Weight (nearest integer)>
208

$$$$
370387
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.9235    4.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2225    4.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2226    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5216    4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5216    6.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5216    1.8901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8206    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8206    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2472    2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1289    3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7107    6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1743    7.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <NSC>
370387

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5387-84-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H3N5O

>  <Molecular Weight (nearest integer)>
161

$$$$
1620
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.6295   -4.4615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -2.2115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295   -7.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2988   -7.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -2.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -4.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295   -2.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9285   -6.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0853   -5.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5525   -4.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3025   -6.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  2  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
1620

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9N5O

>  <Molecular Weight (nearest integer)>
215

>  <dtpname:Chemical Name>
4-[[(2-FURANYL)METHYL]AMINO]-1H-PYRAZOLO[3,4-D]PYRIMIDINE

$$$$
5995
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.4683   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5712   -2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
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  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
5995

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2327-17-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N3O

>  <Molecular Weight (nearest integer)>
213

$$$$
9341
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -5.4706   -8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.3678   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
9341

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15NO4

>  <Molecular Weight (nearest integer)>
237

$$$$
11149
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9217   -7.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
11149

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6280-42-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11ClO2

>  <Molecular Weight (nearest integer)>
235

$$$$
14304
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    6.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7054    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
14304

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2850-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N4O2

>  <Molecular Weight (nearest integer)>
222

>  <dtpname:Chemical Name>
8-Propyltheophylline

>  <dtpname:Chemical Name>
8-n-Propyl theophylline

>  <dtpname:Chemical Name>
Xanthine, 1,3-dimethyl-8-propyl-

>  <dtpname:Chemical Name>
WLN: T56 BM DN FNVNVJ C3 F1 H1

>  <dtpname:9th C.I.>
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-propyl-

>  <dtpname:8th C.I.>
Theophylline, 8-propyl-

$$$$
17129
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.4216    6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207    5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207    3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4216    3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    4.3726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    3.0736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    2.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3187    5.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    7.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3187    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6178    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9168    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
17129

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5462-24-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O3S

>  <Molecular Weight (nearest integer)>
242

$$$$
20045
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.9241    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
20045

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6315-01-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19NO

>  <Molecular Weight (nearest integer)>
205

$$$$
23672
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  2  0  0  0  0
  4 12  2  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
23672

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8ClN3O

>  <Molecular Weight (nearest integer)>
222

$$$$
28341
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.8760    6.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    5.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1260    3.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761   10.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1751    9.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    9.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    8.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1751    8.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760    7.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    5.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0896    5.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5605    4.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260    3.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0970    2.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6297    2.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1007    1.8509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
28341

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54883-78-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N4

>  <Molecular Weight (nearest integer)>
210

$$$$
372063
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.2718   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   -4.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7718   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0218   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7718   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0218   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <NSC>
372063

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13011-87-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9NO3

>  <Molecular Weight (nearest integer)>
191

$$$$
1751
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
1751

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5345-83-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H16O7

>  <Molecular Weight (nearest integer)>
224

>  <dtpname:Chemical Name>
3,5-O-METHYLENE-MESO-GLYCERO-GULO-HEPTITOL

$$$$
6866
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.6345    4.2049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    4.2049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    7.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354    6.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    6.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    4.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354    4.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    7.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607    6.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    8.7049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    8.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354    9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
6866

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39887-48-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H11Cl2NO

>  <Molecular Weight (nearest integer)>
232

$$$$
9358
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.9731    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
9358

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13103-75-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N4

>  <Molecular Weight (nearest integer)>
226

>  <dtpname:Chemical Name>
PADA

>  <dtpname:Chemical Name>
Pyridine-2-azodimethylaniline

>  <dtpname:Chemical Name>
p-(2-Pyridylazo)dimethylaniline

>  <dtpname:Chemical Name>
Pyridine-2-azo-p-dimethylaniline

>  <dtpname:Chemical Name>
N,N-Dimethyl-4-(2-pyridylazo)aniline

>  <dtpname:Chemical Name>
4-(2-Pyridylazo)-N,N-dimethylaniline

>  <dtpname:Chemical Name>
2-[[p-(dimethylamino)phenyl]azo]pyridine

>  <dtpname:Chemical Name>
2-(p-N,N-Dimethylaminophenylazo)pyridine

>  <dtpname:Chemical Name>
Pyridine, [[p-(dimethylamino)phenyl]azo]-

>  <dtpname:9th C.I.>
Benzenamine, N,N-dimethyl-4-(2-pyridinylazo)-

>  <dtpname:8th C.I.>
Pyridine, 2-[[p-(dimethylamino)phenyl]azo]-

$$$$
11150
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   10.1178   -7.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
11150

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6280-43-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11ClO2

>  <Molecular Weight (nearest integer)>
235

$$$$
14540
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.9269   -5.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6278   -6.5379    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6278   -8.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506   -6.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2259   -6.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2259   -8.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9268   -8.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5249   -5.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9268  -10.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1148   -5.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376   -4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245   -3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -3.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299   -2.9374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <NSC>
14540

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H14NO4P

>  <Molecular Weight (nearest integer)>
219

$$$$
17339
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2745    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
17339

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6297-29-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15NO

>  <Molecular Weight (nearest integer)>
213

$$$$
21034
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.6317   -2.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -4.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.2544   -3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.9554   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
21034

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6315-90-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7NO6

>  <Molecular Weight (nearest integer)>
237

$$$$
23895
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.5197   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
23895

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15NO3

>  <Molecular Weight (nearest integer)>
221

$$$$
29471
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
29471

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13ClN2O

>  <Molecular Weight (nearest integer)>
213

$$$$
407282
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.0244    1.1972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235    0.4472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2206   -1.8028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5196   -4.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9215    0.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2206   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9215   -1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    1.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5196    0.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8187   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186   -1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225   -1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5196   -2.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235   -1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9215   -2.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
 12  7  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <NSC>
407282

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
485-35-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N2O

>  <Molecular Weight (nearest integer)>
190

>  <dtpname:Chemical Name>
Tabax

>  <dtpname:Chemical Name>
Tabex

>  <dtpname:Chemical Name>
Ulexin

>  <dtpname:Chemical Name>
Citizin

>  <dtpname:Chemical Name>
Ulexine

>  <dtpname:Chemical Name>
Cytiton

>  <dtpname:Chemical Name>
Cytizin

>  <dtpname:Chemical Name>
CYTISINE

>  <dtpname:Chemical Name>
Tsitizin

>  <dtpname:Chemical Name>
Cytisine

>  <dtpname:Chemical Name>
Laburnin

>  <dtpname:Chemical Name>
Cytitone

>  <dtpname:Chemical Name>
Cystisine

>  <dtpname:Chemical Name>
Sophorine

>  <dtpname:Chemical Name>
Baptitoxin

>  <dtpname:Chemical Name>
Baptitoxine

>  <dtpname:Chemical Name>
Cytisine ((+)-)

>  <dtpname:Chemical Name>
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-

>  <dtpname:Chemical Name>
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R-cis)-

>  <dtpname:Chemical Name>
WLN: T C666 A GVN LM&TTJ

>  <dtpname:9th C.I.>
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-

>  <dtpname:8th C.I.>
Cytisine

>  <dtpname:VAN>
Sophorin

$$$$
2561
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.6471    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
2561

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5329-50-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16O5

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:Chemical Name>
BENZYL .BETA.-D-ARABINOPYRANOSIDE

$$$$
6910
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2231    2.1495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3750    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2   7   1   8  -1
M  END
>  <NSC>
6910

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2448-06-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18N2O3

>  <Molecular Weight (nearest integer)>
250

$$$$
9461
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
9461

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20826-04-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H4BrNO2

>  <Molecular Weight (nearest integer)>
202

$$$$
11826
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
  -10.1563   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8573   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8573   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1317   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1317   -4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6681   -6.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1563   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4554   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
11826

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6295-27-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8N6O

>  <Molecular Weight (nearest integer)>
228

$$$$
15362
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
  -10.7673    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    5.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
15362

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2657-85-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N3O

>  <Molecular Weight (nearest integer)>
227

>  <dtpname:Chemical Name>
3',4-Diaminobenzanilide

>  <dtpname:Chemical Name>
Benzanilide, 3',4-diamino-

>  <dtpname:Chemical Name>
4-Amino-N-(3-aminophenyl)benzamide

>  <dtpname:9th C.I.>
Benzamide, 4-amino-N-(3-aminophenyl)-

$$$$
19063
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -7.1563   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682   -1.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -6.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4554   -5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7544   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
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  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2  4  1  0  0  0  0
  3 10  2  0  0  0  0
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  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
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 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
19063

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5453-12-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H6N4S3

>  <Molecular Weight (nearest integer)>
230

$$$$
21678
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -6.3053   -4.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8254   -4.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7576   -5.2768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1655   -2.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7260    1.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
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  4  5  2  0  0  0  0
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  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
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  9 10  1  0  0  0  0
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 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
21678

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6975-75-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N6O

>  <Molecular Weight (nearest integer)>
232

$$$$
23906
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.2207    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.1178    1.9754    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -3.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  9  1  0  0  0  0
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  2  7  1  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  4  8  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
23906

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5457-91-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H13ClN4

>  <Molecular Weight (nearest integer)>
201

$$$$
162292
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.7563    0.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    0.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8105   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3105   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8711   -4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2498   -4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8105   -5.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6682   -0.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6233    1.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640   -2.1151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
162292

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H20N2O

>  <Molecular Weight (nearest integer)>
196

$$$$
513815
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -6.5218   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0218   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7718   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7718   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0218   -3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   -0.8355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   -3.2626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -1.2991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.6807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  6  2  0  0  0  0
  3 11  2  0  0  0  0
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  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
513815

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
68787-52-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6N4S

>  <Molecular Weight (nearest integer)>
178

$$$$
2805
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5736   -7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
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  4 11  2  0  0  0  0
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  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
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  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
M  END
>  <NSC>
2805

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4371-34-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14O4

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
2,2',5,5'-TETRAHYDROXY-4,4'-DIMETHYLBIPHENYL

$$$$
8090
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
8090

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
634-42-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13NO

>  <Molecular Weight (nearest integer)>
247

$$$$
9852
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
9852

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5419-84-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O2

>  <Molecular Weight (nearest integer)>
240

$$$$
11891
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.7055   -4.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4064   -4.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0045   -4.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4064   -6.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0045   -6.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7055   -7.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798   -4.4466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798   -6.8736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -5.6601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -4.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -3.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982   -3.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -1.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
11891

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6295-57-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7NO2S2

>  <Molecular Weight (nearest integer)>
225

>  <dtpname:Chemical Name>
2-Carboxymethylthiobenzothiazole

>  <dtpname:Chemical Name>
2-(Carboxymethylthio)benzothiazole

>  <dtpname:Chemical Name>
2-(2-Benzothiazolylthio)acetic acid

>  <dtpname:Chemical Name>
S-2-Benzothiazolylthioglycolic acid

>  <dtpname:Chemical Name>
S-2-(Benzothiazolylthio)glycolic acid

>  <dtpname:Chemical Name>
WLN: T56 BN DSJ CS1VQ

>  <dtpname:9th C.I.>
Acetic acid, (2-benzothiazolylthio)-

>  <dtpname:8th C.I.>
Acetic acid, (2-benzothiazolylthio)-

$$$$
15364
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -3.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
15364

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4550-72-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N4O

>  <Molecular Weight (nearest integer)>
242

>  <dtpname:Chemical Name>
1,3-Bis(4-Aminophenyl)urea

>  <dtpname:Chemical Name>
1,3-Bis(p-aminophenyl)urea

>  <dtpname:Chemical Name>
N,N'-Bis(4-aminophenyl)urea

>  <dtpname:9th C.I.>
Urea, N,N'-bis(4-aminophenyl)-

>  <dtpname:8th C.I.>
Carbanilide, 4,4'-diamino-

$$$$
19096
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.6563   -4.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -1.8901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -1.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2544   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5534   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -6.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -7.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1682   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
19096

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5444-37-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N4O2

>  <Molecular Weight (nearest integer)>
222

$$$$
21725
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.3481    5.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    5.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
  7  3  1  6  0  0  0
 19  4  1  6  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 14  2  0  0  0  0
  7 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
21725

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
486-90-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20N2O

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
THERMOPSINE,1-

>  <dtpname:9th C.I.>
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7.alpha.,7a.alpha.,14.alpha.)]-

>  <dtpname:8th C.I.>
Thermopsine

$$$$
24035
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.4707    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    6.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
24035

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29329-61-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N3O

>  <Molecular Weight (nearest integer)>
227

$$$$
112975
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -8.2544   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -3.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2544   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5535   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
112975

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
494-55-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13NO2

>  <Molecular Weight (nearest integer)>
191

>  <dtpname:Chemical Name>
Hydrohydrastinin

>  <dtpname:Chemical Name>
Hydrohydrastinine

>  <dtpname:Chemical Name>
Norhydrastinine, 1,2-dihydro-2-methyl-

>  <dtpname:9th C.I.>
1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-

>  <dtpname:8th C.I.>
1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-

$$$$
650438
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
650438

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
108536-24-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9NO3

>  <Molecular Weight (nearest integer)>
179

>  <dtpname:Chemical Name>
(Z)-N-[2-(2,5-Dihydroxyphenyl)ethenyl]-formamide (cis Erbstatin)

$$$$
3001
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.1698    5.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292    6.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283    5.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698    3.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283    3.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292    3.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    6.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600    7.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6731    8.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242    5.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470    5.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600    3.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6373    3.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1959    2.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
3001

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5345-12-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H18O4

>  <Molecular Weight (nearest integer)>
214

$$$$
8179
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.2582    0.0127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4754    0.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.1020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -2.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2303   -0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9313   -1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5293   -1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5293   -2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9313   -2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322   -0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2303   -3.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0082    1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0246    1.6253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9063    2.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    4.2092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3981    2.6821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  3  1  0  0  0  0
  2 10  2  0  0  0  0
  2 12  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
8179

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6642-32-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9N5O

>  <Molecular Weight (nearest integer)>
203

$$$$
10091
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6272    5.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    6.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2373    4.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1354    5.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4059    6.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8235    4.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178    4.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970    3.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226    3.3459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2794    1.8541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8772    7.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6272    8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8772    4.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3772    9.6170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6272    5.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1272    5.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3772    7.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8772    7.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1272    8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  3  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
10091

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6286-56-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O2

>  <Molecular Weight (nearest integer)>
240

$$$$
11991
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.2676    7.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411    6.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776    5.0984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    7.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140    6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860    6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495    5.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2198    4.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3766    2.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776    5.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360    4.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1631    2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7928    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    8.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    8.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   10.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    8.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <NSC>
11991

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6287-80-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O

>  <Molecular Weight (nearest integer)>
226

$$$$
15372
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <NSC>
15372

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
93-45-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13NO

>  <Molecular Weight (nearest integer)>
235

>  <dtpname:Chemical Name>
p-Oxinozon

>  <dtpname:Chemical Name>
p-Oxyneozone

>  <dtpname:Chemical Name>
p-Hydroxyneozon

>  <dtpname:Chemical Name>
p-Hydroxyneozone

>  <dtpname:Chemical Name>
p-(2-Naphthylamino)phenol

>  <dtpname:Chemical Name>
p-(.beta.-Naphthylamino)phenol

>  <dtpname:Chemical Name>
p-Hydroxyphenyl-2-naphthylamine

>  <dtpname:Chemical Name>
N-(p-Hydroxyphenyl)-2-naphthylamine

>  <dtpname:Chemical Name>
p-Hydroxyphenyl-.beta.-naphthylamine

>  <dtpname:Chemical Name>
4-Hydroxyphenyl-.beta.-naphthylamine

>  <dtpname:Chemical Name>
N-(p-Hydroxyphenyl)-.beta.-naphthylamine

>  <dtpname:Chemical Name>
WLN: L66J CMR DQ

>  <dtpname:9th C.I.>
Phenol, 4-(2-naphthalenylamino)-

>  <dtpname:8th C.I.>
Phenol, p-(2-naphthylamino)-

$$$$
19108
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.4053   -2.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7946    0.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2959    0.5730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1865    3.1688    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4079   -2.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4919    1.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9932    1.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6013   -0.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
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  3  9  1  0  0  0  0
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  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
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  7 10  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
19108

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5444-44-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N4OS

>  <Molecular Weight (nearest integer)>
244

$$$$
22939
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.5197   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2207   -2.7254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -2.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -2.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  5 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
22939

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H20N2O2

>  <Molecular Weight (nearest integer)>
224

>  <dtpname:Chemical Name>
ASPERGILLIC ACID

$$$$
25368
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.1135   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4126   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8145   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8145   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4126   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8145   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
25368

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7248-04-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H20O4

>  <Molecular Weight (nearest integer)>
216

$$$$
281639
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.6759    1.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5824    0.2691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094    0.2713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2453   -0.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1521   -0.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -1.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0693   -2.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278   -2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.0131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699    0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6335   -0.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513    1.0840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877    2.4848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
281639

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58979-86-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H8N4O2

>  <Molecular Weight (nearest integer)>
156

$$$$
664971
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.7500    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672    1.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6240    3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537    3.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231    4.0537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231    5.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    5.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8202    6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
664971

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H15N3O

>  <Molecular Weight (nearest integer)>
169

$$$$
3961
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
    6.3482   -0.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790   -4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8081   -5.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7425   -6.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716   -6.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7388   -7.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -0.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  1  3  1  0  0  0  0
  2 14  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4 16  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
3961

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6014-07-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N4S

>  <Molecular Weight (nearest integer)>
228

$$$$
8481
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.6250   -4.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -4.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750   -6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -7.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -7.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -6.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -3.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3750   -6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3750   -4.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8750   -6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3750   -7.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -4.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
8481

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1798-04-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16O3

>  <Molecular Weight (nearest integer)>
208

>  <dtpname:Chemical Name>
p-tert-Butylphenoxyacetic acid

>  <dtpname:Chemical Name>
4-(1,1-Dimethylethyl)phenoxyacetic acid

>  <dtpname:9th C.I.>
Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-

$$$$
10416
  CML DOM 09261310112D

 19 22  0  0  0  0  0  0  0  0999 V2000
    1.2937   -7.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842   -3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170   -3.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879   -4.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2244   -5.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7535   -4.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7572   -6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6671   -8.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1753   -8.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772  -10.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955  -11.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2937   -9.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9038  -11.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1329   -9.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4320   -7.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1329   -7.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -7.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -9.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4320  -10.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
10416

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1150-62-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13N

>  <Molecular Weight (nearest integer)>
243

>  <dtpname:Chemical Name>
9-Phenylcarbazole

>  <dtpname:Chemical Name>
N-Phenylcarbazole

>  <dtpname:9th C.I.>
9H-Carbazole, 9-phenyl-

>  <dtpname:8th C.I.>
Carbazole, 9-phenyl-

$$$$
13653
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -7.1443   -6.9729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4621   -4.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234  -12.3316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4371  -12.5853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234   -9.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6335  -10.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051   -8.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253  -11.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3969   -8.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -9.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1381  -13.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7740   -6.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7703   -7.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5203   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9875   -8.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2785   -7.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
13653

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5431-91-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10O4

>  <Molecular Weight (nearest integer)>
218

$$$$
15571
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.4556   -2.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9587   -2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2577   -2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6596   -2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6596   -4.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2577   -4.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9587   -5.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5162   -1.7114    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0162   -1.7114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606   -5.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0616   -4.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606   -6.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
15571

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5456-26-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7AsO5

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-15571

$$$$
19115
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.4184   -8.6591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -6.0753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203   -4.7049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9468   -5.1685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1260   -1.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604   -2.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895   -2.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567   -3.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386   -5.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203   -7.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102   -8.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9469   -6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5367   -7.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918   -9.7158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
19115

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5444-49-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15N5

>  <Molecular Weight (nearest integer)>
217

$$$$
23123
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.6471    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 15  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <NSC>
23123

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81-63-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O2

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:Chemical Name>
1,4-Diamino-2,3-dihydroanthraquinone

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 1,4-diamino-2,3-dihydro-

>  <dtpname:8th C.I.>
Anthraquinone, 1,4-diamino-2,3-dihydro-

$$$$
26744
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -6.2207    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
26744

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6665-83-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10O3

>  <Molecular Weight (nearest integer)>
238

$$$$
176324
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.9128    3.4599    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3309    0.8198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5445   -0.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7211   -1.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1846    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7945    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2945    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7580    0.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    3.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1883   -0.7584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2993    1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7259    0.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9874    2.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  5  4  1  6  0  0  0
  8  5  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
176324

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H7ClN2O4

>  <Molecular Weight (nearest integer)>
195

>  <dtpname:Chemical Name>
Hydroxy AT 125

>  <dtpname:Chemical Name>
5-Isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydroxy-

>  <dtpname:Chemical Name>
5-Isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydroxy-, (4R-(4.alpha.,5.beta.(S*)))-

>  <dtpname:Chemical Name>
5-isoxazolecetic Acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydrxoxy-, [4R-[4.alpha.,5.beta.(S*)]]-

$$$$
29620
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
  -11.8303   -5.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1901   -3.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1901   -5.2747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5585   -8.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9766   -6.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4401   -7.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4037   -6.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9401   -7.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2266   -4.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7266   -4.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9766   -3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766   -3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7266   -2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2266   -2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766   -0.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6063   -6.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
29620

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5472-89-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H20N2O2

>  <Molecular Weight (nearest integer)>
212

$$$$
35676
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.7156    0.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5776   -0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8766   -1.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2785   -1.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0494   -0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5117   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2785   -3.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8766   -3.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1626   -2.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5776   -3.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0494   -4.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5118   -3.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4470    0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5776    0.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795   -0.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795   -3.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
35676

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
569-77-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8O5

>  <Molecular Weight (nearest integer)>
220

>  <dtpname:Chemical Name>
PURPUROGALLIN

>  <dtpname:Chemical Name>
Purpurogallin

>  <dtpname:9th C.I.>
5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy-

>  <dtpname:8th C.I.>
5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy-

$$$$
38490
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.6562    2.2380    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6562   -0.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3818    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6809    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0828    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0828    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6809    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3818   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -2.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
38490

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66904-39-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11NO3S

>  <Molecular Weight (nearest integer)>
249

>  <dtpname:Chemical Name>
Ethyl 3-(2-benzothiazolyl) pyruvate

>  <dtpname:9th C.I.>
2-Benzothiazolepropanoic acid, .alpha.-oxo-, ethyl ester

$$$$
40614
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.9216   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
40614

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3368-16-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12O2

>  <Molecular Weight (nearest integer)>
224

>  <dtpname:Chemical Name>
2-Phenylcinnamic acid

>  <dtpname:Chemical Name>
.alpha.-Phenylcinnamic acid

>  <dtpname:Chemical Name>
Atropic acid, .beta.-phenyl-

>  <dtpname:Chemical Name>
Cinnamic acid, .alpha.-phenyl-

>  <dtpname:Chemical Name>
.alpha.-Stilbenecarboxylic acid

>  <dtpname:Chemical Name>
2-Propenoic acid, 2,3-diphenyl-

>  <dtpname:9th C.I.>
Benzeneacetic acid, .alpha.-(phenylmethylene)-

>  <dtpname:8th C.I.>
Acrylic acid, 2,3-diphenyl-

$$$$
46615
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4184   -8.6591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -6.0753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203   -4.7049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9468   -5.1685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604   -2.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1260   -1.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895   -2.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567   -3.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386   -5.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5203   -7.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102   -8.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9469   -6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5367   -7.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918   -9.7158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1817  -11.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
46615

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
92546-59-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15N5O

>  <Molecular Weight (nearest integer)>
233

$$$$
51936
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <NSC>
51936

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1440-62-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H18N2O3

>  <Molecular Weight (nearest integer)>
214

$$$$
57670
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8432   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8432  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423  -14.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -9.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  3  0  0  0  0
 10 11  3  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  3  0  0  0  0
M  END
>  <NSC>
57670

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17239-69-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H6N4

>  <Molecular Weight (nearest integer)>
230

>  <dtpname:Chemical Name>
1,4-Bis(2',2'-dicyanovinyl)benzene

>  <dtpname:Chemical Name>
(p-Phenylenedimethylene)dimalononitrile

>  <dtpname:9th C.I.>
Propanedinitrile, 2,2'-(1,4-phenylenedimethylidyne)bis-

>  <dtpname:8th C.I.>
Malononitrile, (p-phenylenedimethylidyne)di-

$$$$
61910
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.3236   -8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245  -10.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245  -12.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736  -10.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
61910

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6972-23-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N3O2

>  <Molecular Weight (nearest integer)>
231

$$$$
69421
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.7267   -2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0258   -3.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277   -3.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0258   -4.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277   -4.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7267   -5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0258   -7.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1826   -9.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -7.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789  -10.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424  -11.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3998   -8.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498   -9.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1096  -12.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1133  -11.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7267   -1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7267    0.4223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7268   -7.0777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7080   -5.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <NSC>
69421

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
789-74-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O

>  <Molecular Weight (nearest integer)>
250

$$$$
79253
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -3.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
79253

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6186-13-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2O3

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
p-Aminophenyl p-hydroxycarbanilate

>  <dtpname:Chemical Name>
o-(p-Aminophenyl)-N-(p-hydroxyphenyl)urethan

>  <dtpname:Chemical Name>
Carbanilic acid, p-hydroxy-, (p-aminophenyl) ester

>  <dtpname:8th C.I.>
Carbanilic acid, p-hydroxy-, p-aminophenyl ester

$$$$
31208
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
  -13.7091   -3.1752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0774   -6.0013    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2173   -3.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5255   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0001   -4.3191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8853   -5.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2136   -2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4673   -4.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2 15  2  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
31208

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N2O2S

>  <Molecular Weight (nearest integer)>
248

$$$$
35964
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.1184    7.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3319    4.9721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    2.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184    5.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9048    4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376    5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3684    3.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026    2.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8684    3.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    5.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8732    4.4319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2998    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4145    3.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6116    6.3627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4969    7.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
35964

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N2O4

>  <Molecular Weight (nearest integer)>
238

$$$$
38743
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -9.2810   -3.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4548   -1.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6116   -3.3869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3570   -7.0599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -4.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979   -5.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5998   -5.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5998   -6.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979   -6.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4969   -4.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1070   -5.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -7.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9107   -4.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5988   -5.6041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6152   -3.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418   -2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
38743

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6939-92-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N2O4

>  <Molecular Weight (nearest integer)>
248

$$$$
40669
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -9.3585    1.5371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0595   -0.7129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0595    3.7871    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0595   -2.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3338    2.0006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3338   -0.4264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0595    2.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7604    1.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7604    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4522    0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3585    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6575   -0.7129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8703   -1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031   -2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9395   -3.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
40669

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24397-91-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11N5S

>  <Molecular Weight (nearest integer)>
209

>  <dtpname:Chemical Name>
PC 270

>  <dtpname:Chemical Name>
9H-Purine-6-thiol, 2-amino-9-propyl-

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 2-amino-1,9-dihydro-9-propyl-

>  <dtpname:8th C.I.>
9H-Purine-6-thiol, 2-amino-9-propyl

$$$$
47617
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -8.2500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
47617

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1420-91-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12O8

>  <Molecular Weight (nearest integer)>
248

$$$$
53710
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
53710

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6963-05-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12O6

>  <Molecular Weight (nearest integer)>
204

$$$$
57794
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -8.1764    4.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    2.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    7.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    1.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    5.3774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    2.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    5.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701    4.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1764    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    1.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882   -0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5699    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4754    2.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
57794

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
94489-24-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5O

>  <Molecular Weight (nearest integer)>
219

$$$$
62611
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -6.1317   -1.0365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1317   -3.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.9510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8573   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1563   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8573   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  2  7  1  0  0  0  0
  3 14  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
62611

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
716-80-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N2S

>  <Molecular Weight (nearest integer)>
212

>  <dtpname:Chemical Name>
Benzothiazole, 2-(2-pyridyl)-

>  <dtpname:Chemical Name>
2-(.alpha.-Pyridyl)benzothiazole

>  <dtpname:9th C.I.>
Benzothiazole, 2-(2-pyridinyl)-

$$$$
70534
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.3022    5.8650    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2374    4.6923    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6998    5.0261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8726    4.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1716    4.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4706    4.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4706    2.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8726    2.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1716    1.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6998    1.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2374    1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866    3.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    3.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3924    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.3256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7697    4.8408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <NSC>
70534

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N4O

>  <Molecular Weight (nearest integer)>
240

$$$$
79538
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5367   -0.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5404   -1.6566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107   -1.0465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7539    0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088   -1.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098   -1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8078   -1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8078   -3.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098   -3.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088   -4.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766    2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    2.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8686    1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5568    2.9162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
79538

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51808-10-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H11N3O2

>  <Molecular Weight (nearest integer)>
205

$$$$
31664
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.4466   -3.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700   -2.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3489   -3.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517   -3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122   -4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3094   -5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9911   -5.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5883   -5.8289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584   -2.1837    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.7084   -0.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411   -2.2232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3939   -5.6922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
31664

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6318-57-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8AsNO4

>  <Molecular Weight (nearest integer)>
233

>  <dtpname:Chemical Name>
p-Arsanilic acid, 2-hydroxy-

>  <dtpname:Chemical Name>
(4-AMINO-2-HYDROXYPHENYL)ARSONIC ACID

>  <dtpname:Chemical Name>
4-Amino-2-(hydroxybenzene)arsonic acid

>  <dtpname:Chemical Name>
Benzenearsonic acid, 4-amino-2-hydroxy-

>  <dtpname:Chemical Name>
WLN: ZR CQ D-AS-QQO

>  <dtpname:9th C.I.>
Arsonic acid, (4-amino-2-hydroxyphenyl)-

$$$$
36425
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.1782   -0.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7762   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9102   -2.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4772   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0753   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4772   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0753   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7762   -3.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7762    0.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7611   -3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1782   -3.8264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801   -3.8264    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791   -1.5764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801   -0.8264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7611   -1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
36425

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H19N3OS

>  <Molecular Weight (nearest integer)>
241

$$$$
38845
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.1566    2.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    1.8112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3635    7.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270    5.6085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536    3.6450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    9.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5806   10.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9509   10.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8942    7.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    8.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465    4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9453    4.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270    3.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536    5.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2749    1.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671    6.0267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103    7.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
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  5 15  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
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  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
38845

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13516-51-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N4S

>  <Molecular Weight (nearest integer)>
242

$$$$
41092
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -0.6266   -1.0169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177   -1.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3626    0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784    0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669   -1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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M  CHG  2  13   1  14  -1
M  END
>  <NSC>
41092

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6307-17-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9N3O2

>  <Molecular Weight (nearest integer)>
215

$$$$
47619
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.0760    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0451    1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211    0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0451   -1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1662    1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6402   -0.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6206   -0.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402    0.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  5  1  0  0  0  0
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  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
47619

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6935-31-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H20O4

>  <Molecular Weight (nearest integer)>
216

$$$$
55770
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.4899   -9.4195    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4899   -4.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908   -5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889   -5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -4.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4072   -5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889   -7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4072   -7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4899   -3.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908   -2.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889   -2.6695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
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  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
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  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
55770

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6948-43-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8ClNO

>  <Molecular Weight (nearest integer)>
206

$$$$
58907
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
  -11.5593    2.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2603    0.5577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.2603   -0.9423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5347    3.2713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5347    0.8442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2603    3.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9613    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6732   -2.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  2  0  0  0  0
  5 10  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
58907

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24397-98-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H15N5S

>  <Molecular Weight (nearest integer)>
237

$$$$
62665
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    1.8901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.8901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.3901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4554    3.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
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  2 14  1  0  0  0  0
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  7 12  1  0  0  0  0
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  7  8  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
62665

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H2Cl2N4O

>  <Molecular Weight (nearest integer)>
205

$$$$
73170
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8702    1.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5711   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
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  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
73170

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28705-92-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10ClNO4

>  <Molecular Weight (nearest integer)>
244

$$$$
80141
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
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   -0.7500   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  4 10  1  0  0  0  0
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  9 13  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <NSC>
80141

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9Cl2N

>  <Molecular Weight (nearest integer)>
250

$$$$
31741
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.4407   -3.4298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615   -3.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1416   -2.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8426   -3.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8426   -4.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1416   -5.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4407   -4.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008   -2.1923    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.6890   -0.7435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992   -2.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
31741

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6324-91-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H6AsNO3

>  <Molecular Weight (nearest integer)>
203

>  <dtpname:Chemical Name>
3-PYRIDINEARSONIC ACID

>  <dtpname:Chemical Name>
3-Pyridinearsonic acid

$$$$
36520
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    2.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
36520

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32086-89-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N4O3

>  <Molecular Weight (nearest integer)>
238

$$$$
38983
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.9240    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
38983

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3540-36-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16O4

>  <Molecular Weight (nearest integer)>
224

$$$$
42014
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
42014

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6308-29-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N2O3S

>  <Molecular Weight (nearest integer)>
228

$$$$
48964
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.2745   -1.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -7.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  3  4  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
48964

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6640-53-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2

>  <Molecular Weight (nearest integer)>
210

$$$$
56455
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -8.1764    4.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    2.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    7.1639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    1.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    5.3774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    2.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    5.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701    4.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1764    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    1.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882   -0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5699    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4754    2.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
56455

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90973-57-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5S

>  <Molecular Weight (nearest integer)>
235

$$$$
59776
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.6357   -3.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3238   -4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229   -5.4749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7797   -6.9667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1275   -3.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7376   -4.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1275   -0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048   -4.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775   -1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775    0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6683   -6.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775   -1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1356   -6.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2085   -3.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1393   -5.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6757   -3.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1275   -0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 12 18  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
59776

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
668-94-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12N2

>  <Molecular Weight (nearest integer)>
220

>  <dtpname:Chemical Name>
4,5-Diphenylimidazole

>  <dtpname:9th C.I.>
1H-Imidazole, 4,5-diphenyl-

>  <dtpname:8th C.I.>
Imidazole, 4,5-diphenyl-

$$$$
63001
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.4192   11.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <NSC>
63001

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
92437-25-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12N2O

>  <Molecular Weight (nearest integer)>
236

$$$$
75241
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
75241

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
314-42-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11BrN2O2

>  <Molecular Weight (nearest integer)>
247

>  <dtpname:Chemical Name>
H-82

>  <dtpname:Chemical Name>
Hyvar

>  <dtpname:Chemical Name>
Lorox

>  <dtpname:Chemical Name>
Isocil

>  <dtpname:Chemical Name>
KC 1215

>  <dtpname:Chemical Name>
Herbicide 82

>  <dtpname:Chemical Name>
5-Bromo-3-isopropyl-6-methyluracil

>  <dtpname:Chemical Name>
3-Isopropyl-5-bromo-6-methyluracil

>  <dtpname:Chemical Name>
5-Bromo-6-methyl-3-(1-methylethyl)-2,4(1H,3H)-pyrimidinedione

>  <dtpname:Chemical Name>
WLN: T6MVNVJ CY1 & 1 EE F1

>  <dtpname:9th C.I.>
2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylethyl)-

>  <dtpname:8th C.I.>
Uracil, 5-bromo-3-isopropyl-6-methyl-

>  <dtpname:German Name>
5-Brom-3-isopropyl-6-methyl-uracil

>  <dtpname:French Name>
Isoprocil

>  <dtpname:French Name>
5-Bromo-3-isopropyl-6-methyl, 2,4-pyrimidinedione

>  <dtpname:Dutch Name>
5-Broom-3-isopropyl-6-methyl-uracil-

>  <dtpname:Italian Name>
5-Bromo-3-isopropyl-6-metil-uracil

$$$$
81018
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -8.1192   -8.5536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1192   -5.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8202   -6.3036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211   -8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211   -4.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211  -10.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537   -3.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -1.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211   -5.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -6.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -7.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -3.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8202   -7.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -8.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -5.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -4.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 14 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
81018

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
94007-52-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O3S

>  <Molecular Weight (nearest integer)>
242

$$$$
32838
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.4140   -5.7856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4056   -2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -5.3221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761   -3.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8577   -2.6819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662   -5.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239   -3.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4396   -5.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2261   -6.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4396   -7.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -7.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4547   -6.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584   -7.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761   -8.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239   -8.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949   -9.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -9.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
32838

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6252-98-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N2O2

>  <Molecular Weight (nearest integer)>
202

$$$$
36582
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.2231   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
36582

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
68281-25-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13NO3

>  <Molecular Weight (nearest integer)>
219

$$$$
39336
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
  -10.5940    2.2504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2949    0.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2949    4.5004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2949   -1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5693    2.7139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5693    0.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2949    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9959    2.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9959    0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6876    1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5940    0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8930    0.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1058   -1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6385   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7078   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
39336

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
30546-08-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H13N5S

>  <Molecular Weight (nearest integer)>
223

>  <dtpname:Chemical Name>
9-BTG

>  <dtpname:Chemical Name>
PC 246

>  <dtpname:Chemical Name>
SK 25531

>  <dtpname:Chemical Name>
9-Butyl-6-thioguanine

>  <dtpname:Chemical Name>
9H-Purine-6-thiol, 2-amino-9-butyl-

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 2-amino-9-butyl-1,9-dihydro-

>  <dtpname:8th C.I.>
9H-Purine-6(1H)-thione, 2-amino-9-butyl-

$$$$
42846
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.5726   -4.4287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725   -7.4287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745   -4.4287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177   -2.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995   -3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958   -5.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1706   -4.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4697   -5.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8716   -5.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8716   -6.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4697   -6.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1706   -7.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735   -5.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735   -6.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745   -7.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1 10  1  0  0  0  0
  2 15  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
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 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
42846

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91959-07-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H15N3

>  <Molecular Weight (nearest integer)>
213

$$$$
49652
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   11.1423    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
49652

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2875-25-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11NO2

>  <Molecular Weight (nearest integer)>
225

$$$$
57103
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5519    1.1846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4490    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8509    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8509   -1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4490   -1.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500   -1.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5519   -1.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529    0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2528   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7480    1.1846    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -10.0471    0.4346    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.7480    2.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500   -3.3154    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -7.4490   -4.0654    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8509   -4.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    2.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  4  11   1  12  -1  14   1  15  -1
M  END
>  <NSC>
57103

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1084-32-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H5N3O5

>  <Molecular Weight (nearest integer)>
235

$$$$
60034
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0688   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  2 12  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
60034

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6630-20-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N2O2

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
1,2-bis(6-methylpyridin-2-yl)ethane-1,2-diol

$$$$
63865
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.7422   -1.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4326   -0.3013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646   -1.3028    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   -0.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0178   -0.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1022   -2.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -2.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446   -1.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7986    1.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7338    2.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865    1.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2257    2.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
63865

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58-85-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H16N2O3S

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
BIOTIN

>  <dtpname:Chemical Name>
Bios II

>  <dtpname:Chemical Name>
d-Biotin

>  <dtpname:Chemical Name>
Factor S

>  <dtpname:Chemical Name>
Injacom H

>  <dtpname:Chemical Name>
(+)-Biotin

>  <dtpname:Chemical Name>
Bioepiderm

>  <dtpname:Chemical Name>
Vitamin B7

>  <dtpname:Chemical Name>
Coenzyme R

>  <dtpname:Chemical Name>
-(+)-Biotin

>  <dtpname:Chemical Name>
Factor S (vitamin)

>  <dtpname:Chemical Name>
component of Deca-Vi-Sol

>  <dtpname:9th C.I.>
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3a.alpha.,4.beta.,6a.alpha.)]-

>  <dtpname:8th C.I.>
Biotin

>  <dtpname:VAN>
Vitamin H

$$$$
75885
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.2745    7.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 15  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
75885

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N4O

>  <Molecular Weight (nearest integer)>
234

$$$$
81120
  CML DOM 09261310112D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <NSC>
81120

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
258-08-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H11NS

>  <Molecular Weight (nearest integer)>
249

>  <dtpname:Chemical Name>
12H-Benzo[b]phenothiazine

$$$$
33005
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -7.6317   -1.0365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -3.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -4.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
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  3  5  2  0  0  0  0
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M  END
>  <NSC>
33005

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6265-56-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9NO2S

>  <Molecular Weight (nearest integer)>
243

$$$$
37003
  CML DOM 09261310112D

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   -8.5442   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  1  0  0  0  0
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M  CHG  2   7   1   8  -1
M  END
>  <NSC>
37003

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
96-57-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N2O4S

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:9th C.I.>
Benzenesulfonamide, N,N,4-trimethyl-3-nitro-

>  <dtpname:8th C.I.>
p-Toluenesulfonamide, N,N-dimethyl-3-nitro-

$$$$
40383
  CML DOM 09261310112D

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    4.7747   -2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
40383

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N6

>  <Molecular Weight (nearest integer)>
226

$$$$
44688
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
44688

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39683-24-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N2O3

>  <Molecular Weight (nearest integer)>
232

$$$$
49701
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
M  END
>  <NSC>
49701

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
93001-35-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N4O

>  <Molecular Weight (nearest integer)>
230

$$$$
57165
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.2231    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
57165

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91091-02-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N2S

>  <Molecular Weight (nearest integer)>
202

$$$$
60266
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
60266

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5518-76-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N2O3S

>  <Molecular Weight (nearest integer)>
228

>  <dtpname:9th C.I.>
5-Pyrimidinecarboxylic acid, 2-(ethylthio)-1,4-dihydro-4-oxo-, ethyl ester

$$$$
63963
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  -10.2408   -4.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <NSC>
63963

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
118-68-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N2.C2H4O2

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:USAN>
Etryptamine Acetate

>  <dtpname:USAN>
Etryptamine acetate

>  <dtpname:Chemical Name>
Monase

>  <dtpname:Chemical Name>
U-17312E

>  <dtpname:Chemical Name>
Atryptamin acetate

>  <dtpname:Chemical Name>
3-(2-Aminobutyl)indole acetate

>  <dtpname:Chemical Name>
.alpha.-Ethyltryptamine acetate

>  <dtpname:Chemical Name>
Indole-3-(2-aminobutyl) acetate

>  <dtpname:Chemical Name>
D-3-(2-Aminobutyl)indole, acetate

>  <dtpname:Chemical Name>
DL-.alpha.-Ethyltryptamine acetate

>  <dtpname:Chemical Name>
3-(2-Aminobutyl)indole monoacetate

>  <dtpname:Chemical Name>
Indole, 3-(2-aminobutyl)-, acetate

>  <dtpname:Chemical Name>
Indole, 3-(2-aminobutyl)-, acetate, D-

>  <dtpname:Chemical Name>
Indole-3-ethylamine, .alpha.-ethyl-, monoacetate

>  <dtpname:Chemical Name>
WLN: T56 BMJ D1YZ2 &QV1

>  <dtpname:Chemical Name>
WLN: T56 BMJ D1YZ2 & OV1

>  <dtpname:9th C.I.>
1H-Indole-3-ethanamine, .alpha.-ethyl-, monoacetate

>  <dtpname:8th C.I.>
Indole, 3-(2-aminobutyl)-, monoacetate

$$$$
77596
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.8202   -6.3036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211   -8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211   -4.0536    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537   -3.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -1.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211   -5.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -6.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -7.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -3.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8202   -7.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1192   -8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -8.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -5.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -4.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
77596

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
94466-31-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14ClN3O2

>  <Molecular Weight (nearest integer)>
244

$$$$
81213
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.0197   -6.0736    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4216   -3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207   -3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226   -3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226   -5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207   -5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4216   -6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -3.0736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0735   -4.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -2.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8235   -6.0736    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4755   -5.3236    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8235   -7.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
81213

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13852-81-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5ClN2O4S

>  <Molecular Weight (nearest integer)>
237

$$$$
34774
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.6016    3.7497    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2806    0.5577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2841    1.6726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4276    5.3817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2710    3.8899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720    3.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3858    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759    1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5261    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0261    0.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763   -1.0821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763   -1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8530    3.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3163    4.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7835    4.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125    5.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7758    7.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
34774

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
92203-78-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N2O4S

>  <Molecular Weight (nearest integer)>
230

$$$$
37812
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4063   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1563   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -3.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4063   -3.5491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747   -1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747   -3.4635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 10  2  0  0  0  0
  6 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <NSC>
37812

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2612-72-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N2S

>  <Molecular Weight (nearest integer)>
212

>  <dtpname:Chemical Name>
2-(3-Pyridyl)benzothiazole

>  <dtpname:9th C.I.>
Benzothiazole, 2-(3-pyridinyl)-

>  <dtpname:8th C.I.>
Benzothiazole, 2-(3-pyridyl)-

$$$$
40467
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -1.2991    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -2.7991    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1681   -4.6892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
40467

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3467-29-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8S3

>  <Molecular Weight (nearest integer)>
224

$$$$
45153
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -8.1764    4.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    7.1639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    2.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    1.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    5.3774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    2.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    1.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8774    5.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701    4.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1764    3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882   -0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5699    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
45153

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
42204-09-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N4OS

>  <Molecular Weight (nearest integer)>
222

>  <dtpname:Chemical Name>
AX 56

>  <dtpname:Chemical Name>
SK 25533

>  <dtpname:Chemical Name>
9H-Purine-6-thiol, 9-(tetrahydro-2-furyl)-

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 1,9-dihydro-9-(tetrahydro-2-furanyl)-

$$$$
50633
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
50633

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
16715-79-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15NO4

>  <Molecular Weight (nearest integer)>
237

>  <dtpname:Chemical Name>
2',4'-Dimethoxyacetoacetanilide

>  <dtpname:9th C.I.>
Butanamide, N-(2,4-dimethoxyphenyl)-3-oxo-

>  <dtpname:8th C.I.>
Acetoacetanilide, 2',4'-dimethoxy-

$$$$
57318
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.5912    1.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6982    0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4129   -0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994    0.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2246    3.0645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0776   -0.6868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678    0.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
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M  END
>  <NSC>
57318

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6946-42-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H19NO3

>  <Molecular Weight (nearest integer)>
225

$$$$
60419
  CML DOM 09261310112D

 16 19  0  0  0  0  0  0  0  0999 V2000
   -0.9240   -1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229   -4.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6229   -4.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3729   -6.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729   -6.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <NSC>
60419

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7148-92-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H9N

>  <Molecular Weight (nearest integer)>
203

>  <dtpname:9th C.I.>
Indeno[1,2,3-de]isoquinoline

>  <dtpname:8th C.I.>
Indeno[1,2,3-de]isoquinoline

$$$$
66837
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
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  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
66837

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6964-71-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H14N2O3S

>  <Molecular Weight (nearest integer)>
230

$$$$
78130
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
  -11.1423    6.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    5.9183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    4.4183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433    5.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    6.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5443    8.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433    8.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423    8.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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  6  7  1  0  0  0  0
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  9 11  2  0  0  0  0
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 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
78130

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N5O

>  <Molecular Weight (nearest integer)>
243

$$$$
81660
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.8861    0.8374    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    0.8487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0847    0.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    1.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840   -0.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160   -0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8817   -0.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2523   -2.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6855    2.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3219    2.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713   -1.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623   -1.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675   -3.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9654    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
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  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
81660

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55234-12-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H15NO3S

>  <Molecular Weight (nearest integer)>
217

>  <dtpname:9th C.I.>
4-Thiazolidinecarboxylic acid, 3-formyl-2,2,5,5-tetramethyl-

$$$$
34777
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.6016    3.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2710    3.8899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720    3.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3858    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759    1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5261    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8530    3.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3163    4.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7835    4.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125    5.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7758    7.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
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  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
34777

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
92203-27-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N2O5

>  <Molecular Weight (nearest integer)>
214

$$$$
38042
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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 15 17  1  0  0  0  0
M  END
>  <NSC>
38042

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6337-46-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15NO4

>  <Molecular Weight (nearest integer)>
237

$$$$
40500
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -3.2896   -3.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630   -3.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2476   -5.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 15  1  0  0  0  0
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M  END
>  <NSC>
40500

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15NO4

>  <Molecular Weight (nearest integer)>
237

$$$$
45291
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
45291

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13225-84-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2S

>  <Molecular Weight (nearest integer)>
214

$$$$
51331
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -6.8702    3.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9731   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  3 10  2  0  0  0  0
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  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
51331

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6344-76-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N2S

>  <Molecular Weight (nearest integer)>
238

$$$$
57345
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.6946    8.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9666    9.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0575    7.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1157    8.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5538    7.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649    3.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659    4.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4332    3.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649    2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4332    2.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0835    4.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933    6.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
57345

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6946-64-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H22O3

>  <Molecular Weight (nearest integer)>
226

$$$$
61888
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.6471    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  2  0  0  0  0
  3  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
61888

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3295-58-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13N

>  <Molecular Weight (nearest integer)>
207

$$$$
67546
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.6773   -1.0337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680    1.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4594    1.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9635   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541   -3.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384   -3.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0428    1.6220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5026    0.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3474    0.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
67546

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H17NO4

>  <Molecular Weight (nearest integer)>
203

$$$$
79139
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.0666    1.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6647   -3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
79139

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54-82-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14N2

>  <Molecular Weight (nearest integer)>
246

$$$$
81703
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -3.8805   -5.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4785   -5.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1795   -6.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9051   -6.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2786   -5.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8887   -6.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7868   -5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0070   -7.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5152   -7.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1795   -2.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -3.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2824   -4.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166   -3.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
81703

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5531-70-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N2

>  <Molecular Weight (nearest integer)>
224

$$$$
83715
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.7500   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3  5  1  0  0  0  0
  4 10  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <NSC>
83715

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6584-41-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13N3

>  <Molecular Weight (nearest integer)>
247

$$$$
88998
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.1138    0.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0866    2.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9930    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5712    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0364    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3287    1.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8391    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7888   -0.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3581   -0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8192   -0.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158    0.1557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8279   -2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -2.8442    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1313   -2.8291    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
88998

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63142-83-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H15Cl2NO

>  <Molecular Weight (nearest integer)>
236

$$$$
93817
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.7298   -3.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7298   -5.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663   -7.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518   -4.3611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4555   -2.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545   -3.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564   -3.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564   -5.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545   -5.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4555   -5.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0535   -5.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3526   -5.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6516   -5.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0535   -7.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6516   -7.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3526   -8.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -4.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  2  3  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
93817

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17371-99-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9NOS

>  <Molecular Weight (nearest integer)>
227

>  <dtpname:8th C.I.>
2-Benzoxazolinethione, 5-phenyl-

$$$$
102086
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.8211   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  2   7   1   8  -1
M  END
>  <NSC>
102086

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74051-52-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H11N3O2S

>  <Molecular Weight (nearest integer)>
237

>  <dtpname:Chemical Name>
1-Allyl-3-(3'-nitrophenyl)-2-thiourea

>  <dtpname:Chemical Name>
Urea, 1-allyl-3-(m-nitrophenyl)-2-thio-

>  <dtpname:9th C.I.>
Thiourea, N-(3-nitrophenyl)-N'-2-propenyl-

$$$$
106570
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.9800   -5.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809   -3.3365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800   -8.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800   -4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819   -5.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819   -4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809   -6.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2790   -7.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5780   -8.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2790   -6.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8771   -7.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5781   -5.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8771   -6.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2790   -3.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809   -7.8365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -6.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -4.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -3.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6 18  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
106570

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1866-43-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N4

>  <Molecular Weight (nearest integer)>
238

>  <dtpname:USAN>
Rolodine

>  <dtpname:Chemical Name>
Rolodin

>  <dtpname:Chemical Name>
BW 58271

>  <dtpname:Chemical Name>
BW 58 271

>  <dtpname:Chemical Name>
BW 58-271

>  <dtpname:Chemical Name>
2-Methyl-4-(benzylamino)-pyrrolo-[2,3d]pyrimidine

>  <dtpname:Chemical Name>
4-(Benzylamino)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine

>  <dtpname:Chemical Name>
WLN: T56 BM GN INJ FM1R& H1

>  <dtpname:9th C.I.>
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 2-methyl-N-(phenylmethyl)-

>  <dtpname:8th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine, 4-(benzylamino)-2-methyl-

$$$$
109174
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <NSC>
109174

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27132-52-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N3O2

>  <Molecular Weight (nearest integer)>
241

$$$$
117554
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
117554

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4528-68-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18O

>  <Molecular Weight (nearest integer)>
250

>  <dtpname:Chemical Name>
4,4-Diphenylcyclohexanone

>  <dtpname:9th C.I.>
Cyclohexanone, 4,4-diphenyl-

>  <dtpname:8th C.I.>
Cyclohexanone, 4,4-diphenyl-

$$$$
122297
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.8536   -4.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <NSC>
122297

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1018-36-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N3O2S

>  <Molecular Weight (nearest integer)>
239

$$$$
126757
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.4064   -4.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4064   -6.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7055   -7.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0045   -6.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0045   -4.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7055   -4.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9798   -4.4466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.6026   -6.4101    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.3035   -8.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  9  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
126757

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41926-59-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N6O2

>  <Molecular Weight (nearest integer)>
220

>  <dtpname:Chemical Name>
1-(5-nitro-1H-benzo[d]imidazol-2-yl)guanidine

$$$$
56906
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.3750    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  2  0  0  0  0
  3  6  1  0  0  0  0
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  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
56906

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
89897-46-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H10N4O2S

>  <Molecular Weight (nearest integer)>
214

$$$$
85179
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.1716   -9.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1716   -3.2745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -5.5245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
85179

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13452-67-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12ClF2N

>  <Molecular Weight (nearest integer)>
220

$$$$
89249
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2   7   1   8  -1
M  END
>  <NSC>
89249

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41578-77-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N2O4

>  <Molecular Weight (nearest integer)>
224

$$$$
96491
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8266    1.9751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890    2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4617    1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7608    2.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0598    1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0598   -0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4081    2.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7608   -2.3763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3589   -0.8763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579   -0.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
96491

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H23N3O2

>  <Molecular Weight (nearest integer)>
241

$$$$
102288
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    9.2848    5.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1664    4.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8582    4.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5591    5.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    4.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4252    4.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2848    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8582    3.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    3.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5591    2.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    3.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    2.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    1.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620    3.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9611    2.5565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
102288

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15N3O

>  <Molecular Weight (nearest integer)>
205

$$$$
106863
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0490   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1471   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
106863

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2O3

>  <Molecular Weight (nearest integer)>
242

$$$$
109466
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
109466

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15NO3

>  <Molecular Weight (nearest integer)>
245

$$$$
117741
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5221   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
117741

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
76594-24-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7N3O3

>  <Molecular Weight (nearest integer)>
217

$$$$
122376
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.4194   -0.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1321   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4312   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8331   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7302   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0293   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5341   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240   -3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8331   -4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4312   -4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0293   -4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322   -3.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -1.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1321   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7302   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4158   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
122376

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21053-55-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14O2

>  <Molecular Weight (nearest integer)>
226

$$$$
128141
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
128141

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H20N2O2

>  <Molecular Weight (nearest integer)>
236

$$$$
70959
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5221    7.3995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    7.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
70959

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7150-30-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5ClN4O2

>  <Molecular Weight (nearest integer)>
201

$$$$
85326
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
85326

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5096-97-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H13N5O2

>  <Molecular Weight (nearest integer)>
211

$$$$
89258
  CML DOM 09261310112D

 17 20  0  0  0  0  0  0  0  0999 V2000
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <NSC>
89258

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
200-23-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10O

>  <Molecular Weight (nearest integer)>
218

>  <dtpname:9th C.I.>
Benzo[kl]xanthene

>  <dtpname:8th C.I.>
Benzo[kl]xanthene

$$$$
98683
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5230   -1.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230   -4.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -3.8520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211   -6.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4201   -3.8520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102   -0.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8467   -1.8884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7284   -3.1020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211   -1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4201   -2.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -2.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8467   -4.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211   -4.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211   -0.1020    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8220    0.6480    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.4201    0.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102   -5.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
98683

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5N5O4

>  <Molecular Weight (nearest integer)>
211

$$$$
103770
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1099    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3472   -0.8728    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280    0.8403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0214    1.2510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1195   -0.9134    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3567    0.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9589    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376   -1.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0119   -1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682   -0.7346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778    0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    1.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
103770

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H3N5OS2

>  <Molecular Weight (nearest integer)>
213

$$$$
108235
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -9.8433    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5443    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
108235

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64000-76-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11N5O

>  <Molecular Weight (nearest integer)>
229

$$$$
109719
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.1844    6.9918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6762    7.1485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7536    5.4664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2863    5.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
109719

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7639-52-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6ClN3

>  <Molecular Weight (nearest integer)>
204

$$$$
117922
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.0490   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
117922

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6N4O4

>  <Molecular Weight (nearest integer)>
210

$$$$
122987
  CML DOM 09261310112D

 16 21  0  0  0  0  0  0  0  0999 V2000
    3.4189   -1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606   -0.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926    0.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464    0.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881    0.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163    3.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6849    4.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2573    3.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2586    4.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0932    1.9967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
122987

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
93045-13-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N2

>  <Molecular Weight (nearest integer)>
212

$$$$
128737
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
  -10.8657    1.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3985    1.1809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2838    2.1845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6120   -0.9210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9426   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -2.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9426   -2.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436   -3.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6157    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8657    1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1157    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6157    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1157    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -3.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2  3  1  0  0  0  0
  4 10  2  0  0  0  0
  4 15  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
128737

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29528-22-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N4

>  <Molecular Weight (nearest integer)>
210

$$$$
71795
  CML DOM 09261310112D

 20 23  0  0  0  0  0  0  0  0999 V2000
  -10.3563   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700   -1.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -3.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -6.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <NSC>
71795

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
519-23-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14N2

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
NSC 71795

>  <dtpname:Chemical Name>
Ellipticine

>  <dtpname:Chemical Name>
ELLIPTICINE

>  <dtpname:Chemical Name>
Elliptisine

>  <dtpname:Chemical Name>
ELLIPTICINE

>  <dtpname:Chemical Name>
5,11-Dimethyl-6H-pyrido[4,3-b]carbazole

>  <dtpname:Chemical Name>
WLN: T D6 B656 FN LMJ C1 J1

>  <dtpname:9th C.I.>
6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-

>  <dtpname:8th C.I.>
6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-

$$$$
87352
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1226   -3.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207   -3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0197   -4.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4216   -4.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4216   -6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0197   -6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207   -6.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6178   -7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187   -6.8236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5687   -8.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -4.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
87352

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O3S

>  <Molecular Weight (nearest integer)>
212

$$$$
89723
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.3869    8.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6859    7.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122    7.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122    6.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6859    6.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869    5.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    5.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2840    6.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869    9.8299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869    3.8299    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869    3.8299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869    2.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1131    3.8299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2112    8.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    7.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
89723

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54179-10-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12N2O4S

>  <Molecular Weight (nearest integer)>
232

$$$$
98857
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -6.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
98857

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54810-03-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9NS

>  <Molecular Weight (nearest integer)>
211

>  <dtpname:Chemical Name>
6(5H)-Phenanthridinethione

$$$$
103775
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.5857   -0.0576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6471   -1.5564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2408   -2.0780    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193    0.2133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -1.8071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5257   -0.3084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1413    0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3101   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887   -0.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198   -2.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6197    1.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591    2.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5768    2.9084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    2.6569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
103775

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H4N6OS2

>  <Molecular Weight (nearest integer)>
228

$$$$
108750
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.8156   -2.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3484   -3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3558   -5.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1151   -4.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8886   -5.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -7.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0016   -7.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3067   -8.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006   -6.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996   -7.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -9.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0016   -9.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996   -9.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006   -9.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8886  -11.1249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067   -8.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5567   -9.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5567   -7.1857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
108750

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28858-03-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O

>  <Molecular Weight (nearest integer)>
250

$$$$
111552
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <NSC>
111552

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
40420-48-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10O3

>  <Molecular Weight (nearest integer)>
202

$$$$
120286
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.5211   -5.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -1.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.7990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6240   -3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537   -3.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -7.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5211   -8.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8202   -7.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8202   -6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9230   -8.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9230   -5.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -3.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
120286

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H8N4OS

>  <Molecular Weight (nearest integer)>
220

$$$$
123141
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
123141

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29571-39-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N2O3S

>  <Molecular Weight (nearest integer)>
214

$$$$
128751
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    4.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2382    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6563    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    5.9882    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9063    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9063    4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1563    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
128751

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3574-96-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9ClN2

>  <Molecular Weight (nearest integer)>
229

$$$$
73054
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
73054

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6830-78-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N4

>  <Molecular Weight (nearest integer)>
234

>  <dtpname:Chemical Name>
Diphenyl-s-tetrazine

>  <dtpname:Chemical Name>
3,6-Diphenyltetrazine

>  <dtpname:Chemical Name>
3,6-Diphenyl-s-tetrazine

>  <dtpname:Chemical Name>
3,6-Diphenyl-sym-tetrazine

>  <dtpname:Chemical Name>
3,6-Diphenyl-1,2,4,5-tetrazine

>  <dtpname:9th C.I.>
1,2,4,5-Tetrazine, 3,6-diphenyl-

>  <dtpname:8th C.I.>
s-Tetrazine, 3,6-diphenyl-

$$$$
87822
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.3481    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3971   -4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
87822

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3325-34-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H17N2O3P

>  <Molecular Weight (nearest integer)>
244

$$$$
91516
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -8.0687   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 12  1  0  0  0  0
  2  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
91516

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35779-39-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N2O2

>  <Molecular Weight (nearest integer)>
212

>  <dtpname:Chemical Name>
3,3'-Pyridil

>  <dtpname:9th C.I.>
Ethanedione, di-3-pyridinyl-

$$$$
99796
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -6.9554   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -2.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2544   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2544   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5535   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  2  0  0  0  0
  3  6  2  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
99796

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
481-71-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H6O5

>  <Molecular Weight (nearest integer)>
230

>  <dtpname:Chemical Name>
Khellinquinone

>  <dtpname:Chemical Name>
Khelline-quinone

$$$$
106208
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.1263    6.1695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    2.2009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    1.9200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010    1.3582    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3672    4.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128    3.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0863    3.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5797    5.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997    6.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676   -0.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3610   -2.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476    0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3210    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145   -1.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0932    7.8669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8406    4.4721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
106208

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74037-43-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10ClN5

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:Chemical Name>
3-[(o-Chlorophenyl)azo]-2,6-diaminopyridine

>  <dtpname:Chemical Name>
Pyridine, 3-[(o-chlorophenyl)azo]-2,6-diamino-

>  <dtpname:9th C.I.>
2,6-Pyridinediamine, 3-[(2-chlorophenyl)azo]-

$$$$
108753
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.2628    6.1154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2628    7.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8608    6.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5618    5.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1599    5.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.1599    3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2628    3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637    5.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637    3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8608    3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4589    3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2628    1.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5618    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8608    0.1153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    0.1154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <NSC>
108753

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
30197-76-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N3

>  <Molecular Weight (nearest integer)>
209

$$$$
112677
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.0409   -5.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5774   -6.4404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -6.9040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -6.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508   -6.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508   -8.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -9.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -8.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5774   -8.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508   -7.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590   -7.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609   -9.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792  -10.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875  -10.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -4.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3444   -4.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
112677

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N2O

>  <Molecular Weight (nearest integer)>
240

$$$$
120307
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6226   -1.2255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2453    0.7381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7089    2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1270   -0.4754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2453   -1.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7089   -3.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
120307

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15908-70-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9N5O

>  <Molecular Weight (nearest integer)>
227

$$$$
124146
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2435   -5.2721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701   -4.8085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0972   -4.8085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337   -7.9985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238   -5.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238   -6.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336   -3.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1336   -3.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837   -5.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701   -6.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0972   -6.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -7.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337   -7.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373   -8.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300   -9.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0071   -9.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9052  -10.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
124146

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H15N3O2

>  <Molecular Weight (nearest integer)>
245

$$$$
68982
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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  3  4  1  0  0  0  0
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  6  8  2  0  0  0  0
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  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <NSC>
68982

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5051-62-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8Cl2N4

>  <Molecular Weight (nearest integer)>
231

>  <dtpname:USAN>
Guanabenz

>  <dtpname:Chemical Name>
GBZ

>  <dtpname:Chemical Name>
Wy-8678

>  <dtpname:Chemical Name>
Wy 8678 base

>  <dtpname:Chemical Name>
[(2,6-Dichlorobenzylidene)amino]guanidine

>  <dtpname:Chemical Name>
N-(2,6-Dichlorobenzylidene)-N'-amidinohydrazine

>  <dtpname:9th C.I.>
Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-

>  <dtpname:8th C.I.>
Guanidine, [(2,6-dichlorobenzylidene)amino]-

$$$$
101653
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.9730   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -9.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 14  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
101653

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13943-17-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H15N3O2

>  <Molecular Weight (nearest integer)>
209

$$$$
88811
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.3657   -9.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657   -5.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666   -7.6154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324   -3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324   -5.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -6.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666   -6.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -5.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647   -6.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647   -7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657   -8.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666  -10.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324   -9.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315  -10.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
88811

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6203-91-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2O

>  <Molecular Weight (nearest integer)>
212

$$$$
92207
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.5712   -3.6495    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -9.4683    0.1005    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.1692    2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
92207

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18472-02-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H5FN2O3

>  <Molecular Weight (nearest integer)>
208

$$$$
100120
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -11.4150   -0.2370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6865    2.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0415   -1.2937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1598   -2.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4314    2.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0048    0.5401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8049    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3131    1.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4314    0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0048    2.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5333   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4210    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7913   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3642   -2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9481   -1.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345   -2.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371   -0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1507   -2.9866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
100120

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N5O

>  <Molecular Weight (nearest integer)>
241

$$$$
106282
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.1317    8.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573    8.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1564    7.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    7.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1564    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317    5.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    7.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573    5.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718    3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2120    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6792    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1391    3.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1428    2.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682    9.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    7.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682    4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009    4.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 17  1  0  0  0  0
 10 12  2  0  0  0  0
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 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
106282

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59411-02-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15NO

>  <Molecular Weight (nearest integer)>
249

$$$$
108972
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.6073   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6073   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -2.1766    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3452   -3.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181   -6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
108972

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9NO3S

>  <Molecular Weight (nearest integer)>
223

$$$$
113486
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
113486

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H15N5O

>  <Molecular Weight (nearest integer)>
209

$$$$
120844
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.1945    8.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9445    4.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    5.8440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945    6.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    5.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445    4.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628    3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8346    6.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9493    5.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    7.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    5.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
120844

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H22N2O

>  <Molecular Weight (nearest integer)>
210

$$$$
125043
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
  -11.9275   -5.8129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1775   -7.1119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5534   -5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2544   -4.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6563   -3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3573   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9238   -4.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7102   -6.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <NSC>
125043

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N4

>  <Molecular Weight (nearest integer)>
212

$$$$
50405
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.5262    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142    4.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.7395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3383    4.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3025    2.7395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <NSC>
50405

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6344-31-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C3H6O4S3

>  <Molecular Weight (nearest integer)>
202

$$$$
34488
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.9731   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977   -1.6860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977   -4.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8794   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9285   -5.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4613   -5.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3920   -7.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3883   -8.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4576   -6.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9211   -8.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
 10 12  2  0  0  0  0
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 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
34488

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N5

>  <Molecular Weight (nearest integer)>
239

$$$$
88883
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.1444   -8.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808  -10.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1407   -7.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864  -10.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -5.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1718  -10.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1802   -7.7248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <NSC>
88883

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2147-83-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N3O

>  <Molecular Weight (nearest integer)>
215

$$$$
92709
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.2721   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -0.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
92709

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5580-87-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O3

>  <Molecular Weight (nearest integer)>
210

$$$$
101266
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    1.8540   -0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380   -0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3981   -0.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7925   -1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8349   -3.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0109   -2.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8276    3.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    2.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
101266

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13515-36-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17N3O

>  <Molecular Weight (nearest integer)>
219

$$$$
106461
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -6.9236    6.5370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9452    2.6541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7279    3.6413    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9731    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
106461

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2726-92-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N4S

>  <Molecular Weight (nearest integer)>
240

$$$$
109084
  CML DOM 09261310112D

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   -0.1005   -3.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
109084

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N2O

>  <Molecular Weight (nearest integer)>
214

$$$$
114490
  CML DOM 09261310112D

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    2.0491   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
114490

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3488-55-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O

>  <Molecular Weight (nearest integer)>
226

$$$$
121781
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.3096   -8.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -9.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596   -6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596   -9.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6904   -8.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -8.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   -9.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4404   -6.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   -6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903   -5.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403   -4.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
121781

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29602-15-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O2

>  <Molecular Weight (nearest integer)>
240

$$$$
125727
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.3299    2.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    0.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299   -2.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799   -0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5799   -0.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3299    2.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3299    0.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3299   -2.2112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8299    0.3869    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <NSC>
125727

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6306-20-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O2S

>  <Molecular Weight (nearest integer)>
226

$$$$
42212
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -5.2838    2.1846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3985    1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8657    1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6157    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6120   -0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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 15 16  2  0  0  0  0
M  END
>  <NSC>
42212

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
641-63-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9NO2

>  <Molecular Weight (nearest integer)>
223

>  <dtpname:Chemical Name>
Pyrophthalone

>  <dtpname:Chemical Name>
2-(2-Pyridyl)-1,3-indandione

>  <dtpname:Chemical Name>
2-(2'-Pyridyl)-indan-1,3-dione

>  <dtpname:Chemical Name>
2-(1,3-Dioxohydrindenyl-(2))pyridine

>  <dtpname:9th C.I.>
1H-Indene-1,3(2H)-dione, 2-(2-pyridinyl)-

>  <dtpname:8th C.I.>
1,3-Indandione, 2-(2-pyridyl)-

$$$$
34769
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -9.2694   -0.4586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0061   -0.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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M  END
>  <NSC>
34769

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8ClN3O3

>  <Molecular Weight (nearest integer)>
218

$$$$
88962
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   -8.2544   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  2  0  0  0  0
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  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
88962

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10O5

>  <Molecular Weight (nearest integer)>
210

$$$$
92794
  CML DOM 09261310112D

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M  CHG  2  13   1  14  -1
M  END
>  <NSC>
92794

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77806-34-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N3O3

>  <Molecular Weight (nearest integer)>
245

$$$$
101777
  CML DOM 09261310112D

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M  CHG  2  11   1  12  -1
M  END
>  <NSC>
101777

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20926-58-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H15N2O5P

>  <Molecular Weight (nearest integer)>
250

$$$$
106506
  CML DOM 09261310112D

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M  END
>  <NSC>
106506

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O

>  <Molecular Weight (nearest integer)>
224

>  <dtpname:Chemical Name>
Carbazole-2-acetamide

$$$$
109086
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
109086

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N2O

>  <Molecular Weight (nearest integer)>
228

$$$$
114831
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
114831

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91179-44-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13NO6

>  <Molecular Weight (nearest integer)>
243

$$$$
122280
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
122280

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19950-83-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8N2OS

>  <Molecular Weight (nearest integer)>
204

>  <dtpname:8th C.I.>
1H-[1,4]Thiazino[4,3-a]benzimidazol-4(3H)-one

$$$$
126405
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
126405

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17581-52-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H2Cl4N2

>  <Molecular Weight (nearest integer)>
232

$$$$
50572
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -1.2324    3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6647    1.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9637    3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9637    8.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 16  1  0  0  0  0
M  END
>  <NSC>
50572

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N4S

>  <Molecular Weight (nearest integer)>
248

$$$$
118723
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   11.4168   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1178   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -3.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -3.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  7  8  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
118723

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17N3

>  <Molecular Weight (nearest integer)>
239

$$$$
129260
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.6069   -7.7474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027   -5.3657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3392   -3.9391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0425   -2.7256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3079   -9.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6069  -10.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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  4  5  1  0  0  0  0
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  8 11  2  0  0  0  0
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 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
129260

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H8FN3S2

>  <Molecular Weight (nearest integer)>
241

$$$$
143348
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.3750    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9240    7.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    7.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
143348

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21487-27-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N3S

>  <Molecular Weight (nearest integer)>
243

$$$$
152551
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -2.8995   -3.5221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1495   -2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  6  7  2  0  0  0  0
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  8 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
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 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
152551

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25387-27-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12N2O

>  <Molecular Weight (nearest integer)>
236

$$$$
159031
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    9.2315    0.3169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8716   -2.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1707   -2.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
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  3  5  2  0  0  0  0
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  4  7  2  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <NSC>
159031

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5883-96-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13NO

>  <Molecular Weight (nearest integer)>
223

$$$$
166583
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
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    4.7558   -0.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
166583

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58885-15-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H4Cl2N4O

>  <Molecular Weight (nearest integer)>
219

$$$$
177989
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   11.1803    2.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2950    3.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1617    1.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9188    1.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0335    2.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
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  3  4  1  0  0  0  0
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  5 17  1  0  0  0  0
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M  END
>  <NSC>
177989

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15NO4

>  <Molecular Weight (nearest integer)>
237

$$$$
204920
  CML DOM 09261310112D

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M  CHG  2  15   1  16  -1
M  END
>  <NSC>
204920

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1023-66-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2O2

>  <Molecular Weight (nearest integer)>
226

$$$$
236246
  CML DOM 09261310112D

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M  CHG  4   1  -1   3   1   7   1   8  -1
M  END
>  <NSC>
236246

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17036-81-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11N3O3

>  <Molecular Weight (nearest integer)>
233

$$$$
282187
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
282187

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71848-08-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9FN2O3

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:Chemical Name>
Carbamic acid, (4-fluorophenyl)-, 1,2-dihydro-2-oxo-3-pyridinyl ester

$$$$
293780
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
293780

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60287-96-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11NO

>  <Molecular Weight (nearest integer)>
209

$$$$
130872
  CML DOM 09261310112D

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M  END
>  <NSC>
130872

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23904-12-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12N2O

>  <Molecular Weight (nearest integer)>
236

$$$$
144958
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
144958

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2O3

>  <Molecular Weight (nearest integer)>
242

$$$$
153330
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
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   -4.7166   -5.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8185   -7.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3267   -7.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900   -5.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900   -3.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9910   -6.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919   -3.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6071   -3.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
153330

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19819-15-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N2OS

>  <Molecular Weight (nearest integer)>
220

$$$$
159632
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -9.0483   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7493   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5531   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4502   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7493   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1512   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8522   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1512   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7493   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4502   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5531   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4502   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2541   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 16  2  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  1  0  0  0
  5  9  1  0  0  0  0
  5 13  1  6  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <NSC>
159632

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53043-28-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12O5

>  <Molecular Weight (nearest integer)>
236

>  <dtpname:Chemical Name>
Austdiol

>  <dtpname:Chemical Name>
AUSTIDIOL

>  <dtpname:Chemical Name>
6H-2-Benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R-trans)-

$$$$
170001
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.6795    4.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8175    4.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1165    1.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156   -0.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8175    2.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5185    1.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457    2.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5185    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8175   -0.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166    0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9481    3.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
170001

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6O5

>  <Molecular Weight (nearest integer)>
206

$$$$
179818
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
179818

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1207-96-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8ClN

>  <Molecular Weight (nearest integer)>
214

$$$$
204976
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -9.4683   -1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5711   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 15  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
204976

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2O

>  <Molecular Weight (nearest integer)>
212

$$$$
240502
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.5138    4.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0503    2.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    4.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633    5.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    4.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497    2.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633    5.3074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633    7.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    6.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367    7.9054    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2836    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4404    1.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133    6.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
240502

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90153-48-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12ClNO3

>  <Molecular Weight (nearest integer)>
206

$$$$
284234
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.8505    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    4.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    2.9731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6495    5.5711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    8.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    6.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
284234

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71848-00-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11NO4

>  <Molecular Weight (nearest integer)>
245

$$$$
294154
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.9773    0.8529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2763   -1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3790   -3.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
>  <NSC>
294154

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62195-19-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6ClN3O2

>  <Molecular Weight (nearest integer)>
212

$$$$
131388
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
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   -5.4707   -4.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
131388

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33080-87-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H15N5O

>  <Molecular Weight (nearest integer)>
209

$$$$
144982
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.8820    7.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810    6.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7161    7.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5829    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
144982

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18O4

>  <Molecular Weight (nearest integer)>
226

$$$$
153365
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -6.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0245   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6154    1.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5535    5.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
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  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 14  1  6  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
153365

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52019-05-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H15N3O6

>  <Molecular Weight (nearest integer)>
249

>  <dtpname:Chemical Name>
Xylopyranoside, methyl 3-deoxy-3-(3-methyl-3-nitrosoureido), .beta.-D-

$$$$
163144
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.7472    3.0295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6373    1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 15  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
163144

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9N3O

>  <Molecular Weight (nearest integer)>
211

$$$$
170578
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
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   -2.4851   -4.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0831   -5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3914   -4.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1860   -1.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
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  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
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M  CHG  2  15   1  16  -1
M  END
>  <NSC>
170578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
68925-98-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H7NO3S

>  <Molecular Weight (nearest integer)>
245

>  <dtpname:Chemical Name>
3-Nitrodibenzothiophene-5-oxide

>  <dtpname:9th C.I.>
Dibenzothiophene, 3-nitro-, 5-oxide

$$$$
182400
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -9.2054   -1.8901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.2054   -4.8901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -4.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
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M  END
>  <NSC>
182400

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74840-07-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H2Cl2N4O2

>  <Molecular Weight (nearest integer)>
233

$$$$
205843
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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M  END
>  <NSC>
205843

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N2O2

>  <Molecular Weight (nearest integer)>
244

$$$$
255025
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.6893    2.9617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    1.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288    1.4845    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4288   -1.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1788   -2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6788   -2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <NSC>
255025

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O2S

>  <Molecular Weight (nearest integer)>
226

$$$$
288519
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
288519

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N4O2

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:Chemical Name>
4H-Pyrimido[1,2-a]-1,3,5-triazin-4-one, 2-phenoxy-

$$$$
294161
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.8928   -1.5946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3109   -4.2347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744   -0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744   -2.8081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010   -0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010   -2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5001   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5001   -3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.8446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -2.3446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3109    1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3972   -6.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0982   -7.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -6.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
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  9 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
294161

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63195-21-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N4

>  <Molecular Weight (nearest integer)>
238

$$$$
131986
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
131986

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15093-37-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N2S

>  <Molecular Weight (nearest integer)>
208

>  <dtpname:9th C.I.>
Thiourea, N-(1-methylpropyl)-N'-phenyl-

>  <dtpname:8th C.I.>
Urea, 1-sec-butyl-3-phenyl-2-thio-

$$$$
148170
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.3901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1682    6.0302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6317    4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6317    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718    7.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0583    2.6401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1682    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
148170

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21111-46-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7ClN4S

>  <Molecular Weight (nearest integer)>
227

$$$$
153399
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.0284    2.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9386    0.8471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0078   -0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -1.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3433    0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063    1.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6491    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2520    0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0986   -0.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0110    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    2.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
153399

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11NO2

>  <Molecular Weight (nearest integer)>
237

$$$$
164208
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.6218   -6.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5860   -5.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4271   -4.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9271   -4.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6771   -5.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
164208

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H20N2O

>  <Molecular Weight (nearest integer)>
220

$$$$
170621
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   -2.9731    2.1495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <NSC>
170621

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N2O2

>  <Molecular Weight (nearest integer)>
202

$$$$
190336
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.8211   -8.1495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
190336

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2371-32-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10BrN3O

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
Glycine, N-(3-bromophenyl)-, hydrazide

$$$$
210816
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.4192    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
210816

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25849-49-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9N3O3

>  <Molecular Weight (nearest integer)>
243

$$$$
261037
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.0349    0.1803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6164   -0.0231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587    1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4534    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252   -2.2947    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7936   -3.1509    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3826   -2.9332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7663   -0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9612    0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3440   -0.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734    1.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    2.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  2   6   1   7  -1
M  END
>  <NSC>
261037

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13551-87-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H11N3O4

>  <Molecular Weight (nearest integer)>
201

>  <dtpname:USAN>
Misonidazole

>  <dtpname:Chemical Name>
Ro 7-0582

>  <dtpname:Chemical Name>
RO 7-0582

>  <dtpname:Chemical Name>
MISONIDAZOLE

>  <dtpname:Chemical Name>
1-(2-Nitro-1-imidazolyl)-3-methoxy-2-propanol

>  <dtpname:Chemical Name>
1-(2-Hydroxy-3-methoxypropyl)-2-nitroimidazole

>  <dtpname:Chemical Name>
.alpha.-(Methoxymethyl)-2-nitroimidazole-1-ethanol

>  <dtpname:9th C.I.>
1H-Imidazole-1-ethanol, .alpha.-(methoxymethyl)-2-nitro-

>  <dtpname:8th C.I.>
Imidazole-1-ethanol, .alpha.-(methoxymethyl)-2-nitro-

$$$$
289090
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.2500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
289090

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70486-24-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12ClN3

>  <Molecular Weight (nearest integer)>
246

$$$$
294623
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.1899    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7045    7.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371    4.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    5.4488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470    6.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    5.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530    6.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1134    8.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5515    9.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750   11.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9604   10.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5223    9.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5988    8.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518    5.9889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    3.5180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    3.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
294623

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51883-88-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N4O

>  <Molecular Weight (nearest integer)>
242

$$$$
133195
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2942   -2.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942   -5.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
133195

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11N3O3S

>  <Molecular Weight (nearest integer)>
229

$$$$
149046
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
  -10.9169   -3.3965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7693   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1208   -1.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4178   -1.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0841   -3.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4545   -3.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0193   -4.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5193   -4.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7693    0.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0683    1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6217   -3.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6014   -2.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0435   -0.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1188   -1.5312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
149046

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10ClNO3

>  <Molecular Weight (nearest integer)>
228

$$$$
154295
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5672    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888    0.9668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1708    1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128   -0.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   -0.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5119   -1.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1100   -1.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1100   -3.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5119   -3.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   -3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425   -1.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388   -0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0590    2.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3470   -0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  3  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <NSC>
154295

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23598-54-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13NO3

>  <Molecular Weight (nearest integer)>
231

>  <dtpname:9th C.I.>
2-Oxazolidinone, 3-phenyl-5-[(2-propynyloxy)methyl]-

>  <dtpname:8th C.I.>
2-Oxazolidinone, 3-phenyl-5-[(2-propynyloxy)methyl]-

$$$$
164511
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
164511

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N2O

>  <Molecular Weight (nearest integer)>
206

$$$$
174027
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
174027

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H8O6

>  <Molecular Weight (nearest integer)>
212

$$$$
193043
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.7500    1.9906    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.9906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6838    0.9068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1756    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4472    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0573    1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5491    1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
193043

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14783-83-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9ClN4

>  <Molecular Weight (nearest integer)>
221

>  <dtpname:9th C.I.>
Pyrrolo[1,5-b:2,3-c']dipyridazine, 8-chloro-6,7-dihydro-3-methyl-

>  <dtpname:8th C.I.>
Pyrrolo[1,5-b:2,3-c']dipyridazine, 8-chloro-6,7-dihydro-3-methyl-

$$$$
215276
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
215276

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5394-59-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14O3

>  <Molecular Weight (nearest integer)>
206

>  <dtpname:Chemical Name>
4-(2,5-Xylyl)-4-oxobutanoic acid

>  <dtpname:Chemical Name>
.beta.-(2,5-Dimethylbenzoyl)propionic acid

>  <dtpname:9th C.I.>
Benzenebutanoic acid, 2,5-dimethyl-.gamma.-oxo-

>  <dtpname:8th C.I.>
Propionic acid, 3-(2,5-dimethylbenzoyl)-

$$$$
261610
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    5.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
261610

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57609-69-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18N2O

>  <Molecular Weight (nearest integer)>
218

>  <dtpname:Chemical Name>
2-Propenamide, 2-methyl-N-[4-[(1-methylethyl)amino1phenyl]-

$$$$
289365
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
289365

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8ClNO3

>  <Molecular Weight (nearest integer)>
250

$$$$
295404
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    5.6883    0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9019    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519   -0.9090    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1154    0.5176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5233    2.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
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M  END
>  <NSC>
295404

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51068-11-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2OS

>  <Molecular Weight (nearest integer)>
230

$$$$
133356
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
133356

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6926-49-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6N8

>  <Molecular Weight (nearest integer)>
214

$$$$
149286
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
149286

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3939-04-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12N2O

>  <Molecular Weight (nearest integer)>
236

>  <dtpname:Chemical Name>
1,4-Pentadien-3-one, 1,5-di-3-pyridyl-

$$$$
156616
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.9248   -0.4574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
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M  CHG  2  12   1  13  -1
M  END
>  <NSC>
156616

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H5N5O3S

>  <Molecular Weight (nearest integer)>
215

$$$$
164678
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  9  2  0  0  0  0
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  9 10  1  0  0  0  0
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 13 14  3  0  0  0  0
M  END
>  <NSC>
164678

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60138-29-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13N3O

>  <Molecular Weight (nearest integer)>
203

$$$$
175412
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
175412

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N4O2S

>  <Molecular Weight (nearest integer)>
238

$$$$
196148
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
196148

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54767-77-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H11N3O2S

>  <Molecular Weight (nearest integer)>
201

$$$$
220030
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    9.9168    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  3  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
220030

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52535-37-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H19NO

>  <Molecular Weight (nearest integer)>
217

$$$$
274905
  CML DOM 09261310112D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7673   -0.8504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  2  0  0  0  0
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 12 13  2  0  0  0  0
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 15 16  2  0  0  0  0
M  END
>  <NSC>
274905

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5000-31-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11N3

>  <Molecular Weight (nearest integer)>
221

$$$$
290307
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.1969    1.1488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362    0.1987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3886   -1.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685   -2.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6573    2.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686   -2.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1175    2.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5474    0.2307    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0078    1.6583    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5535   -0.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  1  0  0  0  0
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M  CHG  2  14   1  15  -1
M  END
>  <NSC>
290307

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61190-66-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N2O4

>  <Molecular Weight (nearest integer)>
210

$$$$
298197
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.4755    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2255    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9755    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5781   -0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7209   -1.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2255    8.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2255    3.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
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  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
298197

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2246-46-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7N3O2S

>  <Molecular Weight (nearest integer)>
221

$$$$
139257
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.4555   -0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508    2.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656    1.1074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637   -0.1062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4555   -0.2630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055   -1.5620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555   -2.8610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2055   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   -2.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2055   -4.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7055   -4.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
139257

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14901-16-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9N3S2

>  <Molecular Weight (nearest integer)>
235

>  <dtpname:Chemical Name>
U 14624

>  <dtpname:Chemical Name>
U-14,624

>  <dtpname:Chemical Name>
1-Phenyl-3-(2-thiazolyl)thiourea

>  <dtpname:9th C.I.>
Thiourea, N-phenyl-N'-2-thiazolyl-

>  <dtpname:8th C.I.>
Urea, 1-phenyl-3-(2-thiazolyl)-2-thio-

$$$$
150954
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.3236   -7.0245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
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  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
150954

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H17NS

>  <Molecular Weight (nearest integer)>
231

>  <dtpname:Chemical Name>
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-

$$$$
157767
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.5221    2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3750    5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6 13  1  0  0  0  0
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  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
157767

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9NO5

>  <Molecular Weight (nearest integer)>
211

$$$$
165883
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
165883

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
42414-19-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13NO2

>  <Molecular Weight (nearest integer)>
227

$$$$
175415
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.4131   -4.0711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4861   -6.9243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7324   -3.5013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7324   -2.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9824   -5.8096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4168   -5.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5189   -4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9459   -4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4824   -5.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8840   -4.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9570   -7.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0923   -3.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558   -2.4929    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287   -5.3461    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -3.4559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
175415

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7F3N4

>  <Molecular Weight (nearest integer)>
216

$$$$
197049
  CML DOM 09261310112D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.9112    0.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5703   -0.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7952   -1.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251   -0.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8304    2.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    0.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556    1.9787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649   -0.5688    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751   -1.9008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571    0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4257    1.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -2.7101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
197049

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3354-38-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H7NO2S3

>  <Molecular Weight (nearest integer)>
221

$$$$
227383
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    4.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6563    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2382    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9063    4.6892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    3.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6073    5.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6563    5.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <NSC>
227383

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69746-62-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9N3O2S

>  <Molecular Weight (nearest integer)>
211

$$$$
277806
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.9731   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 13  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
277806

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71848-07-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O3

>  <Molecular Weight (nearest integer)>
230

>  <dtpname:Chemical Name>
2(1H)-Pyridinone, 3-[[(phenylamino)carbonyl]oxy]-

$$$$
292826
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.5866   -7.3254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875   -8.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875   -9.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885   -7.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885  -10.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885  -11.8254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6894   -8.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6894   -9.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628  -10.0389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007  -11.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -8.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628   -7.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473   -6.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1106   -8.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -7.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390   -6.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4491   -4.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -4.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   -3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
292826

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
40594-09-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16F2N2

>  <Molecular Weight (nearest integer)>
250

>  <dtpname:Chemical Name>
Win 35150

>  <dtpname:Chemical Name>
Flucindole

>  <dtpname:Chemical Name>
3-(Dimethylamino)-6,8-difluoro-1,2,3,4-tetrahydrocarbazole

>  <dtpname:9th C.I.>
1H-Carbazol-3-amine, 6,8-difluoro-2,3,4,9-tetrahydro-N,N-dimethyl-

$$$$
298793
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0664    6.8991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794    5.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0566    5.2291    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5697    3.8195    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4980    6.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    7.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7971    5.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7971    8.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961    7.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961    6.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6152    4.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    2.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1641    1.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131    2.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262    3.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    4.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0208    6.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    4.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  CHG  2   3   1   4  -1
M  END
>  <NSC>
298793

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H19NO2

>  <Molecular Weight (nearest integer)>
233

$$$$
140892
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2745   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    7.7745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
140892

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6986-80-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2OS

>  <Molecular Weight (nearest integer)>
244

$$$$
152393
  CML DOM 09261310112D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -5.7665    1.1761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408    0.8896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773   -2.9640    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4674   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4674    0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665   -1.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0655   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0655    0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  5  2  0  0  0  0
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  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <NSC>
152393

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28988-21-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H4BrNS

>  <Molecular Weight (nearest integer)>
214

>  <dtpname:9th C.I.>
Thieno[2,3-b]pyridine, 3-bromo-

>  <dtpname:8th C.I.>
Thieno[2,3-b]pyridine, 3-bromo-

$$$$
157940
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
157940

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22O3

>  <Molecular Weight (nearest integer)>
250

$$$$
166547
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -4.2024    0.7604    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4076   -2.1324    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.6500   -0.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
166547

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58885-19-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6Cl2N4

>  <Molecular Weight (nearest integer)>
229

$$$$
176765
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
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  8  9  2  0  0  0  0
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 11 13  1  0  0  0  0
M  END
>  <NSC>
176765

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2103-44-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10Cl2N2

>  <Molecular Weight (nearest integer)>
217

$$$$
202883
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
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  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
202883

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13NO2

>  <Molecular Weight (nearest integer)>
203

$$$$
234945
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
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 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
234945

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1671-85-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9N5

>  <Molecular Weight (nearest integer)>
223

$$$$
279895
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
279895

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16O4

>  <Molecular Weight (nearest integer)>
236

$$$$
293334
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
293334

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67411-04-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O3

>  <Molecular Weight (nearest integer)>
210

$$$$
301168
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 15  1  0  0  0  0
  4 11  1  0  0  0  0
  4  7  2  0  0  0  0
  5 11  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
301168

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10344-45-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6ClN3S

>  <Molecular Weight (nearest integer)>
236

$$$$
309971
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.2500   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
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  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  2  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
309971

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N2O2S2

>  <Molecular Weight (nearest integer)>
242

$$$$
330497
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.2265    1.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4908    1.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0681    0.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1137   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164   -0.4436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0667   -1.5120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107   -1.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1878   -1.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3776   -0.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8609    0.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    1.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7757    2.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6863   -1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 14  1  0  0  0  0
  7  8  3  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
330497

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70-22-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N2O

>  <Molecular Weight (nearest integer)>
206

>  <dtpname:Chemical Name>
Oxotremorin

>  <dtpname:Chemical Name>
Oxytremorine

>  <dtpname:Chemical Name>
Oxotremorine

>  <dtpname:Chemical Name>
Tremorine, oxo-

>  <dtpname:Chemical Name>
2'-Oxopyrrolidino-1-pyrrolidino-4-butyne

>  <dtpname:Chemical Name>
1-[4-(1-Pyrrolidinyl)-2-butynyl]-2-pyrrolidinone

>  <dtpname:Chemical Name>
WLN: T5NVTJ A2UU2- AT5NTJ

>  <dtpname:9th C.I.>
2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-

>  <dtpname:8th C.I.>
2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-

$$$$
343783
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.2714   -4.3983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2714   -5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5704   -3.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5704   -6.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -4.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960   -3.9347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960   -6.3618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1777   -5.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6777   -5.1483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5704   -2.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -1.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5704    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4277   -3.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
343783

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73109-44-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N4S2

>  <Molecular Weight (nearest integer)>
238

$$$$
372221
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
372221

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74526-21-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N4O

>  <Molecular Weight (nearest integer)>
230

>  <dtpname:Chemical Name>
1,3,5-Triazin-2(1H)-one, 1-(2,6-dimethylphenyl)-4-(methylamino)-

$$$$
403374
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.1380    0.3851    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406   -1.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1218   -1.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946   -0.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2298    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6569    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7109    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -0.5638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    2.0340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    0.7705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7861   -0.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566   -1.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2859   -0.4930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <NSC>
403374

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7464-17-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9ClN4S

>  <Molecular Weight (nearest integer)>
229

$$$$
479
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.6207    2.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    1.9480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    3.3746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4072    5.3381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207    6.2198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    4.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    8.8016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1298    9.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0252    7.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8862   10.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6770    7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380    9.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4334    7.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    6.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    5.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    6.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    5.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989    4.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4072    3.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852    7.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  3  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  4  5  1  0  0  0  0
  6 20  2  0  0  0  0
  7 18  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
479

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5343-62-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13N3O2

>  <Molecular Weight (nearest integer)>
267

>  <dtpname:Chemical Name>
5-BENZYL-5-(3-PYRIDYL)HYDANTOIN

$$$$
6137
  CML DOM 09261310112D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -0.2227    1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1061   -0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957   -0.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7143    2.1916    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2464   -1.5635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2506   -1.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2976    0.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -2.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707    1.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116   -0.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <NSC>
6137

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6280-78-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7BrO5

>  <Molecular Weight (nearest integer)>
263

$$$$
7745
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.0490   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
7745

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5456-14-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16O6

>  <Molecular Weight (nearest integer)>
268

$$$$
10865
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.0818   -2.8750    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717   -1.5047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3562   -2.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0571   -3.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552   -3.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0571   -4.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552   -4.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3562   -5.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0818   -5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4553   -4.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0654   -5.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9635   -4.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1837   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6919   -6.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3808   -2.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
10865

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5687-22-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9AsO2

>  <Molecular Weight (nearest integer)>
260

>  <dtpname:Chemical Name>
Arsafluorinic acid

>  <dtpname:Chemical Name>
Dibenzarsenolic acid

>  <dtpname:Chemical Name>
9-Arsafluoreninic acid

>  <dtpname:Chemical Name>
5-HYDROXY-5H-DIBENZARSOLE, 5-OXIDE

>  <dtpname:Chemical Name>
Dibenzarsenole, 5-hydroxy-, 5-oxide

>  <dtpname:9th C.I.>
5H-Dibenzarsole, 5-hydroxy-, 5-oxide

>  <dtpname:8th C.I.>
5H-Dibenzarsole, 5-hydroxy-, 5-oxide

$$$$
11912
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -8.5443    9.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5443    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1  9  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
11912

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1612-64-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18N2

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
2-(4-Dimethylaminostyryl)quinoline

>  <dtpname:Chemical Name>
2-[p-(Dimethylamino)styryl]quinoline

>  <dtpname:Chemical Name>
2-[4'-N,N-Dimethylaminostyryl]quinoline

>  <dtpname:Chemical Name>
Quinoline, 2-[p-(dimethylamino)styryl]-

>  <dtpname:Chemical Name>
2-[p-(N,N-Dimethylaminostyryl)]quinoline

>  <dtpname:Chemical Name>
N,N-Dimethyl-4-[2-(2-quinolinyl)ethenyl]benzenamine

>  <dtpname:9th C.I.>
Benzenamine, N,N-dimethyl-4-[2-(2-quinolinyl)ethenyl]-

$$$$
311074
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.1524    1.0280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164   -0.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791   -0.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8268    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7374    1.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728    0.3697    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4538   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8768   -2.2955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9489   -1.0319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9255    0.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959   -2.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153   -3.2722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814   -2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    2.9630    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1511    3.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3384    4.0532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
311074

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91300-62-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H6N6O2S

>  <Molecular Weight (nearest integer)>
226

>  <dtpname:Chemical Name>
1H-1,2,4-Triazole, 3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-

>  <dtpname:Chemical Name>
1H-1,2,4-Triazole, 3-[(1-methyl-4-nitro-1H-imidazole-5-yl)thio]-

$$$$
332473
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.1771    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036    3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036    0.8355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9853    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7353    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7353    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2353    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2353    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9853    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4853    2.0490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9635    3.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0672    4.6891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <NSC>
332473

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H6ClN5

>  <Molecular Weight (nearest integer)>
220

$$$$
353451
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.6769    0.8954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2864   -0.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2285   -1.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4202    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888   -3.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530    0.7722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -1.7933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2282    1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    2.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387   -1.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740   -0.1551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447    2.6474    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7104   -1.4878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1905    1.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  2  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
353451

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
85622-95-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7ClN6O2

>  <Molecular Weight (nearest integer)>
243

>  <dtpname:Chemical Name>
AZOLASTONE

>  <dtpname:Chemical Name>
Azolastone

>  <dtpname:Chemical Name>
Mitozolomide

>  <dtpname:Chemical Name>
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-

$$$$
373427
  CML DOM 09261310112D

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M  CHG  2  12   1  13  -1
M  END
>  <NSC>
373427

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57824-29-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11N3O4S

>  <Molecular Weight (nearest integer)>
245

$$$$
503425
  CML DOM 09261310112D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -6.6073   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
503425

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51618-29-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H4ClNS2

>  <Molecular Weight (nearest integer)>
202

$$$$
1847
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <NSC>
1847

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2484-88-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O3S

>  <Molecular Weight (nearest integer)>
262

>  <dtpname:Chemical Name>
Azobenzene-4-sulfonic acid

>  <dtpname:Chemical Name>
p-(Phenylazo)benzenesulfonic acid

>  <dtpname:Chemical Name>
Benzenesulfonic acid, p-(phenylazo)-

>  <dtpname:9th C.I.>
Benzenesulfonic acid, 4-(phenylazo)-

$$$$
6145
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <NSC>
6145

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1159-86-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H14O2

>  <Molecular Weight (nearest integer)>
286

$$$$
7867
  CML DOM 09261310112D

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M  END
>  <NSC>
7867

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5413-95-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9Cl2N5

>  <Molecular Weight (nearest integer)>
294

$$$$
11023
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
11023

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3299-62-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H16N2O2

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:Chemical Name>
o-Oxalotoluidide

$$$$
12028
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -0.2745   -1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1716   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
12028

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H22N2O2

>  <Molecular Weight (nearest integer)>
286

$$$$
311727
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.8735    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3407    3.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7965    1.0225    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0955    3.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0956    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    4.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    1.0225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6936    3.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6936    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317    2.1203    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3338    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0216    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  2  0  0  0  0
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 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
311727

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
75464-90-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H4N4O2S2

>  <Molecular Weight (nearest integer)>
240

$$$$
335048
  CML DOM 09261310112D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -2.0248    6.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248    4.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5732    6.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9998    4.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    2.7168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998    6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815    5.3569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733    5.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9834    6.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1017    8.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4136    9.5648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145   10.3148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326    9.6229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
335048

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66799-57-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9N3O2

>  <Molecular Weight (nearest integer)>
239

$$$$
357683
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.4408   -8.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -8.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4041  -10.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6985   -7.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -5.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985   -6.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -4.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985   -3.3467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 11 13  1  0  0  0  0
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  6 10  1  0  0  0  0
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 12 13  1  0  0  0  0
  1 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <NSC>
357683

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79127-35-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9NO5

>  <Molecular Weight (nearest integer)>
223

>  <dtpname:Chemical Name>
XK 213

>  <dtpname:Chemical Name>
ECHINOSPORIN

>  <dtpname:Chemical Name>
1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1.alpha.,4a.beta.,5.beta.,7a.beta.)-(-)-

>  <dtpname:Chemical Name>
1,5-(epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1.alpha.,4a.beta.,5.beta.,7a.beta.)-, (-)-

$$$$
373535
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -7.0245    2.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5245   -2.8726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.0245    2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
373535

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91393-02-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N2O3

>  <Molecular Weight (nearest integer)>
232

$$$$
509563
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2745   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8726    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6226    7.7745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
509563

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66695-94-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N3S

>  <Molecular Weight (nearest integer)>
243

$$$$
3076
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    3.3481   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
3076

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N5

>  <Molecular Weight (nearest integer)>
265

$$$$
6731
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <NSC>
6731

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14041-81-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H18O2

>  <Molecular Weight (nearest integer)>
254

$$$$
7962
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
7962

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74525-53-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20O3

>  <Molecular Weight (nearest integer)>
284

$$$$
11275
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
11275

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2099-74-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N4O3

>  <Molecular Weight (nearest integer)>
266

$$$$
12488
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
12488

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81099-86-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11ClN2O

>  <Molecular Weight (nearest integer)>
271

$$$$
319034
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
319034

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H23N3S

>  <Molecular Weight (nearest integer)>
229

$$$$
338106
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
338106

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N6O

>  <Molecular Weight (nearest integer)>
240

$$$$
366807
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
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    8.3936    4.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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 14 15  2  0  0  0  0
M  END
>  <NSC>
366807

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9N3S2

>  <Molecular Weight (nearest integer)>
223

$$$$
375392
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  8  1  0  0  0  0
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M  END
>  <NSC>
375392

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7118-55-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2

>  <Molecular Weight (nearest integer)>
210

$$$$
515893
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4  8  1  0  0  0  0
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 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
515893

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4833-50-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H22N2S

>  <Molecular Weight (nearest integer)>
238

$$$$
3193
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.3187    9.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    4.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4216    4.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1226    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6178    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3187    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    2.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207    5.3236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9707    6.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    6.0736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <NSC>
3193

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5391-72-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N2O3S

>  <Molecular Weight (nearest integer)>
270

$$$$
6821
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  2 11  1  0  0  0  0
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  4  7  2  0  0  0  0
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 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
6821

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5416-45-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H15NO2

>  <Molecular Weight (nearest integer)>
289

>  <dtpname:8th C.I.>
Carbamic acid, diphenyl-, phenyl ester

$$$$
8816
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4554    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7054    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4554    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
8816

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1818-66-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N4O3

>  <Molecular Weight (nearest integer)>
252

>  <dtpname:9th C.I.>
1H-Purine-2,6(3H,7H)-dione, 1,3,7-trimethyl-8-propoxy-

$$$$
11276
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4554    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <NSC>
11276

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N4O3

>  <Molecular Weight (nearest integer)>
266

$$$$
12633
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    4.2721   -5.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5711    0.8505    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
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    5.5711   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <NSC>
12633

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5410-45-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10AsNO5

>  <Molecular Weight (nearest integer)>
275

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-12633

$$$$
321506
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    4.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    5.9462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401    5.9882    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
321506

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17452-22-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H6Cl2N2S

>  <Molecular Weight (nearest integer)>
245

$$$$
341074
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.9050    0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3441   -0.5305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052    0.9295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174   -0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156   -1.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5169   -0.9280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7798   -0.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4201    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9198    0.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    1.7043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087    1.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110    2.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5445    2.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900   -2.8910    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7783   -3.6187    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3760   -3.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377    4.0640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
341074

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H7N7O2S

>  <Molecular Weight (nearest integer)>
241

$$$$
367428
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856    6.9341    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    3.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3498    5.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3140    6.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010    7.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
367428

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65905-96-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H9FN2O5

>  <Molecular Weight (nearest integer)>
220

>  <dtpname:Chemical Name>
5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy- 2,6-dioxo-, methyl ester

$$$$
375997
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.0217    3.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4852    2.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0254    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525    1.7479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4926    4.2892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4562    2.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    5.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9197    4.2892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455    3.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    6.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    6.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3463    4.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6581    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0847    6.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1994    5.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8876    4.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    3.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
375997

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N5O

>  <Molecular Weight (nearest integer)>
241

$$$$
601351
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.2134    2.1126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    1.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9631    3.0218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9273    4.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181    3.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6616    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2596    1.8985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7596    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0096    3.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    3.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0587    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0096    4.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961    0.3590    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1196   -0.8231    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2893    0.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  6  0  0  0
 11 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
601351

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H16N4O3

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:Chemical Name>
RSU 1165

>  <dtpname:Chemical Name>
RSU 1065A

>  <dtpname:Chemical Name>
1H-Imidazole-1-ethanol, .alpha.-[(2,3-dimethyl-1-aziridinyl)methyl]-2-nitro-, trans-

>  <dtpname:9th C.I.>
1H-Imidazole-1-ethanol, .alpha.-[[(2R,3R)-2,3-dimethyl-1-aziridinyl]methyl]-2-nitro-, rel-

$$$$
3247
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.1005    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -5.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    0.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7721    0.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
3247

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
97-44-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10AsNO5

>  <Molecular Weight (nearest integer)>
275

>  <dtpname:Chemical Name>
SVC

>  <dtpname:Chemical Name>
Goyl

>  <dtpname:Chemical Name>
Mexyl

>  <dtpname:Chemical Name>
190 F

>  <dtpname:Chemical Name>
F 190

>  <dtpname:Chemical Name>
S.V.C.

>  <dtpname:Chemical Name>
Amoebal

>  <dtpname:Chemical Name>
Osarsol

>  <dtpname:Chemical Name>
Oralcid

>  <dtpname:Chemical Name>
Orarsan

>  <dtpname:Chemical Name>
Osarsal

>  <dtpname:Chemical Name>
Paroxyl

>  <dtpname:Chemical Name>
Amarsan

>  <dtpname:Chemical Name>
Devegan

>  <dtpname:Chemical Name>
Nilacid

>  <dtpname:Chemical Name>
Monargan

>  <dtpname:Chemical Name>
Osvarson

>  <dtpname:Chemical Name>
Dynarsan

>  <dtpname:Chemical Name>
Osvarsan

>  <dtpname:Chemical Name>
Arsaphen

>  <dtpname:Chemical Name>
Osarsole

>  <dtpname:Chemical Name>
Ginarsol

>  <dtpname:Chemical Name>
Vagoflor

>  <dtpname:Chemical Name>
Gynoplix

>  <dtpname:Chemical Name>
Vagisept

>  <dtpname:Chemical Name>
Kubarsol

>  <dtpname:Chemical Name>
Limarsol

>  <dtpname:Chemical Name>
Spirocid

>  <dtpname:Chemical Name>
Spirozid

>  <dtpname:Chemical Name>
Arsonine

>  <dtpname:Chemical Name>
Pallicid

>  <dtpname:Chemical Name>
Stovarsol

>  <dtpname:Chemical Name>
Acetarsol

>  <dtpname:Chemical Name>
Kharophen

>  <dtpname:Chemical Name>
Malagride

>  <dtpname:Chemical Name>
Stovarsal

>  <dtpname:Chemical Name>
Acetarsone

>  <dtpname:Chemical Name>
Ehrlich 594

>  <dtpname:Chemical Name>
Disparicida

>  <dtpname:Chemical Name>
Chrlich 594

>  <dtpname:Chemical Name>
Stovarsolan

>  <dtpname:Chemical Name>
Fourneau 190

>  <dtpname:Chemical Name>
Acetphenarsine

>  <dtpname:Chemical Name>
N-Acetyl-4-hydroxy-m-arsanilic acid

>  <dtpname:Chemical Name>
3-Acetamido-4-hydroxyphenylarsonic acid

>  <dtpname:Chemical Name>
3-Acetamido-4-hydroxybenzenearsonic acid

>  <dtpname:Chemical Name>
3-Acetylamino-4-hydroxyphenylarsonic acid

>  <dtpname:Chemical Name>
[3-(Acetylamino)-4-hydroxyphenyl]arsonic acid

>  <dtpname:Chemical Name>
[3-(ACETYLAMINO)-4-HYDROXYPHENYL]ARSONIC ACID

>  <dtpname:Chemical Name>
WLN: Q-AS-QO&R DQ CMV1

>  <dtpname:Chemical Name>
WLN: Q-AS-QO & R DQ CMV1

>  <dtpname:9th C.I.>
Arsonic acid, [3-(acetylamino)-4-hydroxyphenyl]-

>  <dtpname:8th C.I.>
m-Arsanilic acid, N-acetyl-4-hydroxy-

$$$$
6844
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.7697   -4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7697  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
6844

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
602-98-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12O4

>  <Molecular Weight (nearest integer)>
292

$$$$
9782
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.2853   -8.3724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451   -5.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3322   -7.5133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -2.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -3.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856   -4.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -4.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -4.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123   -5.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2221   -6.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7221   -6.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7488   -6.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816   -7.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525   -8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2197   -7.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2234   -8.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819   -8.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890   -9.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599  -10.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8217   -9.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2927  -10.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7636  -11.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6832   -6.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0533   -3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 13  2  1  1  0  0  0
 11  3  1  6  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
9782

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3129-08-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H22O2

>  <Molecular Weight (nearest integer)>
282

>  <dtpname:9th C.I.>
Estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy-1-methyl-

>  <dtpname:8th C.I.>
Estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy-1-methyl-

$$$$
11296
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992    5.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992    3.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809    7.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4309    6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4309    8.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9309    8.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9309    6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6809    7.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1809    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7627    7.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 21  1  0  0  0  0
  6 17  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
11296

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6279-37-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N4O3

>  <Molecular Weight (nearest integer)>
286

$$$$
647136
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
647136

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O

>  <Molecular Weight (nearest integer)>
238

$$$$
327693
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
  -11.8210    3.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6642    1.8540    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9948    1.9939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2939    1.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9820   -0.2233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4902   -0.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8801    0.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2402   -1.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4902   -0.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402   -1.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9902   -0.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4902   -2.9782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
327693

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H8N6O2S2

>  <Molecular Weight (nearest integer)>
248

$$$$
343230
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.5490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <NSC>
343230

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14631-68-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H22N4O

>  <Molecular Weight (nearest integer)>
226

$$$$
367487
  CML DOM 09261310112D

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 13 15  3  0  0  0  0
M  END
>  <NSC>
367487

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7N3OS

>  <Molecular Weight (nearest integer)>
205

$$$$
379639
  CML DOM 09261310112D

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 16 17  3  0  0  0  0
M  END
>  <NSC>
379639

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H5ClN6

>  <Molecular Weight (nearest integer)>
245

$$$$
646976
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.2967    5.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0023    4.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <NSC>
646976

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11NO4

>  <Molecular Weight (nearest integer)>
233

$$$$
4429
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  7  8  2  0  0  0  0
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  8  9  1  0  0  0  0
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 17 18  2  0  0  0  0
M  END
>  <NSC>
4429

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5118-79-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N10

>  <Molecular Weight (nearest integer)>
296

>  <dtpname:Chemical Name>
6,6'-benzene-1,2-diylbis(1,3,5-triazine-2,4-diamine)

$$$$
7218
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
7218

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15724-70-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15N3O2

>  <Molecular Weight (nearest integer)>
293

>  <dtpname:Chemical Name>
3,6-Diacetamidoacridine

>  <dtpname:Chemical Name>
3,6-Bis(acetylamino)acridine

>  <dtpname:Chemical Name>
3,6-Bis-monoacetaminoacridine

>  <dtpname:9th C.I.>
Acetamide, N,N'-3,6-acridinediylbis-

>  <dtpname:8th C.I.>
Acetamide, N,N'-3,6-acridinediylbis-

$$$$
10173
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
M  END
>  <NSC>
10173

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18O5

>  <Molecular Weight (nearest integer)>
278

$$$$
11624
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    4.2788    3.8059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3972    2.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788    1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7054    1.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2953    1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0422   -1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6523    0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9239   -2.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4157   -2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0258   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8153    5.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
11624

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9ClN4S

>  <Molecular Weight (nearest integer)>
277

$$$$
154587
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.1318    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8328   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4062    0.9390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4062   -1.4880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4309    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8328    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7299    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0289    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8328   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
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  3  9  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <NSC>
154587

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33360-36-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H17N5

>  <Molecular Weight (nearest integer)>
219

$$$$
329284
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.3296    0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    2.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113   -0.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9369    3.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9369    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2359    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5350   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8340    0.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -2.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8340   -2.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
329284

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
16135-22-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N2O3S

>  <Molecular Weight (nearest integer)>
212

$$$$
343343
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.3073   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1915   -2.5288    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600    0.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -1.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7495    0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864   -1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1346    2.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    1.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0503    1.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2340    0.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
343343

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6ClNOS

>  <Molecular Weight (nearest integer)>
224

$$$$
370367
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.7990    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
    2.6401    4.6891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0583    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8083    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
370367

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51581-47-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7ClN2S

>  <Molecular Weight (nearest integer)>
211

$$$$
382059
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    1.4574    1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390    2.2378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390   -0.1893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7656    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0647   -0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0647    2.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3765   -1.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637    0.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8683   -2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9457   -0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <NSC>
382059

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79123-76-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N2OS

>  <Molecular Weight (nearest integer)>
220

$$$$
659107
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -0.4243    1.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8475   -3.8352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
659107

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2OS

>  <Molecular Weight (nearest integer)>
244

$$$$
5426
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 15  1  0  0  0  0
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 13 17  1  0  0  0  0
M  END
>  <NSC>
5426

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5407-46-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10O5

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:Chemical Name>
2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one

$$$$
7420
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -7.5197    3.4755    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.1178   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
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M  END
>  <NSC>
7420

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6284-50-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16BrNO2

>  <Molecular Weight (nearest integer)>
298

$$$$
10211
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.2586   -7.1699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5576   -2.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -2.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4259   -8.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623  -10.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -9.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0086   -9.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0123  -10.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3395   -4.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6385   -3.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
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 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
10211

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6286-88-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H13NO2

>  <Molecular Weight (nearest integer)>
287

$$$$
11643
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.5372    2.1543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9106    1.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6390    3.6814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    5.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4391    4.5882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0289    2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1308    3.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    2.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4024    1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4391    3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7759    0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6575   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3860    1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8777    1.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1493   -0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
11643

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14ClN5

>  <Molecular Weight (nearest integer)>
288

$$$$
306752
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4144    3.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5163    2.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245    2.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -2.8726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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  4  6  1  0  0  0  0
  5 16  1  0  0  0  0
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  6 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 12 16  1  0  0  0  0
M  END
>  <NSC>
306752

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35224-67-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H8ClN5O

>  <Molecular Weight (nearest integer)>
238

$$$$
329676
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.6662    4.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7809    5.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2763    3.5933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7681    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0800    5.2173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5263   -0.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2763    0.9952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0263   -0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1990    5.2754    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.7355    6.7020    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.1953    4.1607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5263    2.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2763    0.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7718    2.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2763   -1.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  2   9   1  10  -1
M  END
>  <NSC>
329676

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31478-45-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H10N4O4

>  <Molecular Weight (nearest integer)>
214

>  <dtpname:USAN>
Bamnidazole

>  <dtpname:Chemical Name>
R.P. 20 578

>  <dtpname:Chemical Name>
2-Methyl-5-nitroimidazole-1-ethanol carbamate ester

>  <dtpname:Chemical Name>
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, carbamate ester

>  <dtpname:9th C.I.>
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, carbamate (ester)

>  <dtpname:8th C.I.>
Imidazole-1-ethanol, 2-methyl-5-nitro-, carbamate (ester)

$$$$
343344
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    2.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  2  0  0  0  0
M  END
>  <NSC>
343344

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8N2OS

>  <Molecular Weight (nearest integer)>
204

$$$$
372134
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    0.7500    5.9462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
372134

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15ClN2O2

>  <Molecular Weight (nearest integer)>
243

$$$$
402843
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.5791    6.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5184    7.8870    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.9066    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0184    7.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
402843

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7477-96-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9AsO4

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-402843

$$$$
660300
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.3481   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    1.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.6471    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0491    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
>  <NSC>
660300

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11N3O4

>  <Molecular Weight (nearest integer)>
249

$$$$
5564
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.3273   -7.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1284   -8.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216  -10.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3880  -10.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -9.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784  -10.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -5.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2719   -7.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850   -6.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722   -6.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110   -5.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -4.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5498   -3.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629   -2.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9501   -2.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206  -10.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3880   -9.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -8.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  1  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  1  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
5564

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7148-14-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H21NO3

>  <Molecular Weight (nearest integer)>
275

$$$$
7572
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.5736    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    4.0245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755    5.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <NSC>
7572

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91-31-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N2O3S

>  <Molecular Weight (nearest integer)>
278

>  <dtpname:Chemical Name>
5-Amino-2-p-toluidinobenzenesulfonic acid

>  <dtpname:9th C.I.>
Benzenesulfonic acid, 5-amino-2-[(4-methylphenyl)amino]-

>  <dtpname:8th C.I.>
Benzenesulfonic acid, 5-amino-2-p-toluidino-

$$$$
10768
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -5.1590   -3.9648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1590   -2.4648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9454   -4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4090   -6.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9090   -6.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3725   -4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7991   -4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9138   -5.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1641   -8.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6559   -8.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2824   -7.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7906   -7.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1805   -8.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5273   -7.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189   -4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -5.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070   -2.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804   -2.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
10768

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5422-89-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17NO5

>  <Molecular Weight (nearest integer)>
255

>  <dtpname:9th C.I.>
1H-Pyrrole-2,4-dicarboxylic acid, 5-(hydroxymethyl)-3-methyl-, diethyl ester

$$$$
11664
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.6561   -8.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -5.8401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579   -4.4698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1845   -4.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3674   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3637   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8346   -0.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981   -1.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272   -2.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944   -3.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744   -7.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8763   -5.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579   -6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1845   -6.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1478   -8.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826   -7.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6725   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0295   -9.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194  -10.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491  -10.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8093  -12.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7897  -11.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
11664

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H21N5

>  <Molecular Weight (nearest integer)>
295

$$$$
403379
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
403379

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9N5O

>  <Molecular Weight (nearest integer)>
203

$$$$
12644
  CML DOM 09261310112D

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M  END
>  <NSC>
12644

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5425-65-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12AsNO5

>  <Molecular Weight (nearest integer)>
289

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-12644

$$$$
13785
  CML DOM 09261310112D

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M  END
>  <NSC>
13785

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5430-38-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10AsNO3

>  <Molecular Weight (nearest integer)>
267

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-13785

$$$$
15784
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <NSC>
15784

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5464-25-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12ClN

>  <Molecular Weight (nearest integer)>
266

$$$$
19824
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
19824

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5443-60-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17NO

>  <Molecular Weight (nearest integer)>
275

>  <dtpname:Chemical Name>
5,5-Dimethyl-6H-benzo[c]acridin-6-ol

$$$$
21710
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
21710

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5436-39-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19N5O2

>  <Molecular Weight (nearest integer)>
277

$$$$
29073
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <NSC>
29073

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6937-98-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H24N2O2

>  <Molecular Weight (nearest integer)>
276

$$$$
33173
  CML DOM 09261310112D

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M  END
>  <NSC>
33173

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5408-25-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H9ClN2O

>  <Molecular Weight (nearest integer)>
269

$$$$
37612
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
37612

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6940-31-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19NO2

>  <Molecular Weight (nearest integer)>
269

>  <dtpname:Chemical Name>
N-cyclohexyl-3-hydroxy-2-naphthamide

$$$$
40749
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
40749

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6338-49-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N6

>  <Molecular Weight (nearest integer)>
290

$$$$
43308
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
43308

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12N2O2

>  <Molecular Weight (nearest integer)>
288

$$$$
12646
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
12646

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5410-55-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10AsNO3

>  <Molecular Weight (nearest integer)>
267

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-12646

$$$$
13800
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
13800

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5430-46-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10N2O4S

>  <Molecular Weight (nearest integer)>
254

$$$$
17055
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
17055

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6296-55-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12O4

>  <Molecular Weight (nearest integer)>
280

$$$$
19962
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
19962

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1755-52-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H22O3

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
U 2911

>  <dtpname:Chemical Name>
NSC19962

>  <dtpname:Chemical Name>
NSC 19962

>  <dtpname:Chemical Name>
Carbestrol

>  <dtpname:Chemical Name>
3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid

>  <dtpname:Chemical Name>
WLN: L6UTJ AR DO1& B2 C1 DVQ

>  <dtpname:9th C.I.>
3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-

>  <dtpname:8th C.I.>
3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(p-methoxyphenyl)-2-methyl-

$$$$
22801
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -9.1809    4.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1388    1.9391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8210   -0.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9426    1.9391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2956    3.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7628    3.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5128    5.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0128    5.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5128    2.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7628    3.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0128    2.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5091    1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9426   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8398    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5407    1.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0455   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  2  0  0  0  0
  4 17  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
22801

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17624-24-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N2O2

>  <Molecular Weight (nearest integer)>
280

$$$$
30813
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -3.3206    1.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4509    0.0935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    1.9257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700   -0.4922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    1.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882    4.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367   -0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    4.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424   -0.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    3.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081    0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    0.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7322   -1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2976   -2.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402   -3.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911   -4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565   -4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3 15  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
30813

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6321-57-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12N4

>  <Molecular Weight (nearest integer)>
272

$$$$
34875
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  8  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 11  1  0  0  0  0
  7 16  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <NSC>
34875

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
480-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12O5

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:Chemical Name>
NARIGENIN

>  <dtpname:Chemical Name>
Salipurol

>  <dtpname:Chemical Name>
Salipurpol

>  <dtpname:Chemical Name>
Naringenin

>  <dtpname:Chemical Name>
Naringetol

>  <dtpname:Chemical Name>
Naringenine

>  <dtpname:Chemical Name>
(-)-Naringenin

>  <dtpname:Chemical Name>
4',5,7-Trihydroxyflavanone

>  <dtpname:Chemical Name>
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-

>  <dtpname:9th C.I.>
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)-

>  <dtpname:8th C.I.>
Flavanone, 4',5,7-trihydroxy-

$$$$
37955
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
37955

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7192-71-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H23NO2

>  <Molecular Weight (nearest integer)>
261

$$$$
41066
  CML DOM 09261310112D

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M  CHG  2  13   1  14  -1
M  END
>  <NSC>
41066

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6307-12-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N2O5

>  <Molecular Weight (nearest integer)>
286

$$$$
43344
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
43344

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7249-42-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13O4P

>  <Molecular Weight (nearest integer)>
300

$$$$
13151
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
13151

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5424-02-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11ClO2

>  <Molecular Weight (nearest integer)>
259

$$$$
14311
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
14311

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
961-48-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17N5O2

>  <Molecular Weight (nearest integer)>
263

$$$$
17148
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
17148

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1083-36-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8ClN3O4S2

>  <Molecular Weight (nearest integer)>
286

$$$$
20618
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
20618

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5440-93-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N4S

>  <Molecular Weight (nearest integer)>
258

$$$$
22806
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    9.3678    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6669   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
22806

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22N2O2

>  <Molecular Weight (nearest integer)>
262

$$$$
30930
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -1.3913   -2.3705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2768   -3.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
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  9 10  2  0  0  0  0
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 12 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
30930

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6640-09-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13NO3

>  <Molecular Weight (nearest integer)>
267

$$$$
34879
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.3213    5.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6204    4.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223    4.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6204    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704   -0.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1204    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4194    1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4194    2.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7185    3.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0175    2.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7185    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0175    1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  16   1  17  -1
M  END
>  <NSC>
34879

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6277-65-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13NO3

>  <Molecular Weight (nearest integer)>
267

$$$$
38007
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -2.3235   -2.5245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <NSC>
38007

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6337-51-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10ClNO

>  <Molecular Weight (nearest integer)>
256

$$$$
41376
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.1716   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226   -2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
41376

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7150-95-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11AsO3

>  <Molecular Weight (nearest integer)>
278

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-41376

$$$$
43409
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
43409

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N4O2S

>  <Molecular Weight (nearest integer)>
266

$$$$
13248
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 15 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
13248

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5423-76-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20ClN3

>  <Molecular Weight (nearest integer)>
290

$$$$
14380
  CML DOM 09261310112D

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M  END
>  <NSC>
14380

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5438-76-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N4O3

>  <Molecular Weight (nearest integer)>
266

$$$$
17362
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
17362

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6362-70-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14O3

>  <Molecular Weight (nearest integer)>
266

$$$$
20619
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
20619

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6949-01-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N4S

>  <Molecular Weight (nearest integer)>
258

$$$$
22881
  CML DOM 09261310112D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
22881

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18O2

>  <Molecular Weight (nearest integer)>
266

$$$$
31069
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
31069

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6319-56-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19NO3

>  <Molecular Weight (nearest integer)>
297

$$$$
34910
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
34910

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
485-34-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17NO2

>  <Molecular Weight (nearest integer)>
291

>  <dtpname:Chemical Name>
Neophan

>  <dtpname:Chemical Name>
Tolysin

>  <dtpname:Chemical Name>
Novatophan

>  <dtpname:Chemical Name>
Neoatophan

>  <dtpname:Chemical Name>
Neoquinophan

>  <dtpname:Chemical Name>
Neomagnephen

>  <dtpname:Chemical Name>
Neocincophen

>  <dtpname:Chemical Name>
Neocinchophen

>  <dtpname:Chemical Name>
Neu-Nylofanol

>  <dtpname:Chemical Name>
Novo-rheumatophin

>  <dtpname:Chemical Name>
6-Methylcinchophen, ethyl ester

>  <dtpname:Chemical Name>
Ethyl 2-phenyl-6-methylcinchoninate

>  <dtpname:Chemical Name>
Ethyl 6-methyl-2-phenylcinchoninate

>  <dtpname:Chemical Name>
Ethyl 6-methyl-2-phenyl-4-quinolinecarboxylate

>  <dtpname:Chemical Name>
6-Methyl-2-phenylquinoline-4-carboxylic acid, ethyl ester

>  <dtpname:9th C.I.>
4-Quinolinecarboxylic acid, 6-methyl-2-phenyl-, ethyl ester

>  <dtpname:8th C.I.>
Cinchoninic acid, 6-methyl-2-phenyl-, ethyl ester

$$$$
38352
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2452   -5.9892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -7.4892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9461   -3.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500   -8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -10.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1471   -5.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471   -7.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
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 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <NSC>
38352

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
16162-97-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25NO

>  <Molecular Weight (nearest integer)>
295

$$$$
41378
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1226    6.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 15  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
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 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
41378

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7150-96-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12AsNO2

>  <Molecular Weight (nearest integer)>
277

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-41378

$$$$
44556
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
  -14.0149    2.7255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -1.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    0.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    0.4755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  2  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4  5  1  0  0  0  0
  6 13  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
44556

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6299-23-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8Cl2N2OS

>  <Molecular Weight (nearest integer)>
287

$$$$
13345
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
13345

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5429-02-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10N2O4S

>  <Molecular Weight (nearest integer)>
254

$$$$
14396
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0200    3.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821    5.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780    3.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842    7.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3074    5.9822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040    3.5551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821    6.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8801    5.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8781    4.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6909    7.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4427    8.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9427    8.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9391    6.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6909    7.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1874    4.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800    4.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6874    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
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  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  6 16  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <NSC>
14396

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5426-88-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N4O2

>  <Molecular Weight (nearest integer)>
284

>  <dtpname:9th C.I.>
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(phenylmethyl)-

$$$$
17507
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -5.1590   -3.9648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9454   -4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9090   -6.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3725   -4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7991   -4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1641   -8.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6559   -8.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2824   -7.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7906   -7.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1805   -8.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1590   -2.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5273   -7.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189   -4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -5.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7804   -2.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
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  4 10  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
17507

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5462-32-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19NO4

>  <Molecular Weight (nearest integer)>
253

$$$$
21333
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.7391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243    4.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    2.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601    6.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6732    8.0582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6276    1.8991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5299    7.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    6.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
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 11 16  1  0  0  0  0
 14 15  3  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
21333

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5441-45-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20N2O2

>  <Molecular Weight (nearest integer)>
260

$$$$
25678
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
25678

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5466-33-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15NO2

>  <Molecular Weight (nearest integer)>
277

$$$$
31698
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7275   -2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285   -3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0266   -8.0258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <NSC>
31698

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6318-80-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15NO2

>  <Molecular Weight (nearest integer)>
265

$$$$
36586
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 16 19  1  0  0  0  0
M  END
>  <NSC>
36586

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
446-72-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10O5

>  <Molecular Weight (nearest integer)>
270

>  <dtpname:Chemical Name>
Prunetol

>  <dtpname:Chemical Name>
GENISTEIN

>  <dtpname:Chemical Name>
Genistein

>  <dtpname:Chemical Name>
GENISTEIN

>  <dtpname:Chemical Name>
Genisteol

>  <dtpname:Chemical Name>
Sophoricol

>  <dtpname:Chemical Name>
C.I. 75610

>  <dtpname:Chemical Name>
Genisterin

>  <dtpname:Chemical Name>
4',5,7-Trihydroxyisoflavone

>  <dtpname:9th C.I.>
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-

>  <dtpname:8th C.I.>
Isoflavone, 4',5,7-trihydroxy-

$$$$
39047
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2721   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
39047

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6336-34-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O3

>  <Molecular Weight (nearest integer)>
256

$$$$
41649
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  4  6  2  0  0  0  0
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  7  8  2  0  0  0  0
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  8 11  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
41649

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6309-91-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H18ClN

>  <Molecular Weight (nearest integer)>
260

$$$$
45086
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.9873    4.8967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7688    7.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 19  1  0  0  0  0
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 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
45086

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N3O4

>  <Molecular Weight (nearest integer)>
261

$$$$
13434
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1561    1.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433    3.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1644   -0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
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 12 13  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
13434

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5450-16-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15NO6

>  <Molecular Weight (nearest integer)>
269

$$$$
14398
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <NSC>
14398

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5426-89-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17N5O2

>  <Molecular Weight (nearest integer)>
299

$$$$
19125
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.0245   -0.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.8117    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  9  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
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  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
19125

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5444-59-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10ClN5O

>  <Molecular Weight (nearest integer)>
276

$$$$
21603
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  6  0  0  0
 13  3  1  1  0  0  0
 11  4  1  6  0  0  0
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 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <NSC>
21603

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H34O

>  <Molecular Weight (nearest integer)>
290

$$$$
25740
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
25740

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27640-80-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N4O4S

>  <Molecular Weight (nearest integer)>
298

>  <dtpname:Chemical Name>
SRI 915

>  <dtpname:9th C.I.>
9H-Purine, 2-(methylthio)-9-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
9H-Purine, 2-(methylthio)-9-.beta.-D-ribofuranosyl-

$$$$
31703
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    2.0491  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -15.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1471  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4461  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480  -13.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4461  -13.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1471  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3432  -14.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6423  -13.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9413  -14.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0442  -13.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0442  -12.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7452  -14.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -13.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
31703

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6324-80-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H17NO3

>  <Molecular Weight (nearest integer)>
295

$$$$
36753
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.5442    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
36753

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O4

>  <Molecular Weight (nearest integer)>
274

$$$$
39938
  CML DOM 09261310112D

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.6517    3.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    9.5590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    9.9472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9965    8.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    7.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4454    8.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    8.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4263    6.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226    7.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832    6.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    6.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    6.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    5.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6950    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    5.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634    5.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2461    4.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    3.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186    1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5910    2.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
39938

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6337-05-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H7NO3S

>  <Molecular Weight (nearest integer)>
281

$$$$
41805
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.0490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7990   -1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7990   -1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0490   -3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5490   -3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990   -1.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2990   -1.8481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2990   -0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2990   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2990   -1.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  8  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5 18  1  0  0  0  0
  5 10  1  0  0  0  0
  6 15  2  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7 15  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <NSC>
41805

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59-40-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N4O2S

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:Chemical Name>
SQX

>  <dtpname:Chemical Name>
SQ 40

>  <dtpname:Chemical Name>
Sulquin

>  <dtpname:Chemical Name>
Avicocid

>  <dtpname:Chemical Name>
Sulfacox

>  <dtpname:Chemical Name>
Kokozigal

>  <dtpname:Chemical Name>
Italquina

>  <dtpname:Chemical Name>
Sulfaline

>  <dtpname:Chemical Name>
Sulfa-Q 20

>  <dtpname:Chemical Name>
Ursokoxaline

>  <dtpname:Chemical Name>
Compound 3-120

>  <dtpname:Chemical Name>
Sulfaquinoxaline

>  <dtpname:Chemical Name>
Sulfabenzpyrazine

>  <dtpname:Chemical Name>
S. Q. "40 per cent"

>  <dtpname:Chemical Name>
2-Sulfanilamidoquinoxaline

>  <dtpname:Chemical Name>
2-Sulfanilamidobenzopyrazine

>  <dtpname:Chemical Name>
N'-(2-Quinoxalyl)sulfanilamide

>  <dtpname:Chemical Name>
2-(p-Sulfanilamido)quinoxaline

>  <dtpname:Chemical Name>
N-(2-Quinoxalinyl)sulfanilamide

>  <dtpname:Chemical Name>
N(sup1)-Quinoxalin-2-ylsulfanilamide

>  <dtpname:Chemical Name>
N(sup1)-(2-Quinoxalinyl)sulfanilamide

>  <dtpname:Chemical Name>
Sulfanilamide, N(sup1)-2-quinoxalinyl-

>  <dtpname:Chemical Name>
2-(p-Aminobenzene)sulfonamidoquinoxaline

>  <dtpname:Chemical Name>
WLN: T66 BN ENJ CMSWR DZ

>  <dtpname:9th C.I.>
Benzenesulfonamide, 4-amino-N-2-quinoxalinyl-

>  <dtpname:8th C.I.>
Sulfanilamide, N1-2-quinoxalinyl-

$$$$
45536
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.4179   -4.7130    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189   -3.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189   -2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -4.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
45536

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1960-13-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H11FN2O

>  <Molecular Weight (nearest integer)>
266

>  <dtpname:Chemical Name>
2-Naphthol, 1-(p-fluorophenylazo)-

$$$$
13579
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385   -5.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781   -7.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8271   -8.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -7.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  9  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
13579

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5443-01-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10ClNO2S

>  <Molecular Weight (nearest integer)>
268

$$$$
15358
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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   -0.2745   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  17   1  18  -1
M  END
>  <NSC>
15358

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
12223-84-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N3O4S

>  <Molecular Weight (nearest integer)>
293

>  <dtpname:Chemical Name>
Sulfanilamide, 3-nitro-N4-phenyl-

>  <dtpname:Chemical Name>
3-Nitro-4-(phenylamino)benzenesulfonamide

>  <dtpname:9th C.I.>
Benzenesulfonamide, 3-nitro-4-(phenylamino)-

$$$$
19136
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -10.6751    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6751    1.0101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0771    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
19136

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6958-84-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12ClN5

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
6-chloro-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

$$$$
21683
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.1015   -0.6752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <NSC>
21683

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5456-92-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H16N6

>  <Molecular Weight (nearest integer)>
292

$$$$
26692
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  9 22  1  0  0  0  0
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 16 20  1  0  0  0  0
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 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
26692

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5471-41-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N2O3

>  <Molecular Weight (nearest integer)>
296

$$$$
32892
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <NSC>
32892

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6269-35-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12ClNO3

>  <Molecular Weight (nearest integer)>
278

$$$$
36815
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
>  <NSC>
36815

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6266-77-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N4O3

>  <Molecular Weight (nearest integer)>
264

$$$$
40275
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.4285   -5.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275   -5.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285   -3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275   -2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   -5.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   -3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1294   -7.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285   -8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4686   -7.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677   -8.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285   -9.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -9.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677   -9.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1294  -10.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4686  -10.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275  -10.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   -9.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275  -11.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275   -7.2758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
40275

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6973-58-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13NO2

>  <Molecular Weight (nearest integer)>
263

>  <dtpname:9th C.I.>
2-Naphthalenecarboxylic acid, 3-(phenylamino)-

>  <dtpname:8th C.I.>
2-Naphthoic acid, 3-anilino-

$$$$
42096
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.9216    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0736    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3726   -0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745   -0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3726   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0736   -2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9707    2.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9707    1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2697    3.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2697    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5687    2.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5687    1.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8678    0.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6716    0.6764    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -6.4216   -0.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735   -3.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
42096

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6308-62-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11AsO4

>  <Molecular Weight (nearest integer)>
294

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-42096

$$$$
45745
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.1907    6.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8949    5.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3721    5.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5808    7.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    7.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2231    2.1495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3750    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    7.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136    8.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    9.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    9.8409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722    9.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
45745

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6297-92-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N3O4

>  <Molecular Weight (nearest integer)>
261

$$$$
13658
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3330    8.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   10.4578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    9.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866    9.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7231   10.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
13658

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1530-58-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16O5

>  <Molecular Weight (nearest integer)>
264

$$$$
15359
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.5736    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    4.0245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755    5.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <NSC>
15359

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91-30-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12N2O3S

>  <Molecular Weight (nearest integer)>
264

>  <dtpname:Chemical Name>
6-Anilinometanilic acid

>  <dtpname:Chemical Name>
Metanilic acid, 6-anilino-

>  <dtpname:Chemical Name>
4-Amino-2-sulfodiphenylamine

>  <dtpname:Chemical Name>
4-Aminodiphenylamine-2-sulfonic acid

>  <dtpname:Chemical Name>
5-Amino-2-anilinobenzenesulfonic acid

>  <dtpname:Chemical Name>
N-Phenyl-p-phenylenediaminesulfonic acid

>  <dtpname:9th C.I.>
Benzenesulfonic acid, 5-amino-2-(phenylamino)-

>  <dtpname:8th C.I.>
Benzenesulfonic acid, 5-amino-2-anilino-

$$$$
19141
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.9216  -10.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021   -7.3110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021   -9.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5522   -3.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4031   -3.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917   -5.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936   -3.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8822   -5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331   -5.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9617   -3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8656   -5.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8445   -2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 12  2  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 19  1  0  0  0  0
  5 15  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
19141

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6958-87-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14ClN5

>  <Molecular Weight (nearest integer)>
288

$$$$
21709
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <NSC>
21709

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5436-38-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17N5O3

>  <Molecular Weight (nearest integer)>
279

$$$$
28377
  CML DOM 09261310112D

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 17 18  2  0  0  0  0
M  END
>  <NSC>
28377

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5472-56-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H15N5O2S

>  <Molecular Weight (nearest integer)>
269

$$$$
33010
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
33010

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6265-61-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15NS

>  <Molecular Weight (nearest integer)>
253

$$$$
37433
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
37433

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6272-43-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12O4

>  <Molecular Weight (nearest integer)>
256

$$$$
40306
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
40306

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12ClNO2

>  <Molecular Weight (nearest integer)>
298

$$$$
42135
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
M  END
>  <NSC>
42135

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6633-66-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10BrN5

>  <Molecular Weight (nearest integer)>
280

$$$$
45815
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   -4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 14  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
45815

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52026-44-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H20N4O2

>  <Molecular Weight (nearest integer)>
264

$$$$
46212
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.0490   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -3.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086   -3.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786   -1.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295   -0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0499   -3.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895   -4.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
46212

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6341-37-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H22N2O2

>  <Molecular Weight (nearest integer)>
298

$$$$
52241
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -8.2703    3.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5203    2.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5203    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2703    6.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0203    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2703    6.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5203    5.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4713    3.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8732    3.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.6674    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0693    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0693   -1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6674   -1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3684   -1.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7703    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0203   -0.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  2  3  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 11 13  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
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 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
52241

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1522-13-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H16O

>  <Molecular Weight (nearest integer)>
284

>  <dtpname:9th C.I.>
Benzenemethanol, .alpha.-phenyl-.alpha.-(phenylethynyl)-

>  <dtpname:8th C.I.>
2-Propyn-1-ol, 1,1,3-triphenyl-

$$$$
59430
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.3235   -8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245  -10.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245  -12.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717   -3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226  -10.7745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736  -10.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
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  3  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
59430

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7400-19-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10ClN3O2S

>  <Molecular Weight (nearest integer)>
284

$$$$
66020
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.2510   -4.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4017   -0.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    2.8068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1707   -2.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471   -4.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4560    2.4154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8456    1.5636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5266    4.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247    4.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    2.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599    1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846    0.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2978   -0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2053   -0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045   -1.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -2.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6617   -1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6688   -2.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 12  2  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 20  1  0  0  0  0
  4  5  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
66020

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
30195-30-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10ClN3O

>  <Molecular Weight (nearest integer)>
260

>  <dtpname:8th C.I.>
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrrol-2-yl-

$$$$
76549
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -9.4683   -1.3995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    3.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    4.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 17  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
76549

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
121-22-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13ClN2O

>  <Molecular Weight (nearest integer)>
261

>  <dtpname:Chemical Name>
Fast Bordeaux 3B base

>  <dtpname:9th C.I.>
Benzamide, N-(4-amino-2-chloro-5-methylphenyl)-

>  <dtpname:8th C.I.>
m-Benzotoluidide, 4'-amino-6'-chloro-

$$$$
88324
  CML DOM 09261310112D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.8211   -5.1495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <NSC>
88324

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
615-57-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5Br2N

>  <Molecular Weight (nearest integer)>
251

>  <dtpname:9th C.I.>
Benzenamine, 2,4-dibromo-

$$$$
92937
  CML DOM 09261310112D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -5.6527   -3.4848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5121   -1.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027   -5.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084   -2.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412   -2.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -3.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5010   -4.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9682   -5.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392   -4.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4318   -6.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
92937

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
68452-38-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11NO2

>  <Molecular Weight (nearest integer)>
261

>  <dtpname:Chemical Name>
1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-

$$$$
100058
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.0264    8.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0872    3.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5036    8.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0961    5.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980    5.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    4.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990    4.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2764    6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5872    3.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5265    2.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170    1.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3951    4.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
100058

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
357-70-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H21NO3

>  <Molecular Weight (nearest integer)>
287

>  <dtpname:Chemical Name>
Jilkon

>  <dtpname:Chemical Name>
Lycoremin

>  <dtpname:Chemical Name>
Lycoremine

>  <dtpname:Chemical Name>
Galantamin

>  <dtpname:Chemical Name>
Galantamine

>  <dtpname:Chemical Name>
GALANTHAMINE

>  <dtpname:Chemical Name>
6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, [4aS-(4a.alpha.,6.beta.,8aR*)]-

>  <dtpname:9th C.I.>
Galanthamine

>  <dtpname:8th C.I.>
Galanthamine

$$$$
105432
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.7864    1.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340    2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    3.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2283    1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0671    2.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1240   -0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1240   -3.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2900    1.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4721   -1.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0211   -3.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
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  6  8  2  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <NSC>
105432

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N2O4S

>  <Molecular Weight (nearest integer)>
284

$$$$
112965
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
  -11.4168   -7.7745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5197   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6226   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
112965

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14FNO2

>  <Molecular Weight (nearest integer)>
271

$$$$
47522
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.1716    6.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    7.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735    1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
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 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
47522

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90767-70-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8Cl2N4

>  <Molecular Weight (nearest integer)>
255

$$$$
54645
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.9461   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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 14 18  1  0  0  0  0
 16 17  2  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
54645

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6622-57-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13NO4

>  <Molecular Weight (nearest integer)>
283

$$$$
59782
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.6020   -4.6820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
59782

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6628-96-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N4

>  <Molecular Weight (nearest integer)>
252

$$$$
68841
  CML DOM 09261310112D

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M  END
>  <NSC>
68841

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13NO3

>  <Molecular Weight (nearest integer)>
267

$$$$
76747
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
76747

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
525-58-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16N2

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:Chemical Name>
Indole, 2-methyl-3-[(2-methyl-3H-indol-3-ylidene)methyl]-

$$$$
88349
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
88349

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4314-49-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5HF7N2O2

>  <Molecular Weight (nearest integer)>
254

$$$$
93427
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
93427

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14N2O

>  <Molecular Weight (nearest integer)>
286

$$$$
100942
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
100942

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O3S2

>  <Molecular Weight (nearest integer)>
274

$$$$
107022
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    4.9216   -1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -2.7254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1 15  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
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  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8 11  2  0  0  0  0
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 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <NSC>
107022

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
568-80-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H6O8

>  <Molecular Weight (nearest integer)>
278

>  <dtpname:Chemical Name>
Galloflavin

$$$$
116640
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.3656   -7.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  3  0  0  0  0
M  END
>  <NSC>
116640

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13N3

>  <Molecular Weight (nearest integer)>
295

$$$$
49643
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.4826   10.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0126    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7136    7.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6778    6.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
49643

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58661-24-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20O5

>  <Molecular Weight (nearest integer)>
292

$$$$
54860
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.8612   -2.7752    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7789   -1.0991    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4432    0.0177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862    1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
54860

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H6Cl2OS2

>  <Molecular Weight (nearest integer)>
289

$$$$
59984
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0001    1.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  2  0  0  0  0
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M  CHG  2  17   1  18  -1
M  END
>  <NSC>
59984

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15N3O4

>  <Molecular Weight (nearest integer)>
265

$$$$
68971
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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M  END
>  <NSC>
68971

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11NO5

>  <Molecular Weight (nearest integer)>
273

$$$$
78623
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  2 13  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
>  <NSC>
78623

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64567-62-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2O6

>  <Molecular Weight (nearest integer)>
292

>  <dtpname:9th C.I.>
2H-Isoindole-2-acetic acid, .alpha.-(3-amino-3-oxopropyl)-1,3-dihydro-5-hydroxy-1,3-dioxo-

$$$$
88402
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3189    3.7650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
88402

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N2O2PS

>  <Molecular Weight (nearest integer)>
292

$$$$
93945
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
93945

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
40367-32-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O5

>  <Molecular Weight (nearest integer)>
262

$$$$
101298
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
101298

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H19N3O

>  <Molecular Weight (nearest integer)>
269

$$$$
108783
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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M  END
>  <NSC>
108783

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5592-03-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8N2O3S

>  <Molecular Weight (nearest integer)>
272

$$$$
58347
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
58347

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6627-23-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9ClN4O3

>  <Molecular Weight (nearest integer)>
281

$$$$
49847
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
49847

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7AsO2S2

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-49847

$$$$
55172
  CML DOM 09261310112D

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M  END
>  <NSC>
55172

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7399-13-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19NO6

>  <Molecular Weight (nearest integer)>
285

$$$$
60037
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -7.3995   -6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995   -6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
60037

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
617-19-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N6O

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:Chemical Name>
Niazo

>  <dtpname:Chemical Name>
Netropin

>  <dtpname:Chemical Name>
Neotropin

>  <dtpname:9th C.I.>
2,6-Pyridinediamine, 3-[(6-butoxy-3-pyridinyl)azo]-

>  <dtpname:8th C.I.>
Pyridine, 2,6-diamino-6'-butoxy-3,3'-azodi-

$$$$
70307
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
M  END
>  <NSC>
70307

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17N3O4

>  <Molecular Weight (nearest integer)>
267

$$$$
78697
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  19   1  20  -1
M  END
>  <NSC>
78697

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57743-37-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H8N4O2

>  <Molecular Weight (nearest integer)>
264

>  <dtpname:Chemical Name>
9-Nitro-6H-indolo(2,3-b)quinoxaline

$$$$
88795
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
88795

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15NO2

>  <Molecular Weight (nearest integer)>
253

$$$$
95909
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  2  0  0  0  0
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 13 22  1  0  0  0  0
 14 18  2  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
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 19 21  2  0  0  0  0
M  END
>  <NSC>
95909

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10N2O3

>  <Molecular Weight (nearest integer)>
266

$$$$
101345
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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   -2.4357    3.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
101345

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H19N7O

>  <Molecular Weight (nearest integer)>
265

$$$$
109747
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.1202    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <NSC>
109747

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13NO2

>  <Molecular Weight (nearest integer)>
263

$$$$
53934
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -3.4243    0.8982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
53934

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6960-60-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H17N3O5

>  <Molecular Weight (nearest integer)>
295

$$$$
50199
  CML DOM 09261310112D

 13 14  0  0  0  0  0  0  0  0999 V2000
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   -0.7500    8.7990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
50199

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10BrN3S

>  <Molecular Weight (nearest integer)>
260

$$$$
55453
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
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 18 19  3  0  0  0  0
M  END
>  <NSC>
55453

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6623-82-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N4OS

>  <Molecular Weight (nearest integer)>
272

$$$$
60303
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
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  2  7  1  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
60303

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6626-07-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11ClN2O3

>  <Molecular Weight (nearest integer)>
279

>  <dtpname:Chemical Name>
4-Chloro-2-[(6-methoxypyridin-3-yl)amino]benzoic acid

$$$$
72947
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  16   1  17  -1
M  END
>  <NSC>
72947

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1089-87-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N2O7

>  <Molecular Weight (nearest integer)>
282

$$$$
79887
  CML DOM 09261310112D

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M  END
>  <NSC>
79887

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19056-78-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16ClNO4

>  <Molecular Weight (nearest integer)>
298

$$$$
89349
  CML DOM 09261310112D

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M  END
>  <NSC>
89349

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
956-34-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11Cl2NS

>  <Molecular Weight (nearest integer)>
284

$$$$
97865
  CML DOM 09261310112D

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M  END
>  <NSC>
97865

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3414-47-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10F3NO2S

>  <Molecular Weight (nearest integer)>
277

>  <dtpname:Chemical Name>
U 11634

>  <dtpname:Chemical Name>
5-[[(.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl)oxy]methyl]-2-oxazolidinethione

>  <dtpname:Chemical Name>
WLN: T5MYOTJ BUS D1OR CXFFF

>  <dtpname:9th C.I.>
2-Oxazolidinethione, 5-[[3-(trifluoromethyl)phenoxy]methyl]-

>  <dtpname:8th C.I.>
2-Oxazolidinethione, 5-[[(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)oxy]methyl]-

$$$$
101679
  CML DOM 09261310112D

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M  END
>  <NSC>
101679

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15N3O3

>  <Molecular Weight (nearest integer)>
273

$$$$
110899
  CML DOM 09261310112D

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M  END
>  <NSC>
110899

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62113-92-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10O5S

>  <Molecular Weight (nearest integer)>
254

$$$$
66122
  CML DOM 09261310112D

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   11.2456    2.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    5.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 22  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
66122

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5273-56-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H16N2

>  <Molecular Weight (nearest integer)>
284

$$$$
50680
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2 19  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4 21  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 18  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
50680

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
135-62-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15NO3

>  <Molecular Weight (nearest integer)>
293

>  <dtpname:Chemical Name>
Celcot RK

>  <dtpname:Chemical Name>
Azotol OA

>  <dtpname:Chemical Name>
Diathol OL

>  <dtpname:Chemical Name>
C.I. 37530

>  <dtpname:Chemical Name>
Diathol BO

>  <dtpname:Chemical Name>
Naphtazol F

>  <dtpname:Chemical Name>
Naftolo MOL

>  <dtpname:Chemical Name>
Azoground OL

>  <dtpname:Chemical Name>
Brentosyn FR

>  <dtpname:Chemical Name>
Azonaphtol OA

>  <dtpname:Chemical Name>
Naphtoelan OL

>  <dtpname:Chemical Name>
Naphthoide OL

>  <dtpname:Chemical Name>
Naphthanil OL

>  <dtpname:Chemical Name>
Dragonthol OL

>  <dtpname:Chemical Name>
Naphtol AS-OL

>  <dtpname:Chemical Name>
Tulathol AS-OL

>  <dtpname:Chemical Name>
Amarthol AS-OL

>  <dtpname:Chemical Name>
Kambothol ASOL

>  <dtpname:Chemical Name>
Naphthol AS-OL

>  <dtpname:Chemical Name>
Solunaptol FRL

>  <dtpname:Chemical Name>
Naphtanilide OL

>  <dtpname:Chemical Name>
Irganaphthol RK

>  <dtpname:Chemical Name>
Cibanaphthol RK

>  <dtpname:Chemical Name>
Acna Naphthol O

>  <dtpname:Chemical Name>
Anthonaphthol MF

>  <dtpname:Chemical Name>
C.I. Developer 22

>  <dtpname:Chemical Name>
Daito Grounder OL

>  <dtpname:Chemical Name>
Hiltonaphthol AS-OL

>  <dtpname:Chemical Name>
Mitsui Naphthozol OL

>  <dtpname:Chemical Name>
Amanil Naphthol AS-OL

>  <dtpname:Chemical Name>
Miketazol Developer NLF

>  <dtpname:Chemical Name>
Azoic coupling component 20

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 20

>  <dtpname:Chemical Name>
3-Hydroxy-2-naphthoic o-anisidide

>  <dtpname:Chemical Name>
2-(3-Hydroxy-2-naphthamido)anisole

>  <dtpname:Chemical Name>
3-Hydroxy-2'-methoxy-2-naphthanilide

>  <dtpname:Chemical Name>
3-(2-Methoxyphenylcarbamoyl)-2-naphthol

>  <dtpname:Chemical Name>
3-(o-Methoxyphenylaminocarbonyl)-2-naphthol

>  <dtpname:Chemical Name>
1-(2',3'-Hydroxynaphthoylamino)-2-methoxybenzene

>  <dtpname:9th C.I.>
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxyphenyl)-

>  <dtpname:8th C.I.>
2-Naphth-o-anisidide, 3-hydroxy-

$$$$
55845
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.6444   -0.4514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9558   -1.9188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272   -2.9095    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6546    4.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4041    3.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546    4.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4041    3.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1537    2.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1527   -0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5421   -1.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959   -1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599   -2.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893   -3.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6565   -2.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566   -3.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968    1.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
55845

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6631-06-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13ClN2O

>  <Molecular Weight (nearest integer)>
285

$$$$
61929
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.4774   -7.2481    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5965   -3.8041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1352   -6.9296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5143   -2.6850    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198   -1.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203   -3.5580    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8334   -4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3698   -5.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198   -3.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2599   -4.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7964   -5.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698   -5.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9881   -6.6616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
61929

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
83850-00-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7HCl5O2

>  <Molecular Weight (nearest integer)>
294

$$$$
73295
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.3393    2.5425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    0.2908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374    2.5390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9394    4.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9312   -1.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626    2.2488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426    1.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2354    1.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333    0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9333   -0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6593   -0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3352   -0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1281    3.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1209   -1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156   -2.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5876   -1.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5929   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1313    0.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
73295

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7354-92-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N4O4

>  <Molecular Weight (nearest integer)>
252

$$$$
82269
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.3618    0.1154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4364   -1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722    1.7886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675    3.2886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707   -0.5220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5063    0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015   -1.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7619   -1.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8735   -2.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3546    1.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8884    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387    0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9026   -1.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9098   -2.4242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3760   -2.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830    2.8286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
  2 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3  4  1  0  0  0  0
  5 15  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
82269

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4244-51-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N4OS

>  <Molecular Weight (nearest integer)>
272

$$$$
89429
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
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  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
89429

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18ClN3S

>  <Molecular Weight (nearest integer)>
296

$$$$
98026
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  2 12  2  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
98026

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16O5

>  <Molecular Weight (nearest integer)>
300

$$$$
101758
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.8378   -2.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
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 13 16  1  0  0  0  0
M  END
>  <NSC>
101758

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12F3NO5

>  <Molecular Weight (nearest integer)>
259

$$$$
111847
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.8726   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    2.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    2.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
111847

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
894-93-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13NO2

>  <Molecular Weight (nearest integer)>
263

$$$$
23715
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
23715

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H19N5O2

>  <Molecular Weight (nearest integer)>
265

$$$$
51349
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1 11  2  0  0  0  0
  2  9  1  0  0  0  0
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  3  8  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
51349

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6344-92-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13NO4

>  <Molecular Weight (nearest integer)>
283

$$$$
55862
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
55862

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1684-07-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H14O2

>  <Molecular Weight (nearest integer)>
298

$$$$
62901
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.2500    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.2500    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    4.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <NSC>
62901

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
618-22-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10AsNO4

>  <Molecular Weight (nearest integer)>
259

>  <dtpname:Chemical Name>
Arsacetin

>  <dtpname:Chemical Name>
[4-(ACETYLAMINO)PHENYL]ARSONIC ACID

>  <dtpname:9th C.I.>
Arsonic acid, [4-(acetylamino)phenyl]-

>  <dtpname:8th C.I.>
Arsanilic acid, N-acetyl-

$$$$
73753
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.9755    4.9216    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    2.3236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    4.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    7.5197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    8.8188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    4.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   10.1178    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
73753

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7144-25-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6Cl2N2O2S

>  <Molecular Weight (nearest integer)>
289

$$$$
87008
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
  -11.3163   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3163   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <NSC>
87008

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H23N3OS

>  <Molecular Weight (nearest integer)>
293

>  <dtpname:Chemical Name>
4-(1-Hydroxy-2-methylpropan-2-yl)-N-phenylpiperazine-1-carbothioamide

$$$$
89759
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -4.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
89759

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
487-49-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14O4

>  <Molecular Weight (nearest integer)>
258

$$$$
98049
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
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  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
98049

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12ClN3O4

>  <Molecular Weight (nearest integer)>
262

$$$$
102554
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992    5.9880    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1403    8.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9836    7.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268    9.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6132    6.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5565    9.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3997    7.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294    7.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 19  2  0  0  0  0
  7 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
102554

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13146-75-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N3O2S

>  <Molecular Weight (nearest integer)>
263

$$$$
112541
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
112541

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14304-66-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O2

>  <Molecular Weight (nearest integer)>
292

$$$$
33182
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
33182

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N4OS2

>  <Molecular Weight (nearest integer)>
276

$$$$
51351
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
51351

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
76554-24-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16O4

>  <Molecular Weight (nearest integer)>
284

>  <dtpname:Chemical Name>
CHALCONE,2-HYDROXY-4,6-DIMETHYL

$$$$
58724
  CML DOM 09261310112D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
58724

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3241-08-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O3

>  <Molecular Weight (nearest integer)>
256

$$$$
63161
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
63161

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17591-59-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H16N4

>  <Molecular Weight (nearest integer)>
264

$$$$
76478
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <NSC>
76478

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13N5

>  <Molecular Weight (nearest integer)>
287

$$$$
87690
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
  -13.0806    3.6497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7815    5.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7816    1.3997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7816   -0.1003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.7816    4.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.4825    2.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1742    2.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0806    2.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
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  3  4  1  0  0  0  0
  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  CHG  2  19   1  20  -1
M  END
>  <NSC>
87690

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13233-86-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9N5O3

>  <Molecular Weight (nearest integer)>
271

>  <dtpname:Chemical Name>
9-(p-Nitrobenzyl)-9H-purin-6-ol

>  <dtpname:Chemical Name>
9H-Purin-6-ol, 9-(p-nitrobenzyl)-

>  <dtpname:9th C.I.>
6H-Purin-6-one, 1,9-dihydro-9-[(4-nitrophenyl)methyl]-

$$$$
92849
  CML DOM 09261310112D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.7109    4.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    8.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8909    5.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
92849

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19783-62-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N2O3S

>  <Molecular Weight (nearest integer)>
278

$$$$
98938
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -6.8702    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
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 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
98938

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16O3

>  <Molecular Weight (nearest integer)>
280

$$$$
103189
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.1508    4.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1508    9.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1508    7.0153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6508    7.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4008    8.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008    8.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    7.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    8.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008    8.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1508    7.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1508    9.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008   10.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    4.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    3.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  3  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <NSC>
103189

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21680-48-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12F3N3O2

>  <Molecular Weight (nearest integer)>
299

$$$$
112547
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.9731    1.3755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.6255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.8755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <NSC>
112547

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O2S

>  <Molecular Weight (nearest integer)>
298

$$$$
116508
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <NSC>
116508

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H24N2O2

>  <Molecular Weight (nearest integer)>
276

$$$$
116644
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.2626   -6.1317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891   -5.6682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  2  0  0  0  0
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 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
116644

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13226-09-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14N2

>  <Molecular Weight (nearest integer)>
270

$$$$
120961
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.7697    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   8   1   9  -1
M  END
>  <NSC>
120961

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H20N2O4

>  <Molecular Weight (nearest integer)>
280

$$$$
127886
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
  -10.6480    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6480    0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0499    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3489    2.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1635   -2.3480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
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 15 16  2  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
127886

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N2O4

>  <Molecular Weight (nearest integer)>
278

>  <dtpname:Chemical Name>
Ethyl 2-cyano-3-imino-3-(2-oxooctahydro-1-benzofuran-3-yl)propanoate

$$$$
134199
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.8726   -1.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
134199

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N4O4S

>  <Molecular Weight (nearest integer)>
294

$$$$
139021
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -6.3831   -7.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870   -4.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
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  2  3  2  0  0  0  0
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  8 10  2  0  0  0  0
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 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <NSC>
139021

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1147-56-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9N3OS

>  <Molecular Weight (nearest integer)>
255

>  <dtpname:Chemical Name>
1-(2-Thiazoylazo)-2-naphthol

>  <dtpname:Chemical Name>
1-(2-Thiazolylazo)-2-naphthol

>  <dtpname:9th C.I.>
2-Naphthalenol, 1-(2-thiazolylazo)-

>  <dtpname:8th C.I.>
2-Naphthol, 1-(2-thiazolylazo)-

$$$$
149312
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  4   1  -1   2   1   3   1   4  -1
M  END
>  <NSC>
149312

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65990-96-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O2

>  <Molecular Weight (nearest integer)>
266

$$$$
159686
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.5712    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
159686

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13898-58-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11NO4

>  <Molecular Weight (nearest integer)>
257

>  <dtpname:Chemical Name>
Benzoylpas

>  <dtpname:Chemical Name>
4-Benzamidosalicylic acid

>  <dtpname:Chemical Name>
Benzoyl-p-aminosalicylic acid

>  <dtpname:9th C.I.>
Benzoic acid, 4-(benzoylamino)-2-hydroxy-

>  <dtpname:8th C.I.>
Salicylic acid, 4-benzamido-

$$$$
166634
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.1527   -2.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2257   -4.9517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4720   -1.5288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2584   -2.4104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6855   -2.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2220   -3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7220   -3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1564   -3.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6929   -4.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6236   -2.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9355   -4.3687    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.0909   -2.5896    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.3118   -1.4342    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4720   -0.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403   -5.0506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  5  1  0  0  0  0
  2  9  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
166634

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6Cl3N5

>  <Molecular Weight (nearest integer)>
267

$$$$
176367
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
176367

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4921-86-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N3OS

>  <Molecular Weight (nearest integer)>
257

$$$$
203837
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4392   -0.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064   -0.7582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -1.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929   -2.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0632   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9603   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2594   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5584   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8575   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2594   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8575   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9603   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5584   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026   -1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3623   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9603   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
203837

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13N3O2

>  <Molecular Weight (nearest integer)>
267

$$$$
117197
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.6924    1.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    3.6048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905    5.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905    1.3548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4796    5.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0161    4.0683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4796    0.2147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3159    5.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0161    1.6413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060    3.6048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4196    4.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7794    4.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8978    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7795    1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3208    1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0089   -0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5823   -0.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905    4.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5895    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5895    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924    4.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905   -0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 20  2  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
117197

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21943-52-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13N5O3

>  <Molecular Weight (nearest integer)>
299

$$$$
121182
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -0.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -4.8782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -6.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9301   -5.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -5.6282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -8.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -7.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2951   -8.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
121182

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24807-84-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N6O3

>  <Molecular Weight (nearest integer)>
266

>  <dtpname:Chemical Name>
9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine

>  <dtpname:9th C.I.>
9H-Purin-6-amine, 9-(2-amino-2-deoxy-.beta.-D-xylofuranosyl)-

$$$$
129220
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
129220

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10212-28-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11N3O4.C2H4O2

>  <Molecular Weight (nearest integer)>
285

>  <dtpname:Chemical Name>
Cyclo-C

>  <dtpname:Chemical Name>
O2,2'-Cyclocytidine monoacetate

>  <dtpname:Chemical Name>
O2,2'-Cyclocytidine, monoacetate (salt)

>  <dtpname:9th C.I.>
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.,9a.beta.))-, monoacetate (salt)

$$$$
134674
  CML DOM 09261310112D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.3236    2.5245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -0.4755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1108   -1.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473    2.2380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -0.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
134674

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2338-10-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6HCl4N3

>  <Molecular Weight (nearest integer)>
257

$$$$
140873
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -7.5702    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5702   -3.9954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9721    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8692    2.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1682    2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9721    2.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
M  END
>  <NSC>
140873

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12ClN3O2

>  <Molecular Weight (nearest integer)>
278

>  <dtpname:Chemical Name>
2-Amino-N-(4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl)acetamide

$$$$
151262
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -8.7182   -8.8995    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -2.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <NSC>
151262

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9BrN2

>  <Molecular Weight (nearest integer)>
285

>  <dtpname:Chemical Name>
Benzeneacetonitrile, 4-bromo-.alpha.-(3-pyridinylmethylene)-

$$$$
162188
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -5.0490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.2990    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -8.5442   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990   -3.3481    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   1  -1   2   1
M  END
>  <NSC>
162188

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7F6NO2

>  <Molecular Weight (nearest integer)>
275

$$$$
166846
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    7.2452    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
166846

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N4O3

>  <Molecular Weight (nearest integer)>
266

$$$$
178873
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
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  2  9  2  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  9 19  1  0  0  0  0
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 10 19  1  0  0  0  0
 12 13  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
178873

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67194-28-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16O6

>  <Molecular Weight (nearest integer)>
268

$$$$
205909
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.5246   12.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <NSC>
205909

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54780-06-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O3S

>  <Molecular Weight (nearest integer)>
290

$$$$
117446
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.1235    7.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235    7.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8735    5.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2334    5.7598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
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  7 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
117446

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59712-82-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H19NO4S

>  <Molecular Weight (nearest integer)>
261

$$$$
121268
  CML DOM 09261310112D

 20 23  0  0  0  0  0  0  0  0999 V2000
    6.1202    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3750    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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 15 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
121268

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20N2O2

>  <Molecular Weight (nearest integer)>
272

$$$$
129929
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.2231    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
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 18 19  1  0  0  0  0
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M  END
>  <NSC>
129929

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26687-09-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O2

>  <Molecular Weight (nearest integer)>
266

$$$$
135412
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 11 20  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  3  0  0  0  0
 19 21  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <NSC>
135412

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H20N2

>  <Molecular Weight (nearest integer)>
288

$$$$
140899
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
140899

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12N2O3

>  <Molecular Weight (nearest integer)>
268

$$$$
153172
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
153172

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25538-78-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O4

>  <Molecular Weight (nearest integer)>
272

$$$$
163802
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.4706    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  17   1  18  -1
M  END
>  <NSC>
163802

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31366-38-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2O4

>  <Molecular Weight (nearest integer)>
258

$$$$
168221
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6471   -7.4892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
168221

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O2S

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:Chemical Name>
5H-Pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (ester)

$$$$
179822
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
179822

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12O5

>  <Molecular Weight (nearest integer)>
260

$$$$
205913
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
205913

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O3S

>  <Molecular Weight (nearest integer)>
262

$$$$
117908
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
117908

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22258-76-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2S2

>  <Molecular Weight (nearest integer)>
286

$$$$
122253
  CML DOM 09261310112D

 22 27  0  0  0  0  0  0  0  0999 V2000
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   -6.6284   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.2265   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2687   -6.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9274   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7845   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3046   -0.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 17  2  0  0  0  0
  9 14  1  0  0  0  0
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 13 18  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
122253

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N2O2

>  <Molecular Weight (nearest integer)>
290

$$$$
130801
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -7.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
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 13 20  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
130801

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N2O2

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
2-{[(6-Methoxyquinolin-8-yl)amino]methyl}phenol

$$$$
135894
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3836   -2.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1231   -1.0930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4592   -4.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
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  3  5  1  0  0  0  0
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  4  6  2  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
135894

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12Cl3NO

>  <Molecular Weight (nearest integer)>
269

$$$$
141538
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -7.7784   -2.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1977   -7.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0284   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2784   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0284   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
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 19 21  1  0  0  0  0
M  END
>  <NSC>
141538

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H24O5

>  <Molecular Weight (nearest integer)>
296

>  <dtpname:Chemical Name>
OVALICINE SUBST.

>  <dtpname:Chemical Name>
Ovalicine subst.

$$$$
153792
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.8188   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8188   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9216    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <NSC>
153792

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N3O2

>  <Molecular Weight (nearest integer)>
269

$$$$
164464
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
164464

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4765-49-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11ClN2O2

>  <Molecular Weight (nearest integer)>
275

$$$$
168225
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -5.9855    3.1598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9855    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 22  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
168225

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25857-64-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N6

>  <Molecular Weight (nearest integer)>
278

$$$$
180964
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
M  END
>  <NSC>
180964

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57998-99-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H18O4

>  <Molecular Weight (nearest integer)>
274

$$$$
207895
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.2865    4.7747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  4   9   1  11  -1  17   1  18  -1
M  END
>  <NSC>
207895

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58131-57-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13N5O4

>  <Molecular Weight (nearest integer)>
279

>  <dtpname:Chemical Name>
Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide

>  <dtpname:Chemical Name>
WLN: T56 BNONJ BO FNW I- AT6N DNTJ D1

$$$$
118628
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
118628

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H16O5

>  <Molecular Weight (nearest integer)>
288

$$$$
122385
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 14 16  2  0  0  0  0
M  END
>  <NSC>
122385

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21431-24-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10N2O3S2

>  <Molecular Weight (nearest integer)>
270

$$$$
130847
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
M  END
>  <NSC>
130847

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
16219-60-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11N3O2

>  <Molecular Weight (nearest integer)>
289

$$$$
137399
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    7.6715   -5.6561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321   -4.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
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  1 20  2  0  0  0  0
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M  END
>  <NSC>
137399

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
94300-82-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H15NO

>  <Molecular Weight (nearest integer)>
273

$$$$
142269
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
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 16 18  1  0  0  0  0
M  END
>  <NSC>
142269

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15N3OS

>  <Molecular Weight (nearest integer)>
273

$$$$
154127
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.9731   -6.6495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -9.6495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.5221   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <NSC>
154127

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12Cl3N3

>  <Molecular Weight (nearest integer)>
281

$$$$
164880
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -2.8726    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <NSC>
164880

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17NO2

>  <Molecular Weight (nearest integer)>
291

$$$$
170637
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
  -12.4414    8.9183    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   -9.8433    5.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   1  -1   2   1
M  END
>  <NSC>
170637

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N4O

>  <Molecular Weight (nearest integer)>
256

$$$$
193528
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
193528

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1086-05-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N2O4S

>  <Molecular Weight (nearest integer)>
272

$$$$
211336
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   -7.2452   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   9   1  10  -1
M  END
>  <NSC>
211336

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13ClN2O4

>  <Molecular Weight (nearest integer)>
273

$$$$
119805
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.2113   -3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9123   -4.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104   -4.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104   -5.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9123   -5.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -6.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5829    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829    2.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810    2.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820    3.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161    3.2596    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    0.7161    4.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0152    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3142   -1.2404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6132   -3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133   -6.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
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  4  6  2  0  0  0  0
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  7  9  1  0  0  0  0
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  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
119805

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13N3O3

>  <Molecular Weight (nearest integer)>
295

$$$$
125344
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0245    3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    7.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7253    9.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9753    7.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5854    6.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0526    6.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <NSC>
125344

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28136-94-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17ClO3

>  <Molecular Weight (nearest integer)>
281

>  <dtpname:Chemical Name>
.alpha.-Chlorosantonin

>  <dtpname:9th C.I.>
Naphtho[1,2-b]furan-2,8(3H)-dione, 7-chloro-3a,4,5,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-

>  <dtpname:8th C.I.>
Eudesma-1,4-dien-12-oic acid, 2-chloro-6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-

$$$$
133002
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -7.1640   -6.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1640   -9.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8650   -7.2142    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3519   -5.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3878   -7.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9464   -6.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822   -5.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4630   -7.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4630   -8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8650   -8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -2.8784    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.4688    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9462   -3.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
133002

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10NO6P

>  <Molecular Weight (nearest integer)>
259

$$$$
137577
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.8702    0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    5.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    4.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    4.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1692    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7673    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  2  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  2  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
137577

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32812-32-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H17N3

>  <Molecular Weight (nearest integer)>
275

$$$$
144694
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9462   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
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 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
144694

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N2O

>  <Molecular Weight (nearest integer)>
274

$$$$
156957
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.3901   -3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -5.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6892   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6892   -9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6892   -5.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
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  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
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  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
156957

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
80953-62-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13NO5

>  <Molecular Weight (nearest integer)>
263

$$$$
165599
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.0711    6.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0711    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    5.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4731    3.4486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692    6.4486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9192    7.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9683    7.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9683    8.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692    9.4486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692   10.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673    9.4486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
165599

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
727-34-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N3O3S2

>  <Molecular Weight (nearest integer)>
287

$$$$
170955
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -4.6471    9.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
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 16 19  1  0  0  0  0
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 17 20  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
170955

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31232-26-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H21NO

>  <Molecular Weight (nearest integer)>
291

>  <dtpname:Chemical Name>
WA 335

>  <dtpname:Chemical Name>
W-A 335

>  <dtpname:Chemical Name>
WA 335BS

>  <dtpname:Chemical Name>
Danitracen

>  <dtpname:Chemical Name>
Danitracene

>  <dtpname:Chemical Name>
9,10-Dihydro-10-(1-methyl-4-piperidylidene)-9-anthrol

>  <dtpname:9th C.I.>
9-Anthracenol, 9,10-dihydro-10-(1-methyl-4-piperidinylidene)-

>  <dtpname:8th C.I.>
9-Anthrol, 9,10-dihydro-10-(1-methyl-4-piperidylidene)-

$$$$
195327
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
195327

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52583-84-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N5S

>  <Molecular Weight (nearest integer)>
271

>  <dtpname:Chemical Name>
4-APPT

$$$$
213708
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
213708

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9F2N3O2

>  <Molecular Weight (nearest integer)>
253

$$$$
120631
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.5221   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
120631

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22219-63-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14O4

>  <Molecular Weight (nearest integer)>
258

$$$$
125605
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -2.9731    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
125605

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33227-84-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15N3O2

>  <Molecular Weight (nearest integer)>
257

$$$$
133351
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -2.9731    2.1495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -2.9731    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
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  8 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
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M  CHG  4  14   1  15  -1  18   1  19  -1
M  END
>  <NSC>
133351

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3273-78-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N4O5

>  <Molecular Weight (nearest integer)>
290

$$$$
138389
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    3.5221    4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8211   11.1495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
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  4 13  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 12 13  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
138389

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13ClN2O2

>  <Molecular Weight (nearest integer)>
253

$$$$
147866
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
147866

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
78069-87-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H22N4

>  <Molecular Weight (nearest integer)>
282

$$$$
157522
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -8.5442   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
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 11 13  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
157522

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27398-41-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15ClN4

>  <Molecular Weight (nearest integer)>
275

$$$$
165701
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
  -11.6240    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1240    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
165701

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3974-60-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H17N3S

>  <Molecular Weight (nearest integer)>
295

>  <dtpname:Chemical Name>
4-[(5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-2-ylmethyl)sulfanyl]aniline

$$$$
174084
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
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 14 17  1  0  0  0  0
M  END
>  <NSC>
174084

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11BrN2O2

>  <Molecular Weight (nearest integer)>
295

$$$$
197046
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -0.2745    8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 13 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
197046

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H8N4O3S

>  <Molecular Weight (nearest integer)>
252

$$$$
214029
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.6740   -4.3995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
214029

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12FNO

>  <Molecular Weight (nearest integer)>
265

$$$$
120913
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.4283    3.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283    6.9738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7679    3.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9721    9.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
120913

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N2O3

>  <Molecular Weight (nearest integer)>
262

$$$$
126224
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.5245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0245   -7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2745   -3.6226    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.5245   -4.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2745   -6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  1 12  1  0  0  0  0
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M  CHG  2   9   1  10  -1
M  END
>  <NSC>
126224

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65974-52-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11NO6

>  <Molecular Weight (nearest integer)>
265

$$$$
134058
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -0.3750   -9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9240   -8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -6.6495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6740   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -5.1495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <NSC>
134058

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32330-98-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9N3OS2

>  <Molecular Weight (nearest integer)>
251

$$$$
138398
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.5736    6.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3235   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
138398

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H23N3O2

>  <Molecular Weight (nearest integer)>
289

$$$$
148832
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
148832

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21293-29-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O4

>  <Molecular Weight (nearest integer)>
264

>  <dtpname:Chemical Name>
ABA

>  <dtpname:Chemical Name>
Abscisin II

>  <dtpname:Chemical Name>
Abscisic acid

>  <dtpname:Chemical Name>
ABSCISIC ACID

>  <dtpname:Chemical Name>
(+)-Abscisin II

>  <dtpname:Chemical Name>
(+)-Abscisic acid

>  <dtpname:Chemical Name>
cis-Abscisic acid

>  <dtpname:Chemical Name>
Abscisic acid, (+)-

>  <dtpname:Chemical Name>
(S)-(+)-Abscisic acid

>  <dtpname:Chemical Name>
(+)-cis-Abscisic acid

>  <dtpname:Chemical Name>
Dormin (abscission factor)

>  <dtpname:Chemical Name>
2-cis,4-trans-Abscisic acid

>  <dtpname:Chemical Name>
cis-trans-(+)-Abscissic acid

>  <dtpname:9th C.I.>
2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, [S-(Z,E)]-

>  <dtpname:8th C.I.>
2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (Z,E)-(S)-(+)-

>  <dtpname:VAN>
Dormin

$$$$
158549
  CML DOM 09261310112D

 20 23  0  0  0  0  0  0  0  0999 V2000
    7.5408    0.9136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6976   -0.5781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3273   -1.1882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2957   -0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -1.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5947   -1.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5947   -2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9966   -2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2957   -3.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3235    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0735    3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8236   -0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235    5.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6976   -3.5781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
158549

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7554-97-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12N4

>  <Molecular Weight (nearest integer)>
260

$$$$
166596
  CML DOM 09261310112D

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.3753    7.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    8.2868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3388    5.9786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024    7.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5524    5.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4060    6.3967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6195    5.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1560    4.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6560    4.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1925    5.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7659    5.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024    7.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    5.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9572    4.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4654    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5673    3.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1938    2.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6856    2.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  2  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
166596

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8N4OS

>  <Molecular Weight (nearest integer)>
268

$$$$
175743
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <NSC>
175743

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N6

>  <Molecular Weight (nearest integer)>
268

$$$$
201634
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -4.6471   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    8.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   14.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
201634

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O2S

>  <Molecular Weight (nearest integer)>
274

$$$$
215275
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.1996    6.1192    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139    7.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274    6.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639    4.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7361    4.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925    8.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    7.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7043    9.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2456    9.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1309   10.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0355    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9171    0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0664    0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1847   -0.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456    3.4791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    6.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687    5.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    8.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
215275

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54968-39-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N2OS

>  <Molecular Weight (nearest integer)>
296

$$$$
215585
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.6069  -13.7474    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9233   -4.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -3.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -9.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -9.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9060   -9.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9060  -11.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079  -11.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069  -12.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902   -5.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5037   -4.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402   -3.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0088   -9.2474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089   -7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -6.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902   -6.9974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
215585

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12ClN3O2

>  <Molecular Weight (nearest integer)>
266

$$$$
241998
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
241998

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
36200-99-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N2O5

>  <Molecular Weight (nearest integer)>
294

$$$$
288024
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
288024

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24535-63-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11N3O3S2

>  <Molecular Weight (nearest integer)>
297

$$$$
299968
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
299968

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N4O3S

>  <Molecular Weight (nearest integer)>
270

$$$$
308814
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
M  END
>  <NSC>
308814

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13NO

>  <Molecular Weight (nearest integer)>
283

$$$$
319436
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 19 20  3  0  0  0  0
M  END
>  <NSC>
319436

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N3OS

>  <Molecular Weight (nearest integer)>
299

$$$$
331972
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
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M  CHG  2  16   1  17  -1
M  END
>  <NSC>
331972

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H17N3O3

>  <Molecular Weight (nearest integer)>
263

$$$$
352888
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
>  <NSC>
352888

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21738-42-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H21N3O3

>  <Molecular Weight (nearest integer)>
279

>  <dtpname:USAN>
Oxamniquine

>  <dtpname:Chemical Name>
Vansil

>  <dtpname:Chemical Name>
Mansil

>  <dtpname:Chemical Name>
UK 4261

>  <dtpname:Chemical Name>
UK 4271

>  <dtpname:Chemical Name>
UK-4271

>  <dtpname:Chemical Name>
2-(Isopropylaminomethyl)-7-nitro-1,2,3,4-tetrahydroquinoline-6-methanol

>  <dtpname:Chemical Name>
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinemethanol

>  <dtpname:9th C.I.>
6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-[[(1-methylethyl)amino]methyl]-7-nitro-

>  <dtpname:8th C.I.>
6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-[(isopropylamino)methyl]-7-nitro-

$$$$
367416
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
367416

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74396-45-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N4OS

>  <Molecular Weight (nearest integer)>
282

$$$$
177866
  CML DOM 09261310112D

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.0568    0.7055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6548    2.2055    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6548    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3558   -0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539   -0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539   -1.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3558   -1.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2529   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2529   -3.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549   -3.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568   -3.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539   -4.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3558   -4.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <NSC>
177866

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3352-83-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H7BrO

>  <Molecular Weight (nearest integer)>
259

>  <dtpname:Chemical Name>
2-bromo-1H-phenalen-1-one

$$$$
216183
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.8726   -2.5245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226  -13.7745    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.9216  -14.5245    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3235  -14.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
216183

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12FN3O3

>  <Molecular Weight (nearest integer)>
289

$$$$
242557
  CML DOM 09261310112D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    7.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    9.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    6.6962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    7.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    8.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8 11  3  0  0  0  0
  9 10  3  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <NSC>
242557

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10537-47-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H22N2O

>  <Molecular Weight (nearest integer)>
282

>  <dtpname:Chemical Name>
S-15126

>  <dtpname:Chemical Name>
GCP5126

>  <dtpname:Chemical Name>
GCP 5126

>  <dtpname:Chemical Name>
ENT 27910

>  <dtpname:Chemical Name>
Malonoben

>  <dtpname:Chemical Name>
(3,5-Di-t-butyl-4-hydroxybenzylidene)malononitrile

>  <dtpname:Chemical Name>
3,5-Di-tert-butyl-4-hydroxybenzilidenemalononitrile

>  <dtpname:Chemical Name>
(3,5-Di-tert-butyl-4-hydroxy-benzylidene)malononitrile

>  <dtpname:Chemical Name>
Malononitrile, 3,5-di-tert-butyl-4-hydroxybenzylidene-

>  <dtpname:Chemical Name>
2-[[3,5-Bis(1,1-dimethyl)-4-hydroxyphenyl]methylene]propanedinitrile

>  <dtpname:Chemical Name>
2-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile

>  <dtpname:9th C.I.>
Propanedinitrile, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-

$$$$
289748
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.3578   -0.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578    1.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -0.8963    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0688    1.5308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5323   -2.3228    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4505    0.3173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005   -0.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7005   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4505    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4505   -2.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9505    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9505   -2.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7005   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2005   -0.9817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5713   -1.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9505   -2.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9505    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  2   3   1   6  -1
M  END
>  <NSC>
289748

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60875-29-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N4OS

>  <Molecular Weight (nearest integer)>
262

$$$$
301167
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
301167

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10344-41-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7Cl2N3S

>  <Molecular Weight (nearest integer)>
272

$$$$
310113
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
310113

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
40106-36-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N2O3S

>  <Molecular Weight (nearest integer)>
278

$$$$
319471
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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M  END
>  <NSC>
319471

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N2O2S

>  <Molecular Weight (nearest integer)>
252

$$$$
332452
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <NSC>
332452

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9ClFN3OS

>  <Molecular Weight (nearest integer)>
286

$$$$
358311
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 18 19  2  0  0  0  0
M  END
>  <NSC>
358311

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
94597-56-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13N3O3

>  <Molecular Weight (nearest integer)>
271

$$$$
367474
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
367474

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19N3O

>  <Molecular Weight (nearest integer)>
281

$$$$
299967
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -5.7847    2.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2850    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2392   -1.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1670   -1.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6583   -2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
299967

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66870-63-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13N3O2S

>  <Molecular Weight (nearest integer)>
287

$$$$
216618
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    5.5712   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7673   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0663   -1.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -3.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -3.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -5.3504    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -6.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <NSC>
216618

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19N3OS

>  <Molecular Weight (nearest integer)>
265

$$$$
265372
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.4323    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0303    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0303    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3294    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3294    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6284    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6284    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4861    1.2012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765    3.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4861    2.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870   -1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7851    0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0842    1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  7  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2   5   1   6  -1
M  END
>  <NSC>
265372

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H20N6O

>  <Molecular Weight (nearest integer)>
264

>  <dtpname:Chemical Name>
Pyrazinecarbonitrile, 3-amino-5-[[2-(diethylamino)ethyl]amino]-6-methyl-, 4-oxide

$$$$
294150
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.2769    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5269    2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    1.5777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7806    0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5269    2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500    0.3231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    2.5649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7490    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7490   -1.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0481   -1.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0481    0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688   -1.0042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0422   -1.4677    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5835   -2.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3471   -1.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6461   -1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9452   -1.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4 16  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
>  <NSC>
294150

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62195-01-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H17N5O3

>  <Molecular Weight (nearest integer)>
291

$$$$
302584
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.8995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1495   -2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995   -3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495   -2.2231    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -3.5221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6495    2.9731    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.8995    4.2721    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.1495    2.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6495   -2.2231    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.8995   -3.5221    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.1495   -2.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  CHG  4  14   1  15  -1  17   1  18  -1
M  END
>  <NSC>
302584

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66474-53-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6N4O4S

>  <Molecular Weight (nearest integer)>
278

$$$$
311165
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.7024   -5.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524   -7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533   -8.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7514   -8.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533   -9.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7514   -9.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524  -10.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0504   -9.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024   -5.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6659   -6.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2388   -6.7412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -4.1011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5014  -11.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239   -9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597  -11.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6711   -4.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5528   -3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0445   -3.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6547   -4.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730   -5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2812   -5.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
311165

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H19N3O2

>  <Molecular Weight (nearest integer)>
285

>  <dtpname:Chemical Name>
Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-

>  <dtpname:Chemical Name>
Benzenamine, N-[4,4,6-trimethylspiro(7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol)-5-ylidene]-

$$$$
321792
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2663    6.3775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1644    7.5910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5782    7.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2791    8.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 10 12  2  0  0  0  0
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 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
321792

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8ClN3OS

>  <Molecular Weight (nearest integer)>
254

$$$$
338564
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -3.9954    7.5702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4954    7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <NSC>
338564

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13ClN4O

>  <Molecular Weight (nearest integer)>
277

$$$$
361570
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.2500    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5000    4.6471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.2500    5.9462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.2500    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 13 17  1  0  0  0  0
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 17 19  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
>  <NSC>
361570

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79340-22-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9N3O5S

>  <Molecular Weight (nearest integer)>
283

$$$$
367480
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -9.3409   -6.8212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1274   -5.9395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8774   -8.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1274   -4.4395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9139   -6.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3774   -8.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1754   -4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2902   -3.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7489   -4.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4370   -2.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6341   -5.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -4.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0104   -2.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -3.0364    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.7591   -9.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1490  -10.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0307  -12.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5225  -11.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1326  -10.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2509   -9.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4873   -6.3577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3 16  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
367480

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12ClN3O

>  <Molecular Weight (nearest integer)>
298

$$$$
217306
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0490    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990    8.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    3.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
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 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
217306

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H18O5

>  <Molecular Weight (nearest integer)>
290

$$$$
236254
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.6536   -5.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1901   -6.6746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0802   -4.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1949   -5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6215   -5.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8187   -2.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8000   -4.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4881   -3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2587   -5.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  2   4   1   6  -1
M  END
>  <NSC>
236254

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17953-33-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O2

>  <Molecular Weight (nearest integer)>
266

$$$$
269904
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -3.2691   -1.3191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124    0.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4108    0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5903    3.3898    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0856    0.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929   -4.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
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  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
269904

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16Cl2N2O

>  <Molecular Weight (nearest integer)>
299

$$$$
294153
  CML DOM 09261310112D

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M  CHG  4  15   1  16  -1  19   1  20  -1
M  END
>  <NSC>
294153

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62195-14-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8N6O4

>  <Molecular Weight (nearest integer)>
288

$$$$
302867
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 11 20  1  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <NSC>
302867

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79823-71-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N4O3

>  <Molecular Weight (nearest integer)>
288

>  <dtpname:Chemical Name>
3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyphenyl)imino]-, ethylester

$$$$
312606
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 15 16  3  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
312606

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70261-91-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N4O2

>  <Molecular Weight (nearest integer)>
284

$$$$
326644
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0  0  0  0
M  END
>  <NSC>
326644

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9ClN4

>  <Molecular Weight (nearest integer)>
269

$$$$
343526
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
343526

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11NO2S2

>  <Molecular Weight (nearest integer)>
265

$$$$
362093
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
362093

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
87100-99-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11ClN2O2

>  <Molecular Weight (nearest integer)>
275

$$$$
369066
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    2.0490    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    3.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2382    2.0070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    5.8606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7054    1.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6563    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9063    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9063    5.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1563    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1564    2.0490    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.6564    2.0490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.4064    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
>  <NSC>
369066

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H7N5O3

>  <Molecular Weight (nearest integer)>
269

$$$$
204939
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2745   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4707  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
204939

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H17NO3

>  <Molecular Weight (nearest integer)>
295

$$$$
237530
  CML DOM 09261310112D

 21 21  0  0  0  0  0  0  0  0999 V2000
    8.8188   -2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -4.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -4.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -0.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
237530

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H22O5

>  <Molecular Weight (nearest integer)>
294

>  <dtpname:Chemical Name>
PHACIDIN

>  <dtpname:Chemical Name>
Phacidin

$$$$
276736
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.0490    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9039    4.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1539    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
276736

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65367-74-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15NO3

>  <Molecular Weight (nearest integer)>
281

$$$$
294625
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.6495    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    4.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495    5.5712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5394    4.2008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6413    5.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542    3.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9532    3.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    5.5711    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6005    6.8702    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6005    4.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    6.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495    8.1692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6450    6.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4974    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
294625

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51883-92-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N5O3

>  <Molecular Weight (nearest integer)>
287

$$$$
303304
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -6.1317    6.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1317    4.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5583    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0490    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4509    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 20  3  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
303304

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
36698-20-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N2

>  <Molecular Weight (nearest integer)>
258

$$$$
316458
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2383   -6.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8117   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -0.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3519   -9.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -8.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -7.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -3.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
316458

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13N5O3

>  <Molecular Weight (nearest integer)>
263

>  <dtpname:Chemical Name>
Neplanocin A

>  <dtpname:Chemical Name>
(-)-Neplanocin A

>  <dtpname:Chemical Name>
3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)- 3-(hydroxymethyl)-, [1S-(1.ALPHA.,2.ALPHA.,5.BETA.)]-

>  <dtpname:9th C.I.>
3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-

$$$$
326921
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.1495   -8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995   -6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3995   -4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
326921

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2S2

>  <Molecular Weight (nearest integer)>
274

$$$$
343557
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
343557

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34490-00-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10Cl2N2O

>  <Molecular Weight (nearest integer)>
281

$$$$
363801
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    5.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    7.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365    8.6718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9635    8.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    9.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    1.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    2.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    1.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
363801

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N3O

>  <Molecular Weight (nearest integer)>
253

$$$$
369070
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -8.7183   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -9.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -9.6495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230   -9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -2.2231   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
>  <NSC>
369070

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9N3O3S

>  <Molecular Weight (nearest integer)>
299

$$$$
252172
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.2721   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3750   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9241  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8212  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4193  -11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7183  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 19  2  0  0  0  0
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 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
252172

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18O2

>  <Molecular Weight (nearest integer)>
278

>  <dtpname:Chemical Name>
2-[(4-ETHOXYPHENYL)METHYLENE]-3,4-DIHYDRO-1(2H)-NAPHTHALENONE

$$$$
238929
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.3481    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2500    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   11.3083    2.7991    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8817    0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3083    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
238929

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6Cl2N2OS

>  <Molecular Weight (nearest integer)>
273

$$$$
283845
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
>  <NSC>
283845

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1939-53-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H11NO2

>  <Molecular Weight (nearest integer)>
273

$$$$
294747
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.1139    0.3741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
294747

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63237-95-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H17N3OS2

>  <Molecular Weight (nearest integer)>
271

$$$$
305329
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.4235    2.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
305329

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59548-37-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10N4O

>  <Molecular Weight (nearest integer)>
262

$$$$
318799
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
318799

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32659-31-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12ClN3O4

>  <Molecular Weight (nearest integer)>
262

>  <dtpname:Chemical Name>
2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-.beta.-D-arabinofuranosyl)-

$$$$
327444
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
327444

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H20N2S2

>  <Molecular Weight (nearest integer)>
268

$$$$
348970
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
348970

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18N6

>  <Molecular Weight (nearest integer)>
258

$$$$
364889
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
364889

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
75451-07-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H17NO4

>  <Molecular Weight (nearest integer)>
299

$$$$
370383
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
370383

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91296-23-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N4O4

>  <Molecular Weight (nearest integer)>
264

$$$$
280492
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
280492

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51486-13-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18N2O2S2

>  <Molecular Weight (nearest integer)>
298

$$$$
240029
  CML DOM 09261310112D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
240029

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
75624-18-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16N2O5

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
4-Pyrimidinecarboxylic acid, 2-(3-ethoxy-3-oxo-1-propenyl)-1,6-dihydro-5-methyl-6-oxo-, ethyl ester

$$$$
283856
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.0086    0.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7586   -0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
283856

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58913-50-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N2OS

>  <Molecular Weight (nearest integer)>
262

$$$$
296934
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
296934

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2451-62-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15N3O6

>  <Molecular Weight (nearest integer)>
297

>  <dtpname:Chemical Name>
TGT

>  <dtpname:Chemical Name>
XB 2615

>  <dtpname:Chemical Name>
Teroxirone

>  <dtpname:Chemical Name>
Triglycidylisocyanurate

>  <dtpname:Chemical Name>
Triglycidyl isocyanurate

>  <dtpname:Chemical Name>
Tri(epoxypropyl)isocyanurate

>  <dtpname:Chemical Name>
1,3,5-TRIGLYCIDYL ISOCYANURATE

>  <dtpname:Chemical Name>
1,3,5-Triglycidyl isocyanurate

>  <dtpname:Chemical Name>
Tris(epoxypropyl) isocyanurate

>  <dtpname:Chemical Name>
Tris(2-epoxypropyl) isocyanurate

>  <dtpname:Chemical Name>
1,3,5-Triglycidylisocyanuric acid

>  <dtpname:Chemical Name>
Tris(2,3-epoxypropyl) isocyanurate

>  <dtpname:Chemical Name>
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-, (.alpha.)-

>  <dtpname:9th C.I.>
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-

>  <dtpname:9th C.I.>
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-

>  <dtpname:8th C.I.>
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-

$$$$
305743
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -8.6907    5.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0806    4.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9623    2.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0642    4.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3522    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4541    2.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1301   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7282   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8311   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4292   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1301   -3.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1825    5.5439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1022    0.1339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0985   -0.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8850    1.1211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7282   -3.3707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3  5  1  0  0  0  0
  4 14  2  0  0  0  0
  4  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 15  2  0  0  0  0
  7 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
305743

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27199-40-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8ClN3O

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:Chemical Name>
RI-64

>  <dtpname:Chemical Name>
RJ-64

>  <dtpname:Chemical Name>
RJ 64

>  <dtpname:Chemical Name>
Udarnol

>  <dtpname:Chemical Name>
Pifexole

>  <dtpname:Chemical Name>
3-(4-Pyridyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole

>  <dtpname:Chemical Name>
4-[5-(o-Chlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine

>  <dtpname:Chemical Name>
1,2,4-Oxadiazole, 5-(2-chlorophenyl)-3-(4-pyridyl)-

>  <dtpname:9th C.I.>
Pyridine, 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-

>  <dtpname:8th C.I.>
Pyridine, 4-[5-(o-chlorophenyl)-1,2,4-oxadiazol-3-yl]-

$$$$
319029
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -6.3062    0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1742    1.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0199   -0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7559    1.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6015   -1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4696   -0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297   -0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024   -1.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568    0.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2566    0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3022   -1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9837    2.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0293   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5291   -0.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0692    0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689    0.6090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6969   -1.7521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971   -1.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4835    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2561    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
319029

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H24N2O2

>  <Molecular Weight (nearest integer)>
288

$$$$
328130
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.5583    4.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9477    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8679    6.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    3.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    6.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2959    4.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477    4.7527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0596    6.9695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445    8.0839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620    5.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514    7.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    5.4455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009    8.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5504    9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999   11.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7999   11.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    9.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009    8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
328130

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39263-82-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H19N3S

>  <Molecular Weight (nearest integer)>
261

$$$$
351674
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995    0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   -2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   -4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995   -4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495   -2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1495    2.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <NSC>
351674

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27531-45-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H18N2

>  <Molecular Weight (nearest integer)>
286

$$$$
366086
  CML DOM 09261310112D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -2.8191    1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534    0.7011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143    1.3487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260   -0.5501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -3.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068   -1.0841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3729   -2.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1388   -0.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319   -3.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373    1.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9662   -1.9350    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    0.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7715    3.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    1.1212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1763    2.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
366086

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91260-06-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7N3OS3

>  <Molecular Weight (nearest integer)>
269

>  <dtpname:Chemical Name>
4-Thiazolidinone, 3-(1,3,4-thiadiazol-2-yl)-2-(2-thienyl)-

$$$$
372769
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.3481    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  2  0  0  0  0
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 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 19  3  0  0  0  0
M  END
>  <NSC>
372769

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H9Cl2NO

>  <Molecular Weight (nearest integer)>
290

$$$$
331977
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.8647    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079    1.3601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319    3.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819    4.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319    5.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5819    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3319    3.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5819    4.4628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0819    4.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8319    3.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0820    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
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 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
331977

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62613-76-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O2

>  <Molecular Weight (nearest integer)>
254

$$$$
241621
  CML DOM 09261310112D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.1740    1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    0.1005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2231    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1740   -1.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9241   -2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9240    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4241   -2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1740   -1.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1741   -3.7966    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    2.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6740   -1.1985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
241621

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11BrN2O2S

>  <Molecular Weight (nearest integer)>
279

$$$$
285669
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.9914    1.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5316    3.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0442   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9259    0.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9259   -1.6428    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3524    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3524   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8391    2.7672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131    1.3814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4131   -2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9131    1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9131   -2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9738    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9738   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4871    2.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    1.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4623    2.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
285669

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59851-15-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N2O3S

>  <Molecular Weight (nearest integer)>
254

$$$$
299514
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.1495    2.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    5.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870    9.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    9.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406   10.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6005   11.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141   12.8592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505   14.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870   12.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505   14.2858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005    4.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
299514

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27146-16-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N4O2S

>  <Molecular Weight (nearest integer)>
288

$$$$
307703
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0688    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
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 12 14  2  0  0  0  0
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 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
307703

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24122-31-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9ClN2O

>  <Molecular Weight (nearest integer)>
257

$$$$
319079
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.9123    1.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123   -1.9701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2114    0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5104    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5104    2.5299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5104   -1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8094    0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085    1.0299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085   -1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085   -3.4701    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4075    0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4075   -1.2201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8094    3.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094    4.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
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 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
319079

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H17ClN2O3

>  <Molecular Weight (nearest integer)>
297

$$$$
330796
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.4599    4.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    2.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9308    3.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0037    0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4710    0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9345    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4345    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6845   -0.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    9.3162    3.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3246    0.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4393    1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8659    0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1778   -0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0631   -1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6365   -1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
 10 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  10   1  11  -1
M  END
>  <NSC>
330796

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69511-80-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13NO4

>  <Molecular Weight (nearest integer)>
283

$$$$
351691
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
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 11 12  1  0  0  0  0
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 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
351691

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H24N2O

>  <Molecular Weight (nearest integer)>
260

$$$$
366802
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0755    0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654   -1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9571   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6265   -0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3275   -1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7412   -1.7451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1311   -3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6393   -2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1311   -5.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311   -5.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2084   -1.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8966    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5203   -2.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6757   -1.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3811   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1311   -5.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6311   -5.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3811   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6311   -8.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1311   -8.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
366802

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H22N4O

>  <Molecular Weight (nearest integer)>
298

$$$$
374703
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6740    9.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   10.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    8.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5760   10.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8260    8.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    6.9976    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
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 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
374703

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
30758-41-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19O2P

>  <Molecular Weight (nearest integer)>
298

$$$$
228155
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.2941   -4.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8846   -4.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2645   -3.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -4.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5546   -2.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055   -1.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  CHG  4  13   1  15  -1  18   1  19  -1
M  END
>  <NSC>
228155

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H6N4O4S

>  <Molecular Weight (nearest integer)>
290

$$$$
374814
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.2500    5.9461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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  9 13  1  0  0  0  0
 11 15  1  0  0  0  0
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 15 18  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <NSC>
374814

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20N2O3

>  <Molecular Weight (nearest integer)>
276

$$$$
400938
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
400938

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7467-28-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N5O

>  <Molecular Weight (nearest integer)>
253

$$$$
637343
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
637343

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O

>  <Molecular Weight (nearest integer)>
276

$$$$
680515
  CML DOM 09261310112D

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M  END
>  <NSC>
680515

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15N3O

>  <Molecular Weight (nearest integer)>
265

>  <dtpname:Chemical Name>
7-(p-N,N-Dimethylaminophenylazo)benzofuran

>  <dtpname:9th C.I.>
Benzenamine,4-(7-benzofuranylazo)-N,N-dimethyl-

$$$$
9037
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
9037

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3569-82-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H12O6

>  <Molecular Weight (nearest integer)>
336

$$$$
13616
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
13616

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5431-62-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H29N3O

>  <Molecular Weight (nearest integer)>
327

>  <dtpname:Chemical Name>
2-N-Cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2- diamine

$$$$
25457
  CML DOM 09261310112D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
25457

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H16N2O

>  <Molecular Weight (nearest integer)>
348

$$$$
32673
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   -2.3236    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
32673

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6321-09-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22N2O2

>  <Molecular Weight (nearest integer)>
334

$$$$
35582
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6571    1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
35582

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6270-36-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10N2S4

>  <Molecular Weight (nearest integer)>
347

$$$$
39984
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
39984

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12ClNO3

>  <Molecular Weight (nearest integer)>
314

$$$$
375105
  CML DOM 09261310112D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
375105

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82983-03-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H15N3

>  <Molecular Weight (nearest integer)>
285

$$$$
403268
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
403268

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56661-83-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H7NO3S2

>  <Molecular Weight (nearest integer)>
265

$$$$
637827
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    7.2749    3.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <NSC>
637827

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16O2

>  <Molecular Weight (nearest integer)>
276

$$$$
1014
  CML DOM 09261310112D

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M  END
>  <NSC>
1014

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5335-98-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H19N3O

>  <Molecular Weight (nearest integer)>
341

>  <dtpname:Chemical Name>
7-[.ALPHA.-[(4-METHYL-2-PYRIDYL)AMINO]BENZYL]-8-QUINOLINOL

$$$$
11437
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
11437

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15934-77-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16ClNO2

>  <Molecular Weight (nearest integer)>
302

$$$$
14142
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
14142

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5429-45-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N5O3

>  <Molecular Weight (nearest integer)>
327

$$$$
26113
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
26113

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61355-19-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H8Cl4

>  <Molecular Weight (nearest integer)>
318

$$$$
32873
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
32873

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6266-19-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12AsNO6

>  <Molecular Weight (nearest integer)>
305

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-32873

$$$$
36525
  CML DOM 09261310112D

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M  END
>  <NSC>
36525

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H22N4O3

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:Chemical Name>
8-[(4-tert-butylphenoxy)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

$$$$
40269
  CML DOM 09261310112D

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M  END
>  <NSC>
40269

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6973-57-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H18N2O

>  <Molecular Weight (nearest integer)>
326

$$$$
378711
  CML DOM 09261310112D

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M  END
>  <NSC>
378711

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
86767-98-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H17ClN2O2

>  <Molecular Weight (nearest integer)>
281

$$$$
408734
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
408734

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2878-04-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H11N7O2

>  <Molecular Weight (nearest integer)>
273

$$$$
638636
  CML DOM 09261310112D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   6   1  10  -1
M  END
>  <NSC>
638636

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H16NO.I

>  <Molecular Weight (nearest integer)>
257

$$$$
3753
  CML DOM 09261310112D

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M  END
>  <NSC>
3753

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N2O3S

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:Chemical Name>
4-amino-6,7-dihydro-5H -cyclopenta[b]pyridin-2-yl-4-methylbenzenesulfonate

$$$$
12262
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
12262

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5424-71-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H22N2O3

>  <Molecular Weight (nearest integer)>
314

$$$$
14506
  CML DOM 09261310112D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
14506

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H33O4P

>  <Molecular Weight (nearest integer)>
332

$$$$
26349
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
>  <NSC>
26349

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H22O4

>  <Molecular Weight (nearest integer)>
302

$$$$
33353
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -13.7404   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3481   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 22  1  0  0  0  0
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 10 24  1  0  0  0  0
 12 14  2  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
33353

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16ClN3O

>  <Molecular Weight (nearest integer)>
338

$$$$
36693
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
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 24 26  2  0  0  0  0
M  END
>  <NSC>
36693

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
465-92-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O4

>  <Molecular Weight (nearest integer)>
332

>  <dtpname:Chemical Name>
MARRUBIN

>  <dtpname:Chemical Name>
Marrubin

>  <dtpname:Chemical Name>
Marrubiin

>  <dtpname:9th C.I.>
2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, [2aS-(2a.alpha.,5a.beta.,6.alpha.,7.alpha.,8a.alpha.,8b.alpha.)]-

>  <dtpname:8th C.I.>
8.beta.H-Labda-13(16),14-dien-19-oic acid, 15,16-epoxy-6.beta.,9-dihydroxy-, .gamma.-lactone

$$$$
41098
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2 12  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
41098

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6307-22-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14ClNO2

>  <Molecular Weight (nearest integer)>
312

$$$$
379468
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.6005    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <NSC>
379468

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11Cl2N3O

>  <Molecular Weight (nearest integer)>
296

$$$$
408860
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.0053    1.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
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M  CHG  2  19   1  20  -1
M  END
>  <NSC>
408860

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19336-84-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N2O5

>  <Molecular Weight (nearest integer)>
286

$$$$
641396
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
641396

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13NO3

>  <Molecular Weight (nearest integer)>
291

>  <dtpname:Chemical Name>
1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11- methyl-

$$$$
5476
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 18  2  1  1  0  0  0
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 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <NSC>
5476

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5455-90-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H26N2O2S

>  <Molecular Weight (nearest integer)>
334

$$$$
12544
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 15 17  2  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <NSC>
12544

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5409-91-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10ClNO3S

>  <Molecular Weight (nearest integer)>
320

$$$$
17128
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    1.2676   -7.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7726   -9.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435  -10.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7145  -11.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763  -10.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2472  -11.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1706   -7.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6341   -6.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078   -4.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5175   -3.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815   -2.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166   -2.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
 12  2  1  6  0  0  0
 13  3  1  1  0  0  0
 11  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  1  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  1  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <NSC>
17128

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
339-02-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H29FO3

>  <Molecular Weight (nearest integer)>
348

$$$$
26980
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0214   10.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214    8.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205    7.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195    8.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   10.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   10.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461    8.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    9.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461   10.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    9.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544   11.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278   11.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   12.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205    6.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    6.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059    5.7433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4367    4.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    3.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6534   10.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825    7.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8743    7.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9645   12.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9645    8.5914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   10.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776    7.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 24  1  1  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 23  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
26980

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50-07-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18N4O5

>  <Molecular Weight (nearest integer)>
334

>  <dtpname:USAN>
Mitomycin

>  <dtpname:INN:BAN>
Mitomycin C

>  <dtpname:Brand Name>
Mutamycin

>  <dtpname:Chemical Name>
7-Amino-9.alpha.-methoxymitosane

>  <dtpname:Chemical Name>
Ametycine

>  <dtpname:Chemical Name>
Mitomycinum

>  <dtpname:Chemical Name>
MMC

>  <dtpname:Chemical Name>
Mit-C

>  <dtpname:Chemical Name>
Mito-C

>  <dtpname:Chemical Name>
Ametycin

>  <dtpname:Chemical Name>
Mitocin-C

>  <dtpname:Chemical Name>
Mytomycin

>  <dtpname:Chemical Name>
NCI-C04706

>  <dtpname:Chemical Name>
MITOMYCIN

>  <dtpname:Chemical Name>
WLN: T D3 B556 BN EM JV MVTTT&J GO1 H1OVZ KZ L1

>  <dtpname:9th C.I.>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-

>  <dtpname:8th C.I.>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-5-methyl-, carbamate (ester)

>  <dtpname:VAN>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-5-methyl-, carbamate (ester)

$$$$
33478
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
33478

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6275-63-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H24N2O3

>  <Molecular Weight (nearest integer)>
328

$$$$
36758
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5957   -6.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2   7   1  20  -1
M  END
>  <NSC>
36758

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C15H16N3S+ in C15H15N3S.ClH

>  <Molecular Formula in DIS>
C15H15N3S.ClH

>  <Molecular Weight (nearest integer)>
306

$$$$
43088
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.2721    8.8995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   14.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9731   15.6495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5712   15.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
>  <NSC>
43088

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6317-77-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H13NO3S

>  <Molecular Weight (nearest integer)>
335

$$$$
379536
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.9462    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    7.2452    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.2452    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    5.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    7.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <NSC>
379536

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9ClF3N3O2

>  <Molecular Weight (nearest integer)>
296

$$$$
522131
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.2207   -0.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
522131

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10Cl2N2O2

>  <Molecular Weight (nearest integer)>
297

$$$$
643029
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.3163    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9144   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9144    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6202   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <NSC>
643029

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H20O2

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
p-Phenoxybenzylidenepinacolone

$$$$
6101
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
6101

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
84-61-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H26O4

>  <Molecular Weight (nearest integer)>
330

>  <dtpname:Chemical Name>
HF 191

>  <dtpname:Chemical Name>
KP 201

>  <dtpname:Chemical Name>
Unimoll 66

>  <dtpname:Chemical Name>
Ergoplast FDC

>  <dtpname:Chemical Name>
Dicyclohexyl phthalate

>  <dtpname:9th C.I.>
1,2-Benzenedicarboxylic acid, dicyclohexyl ester

>  <dtpname:8th C.I.>
Phthalic acid, dicyclohexyl ester

$$$$
12628
  CML DOM 09261310112D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -9.7125   -6.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2636   -7.1370    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5136   -5.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8754   -8.5859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   -2.2231   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
>  <NSC>
12628

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5410-42-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8AsNO8

>  <Molecular Weight (nearest integer)>
321

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-12628

$$$$
18883
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.0252   -5.1321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0252   -8.1321    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9223   -2.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6233   -3.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2214   -3.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2214   -5.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6233   -5.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9224   -5.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3243   -5.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9224   -7.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3243   -7.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1281   -5.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -5.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0252   -3.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 24  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
18883

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H24N2S

>  <Molecular Weight (nearest integer)>
349

$$$$
27305
  CML DOM 09261310112D

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M  END
>  <NSC>
27305

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5856-48-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16N4O4S

>  <Molecular Weight (nearest integer)>
324

$$$$
33570
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <NSC>
33570

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6275-21-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H23NO2

>  <Molecular Weight (nearest integer)>
321

$$$$
36923
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  6  0  0  0
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M  END
>  <NSC>
36923

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14124-60-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H31NO2

>  <Molecular Weight (nearest integer)>
317

$$$$
43271
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
43271

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6303-42-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10BrN5

>  <Molecular Weight (nearest integer)>
304

$$$$
379651
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
379651

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H11N3O2

>  <Molecular Weight (nearest integer)>
277

$$$$
524615
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
524615

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21395-09-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H22O4

>  <Molecular Weight (nearest integer)>
278

$$$$
645330
  CML DOM 09261310112D

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M  END
>  <NSC>
645330

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13NO2

>  <Molecular Weight (nearest integer)>
275

>  <dtpname:Chemical Name>
11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-

$$$$
6268
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
6268

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3789-74-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N4O2

>  <Molecular Weight (nearest integer)>
318

$$$$
12650
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
12650

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5425-66-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11AsN2O4

>  <Molecular Weight (nearest integer)>
322

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-12650

$$$$
24032
  CML DOM 09261310112D

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M  END
>  <NSC>
24032

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H18N2

>  <Molecular Weight (nearest integer)>
310

$$$$
28080
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
28080

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H20O4

>  <Molecular Weight (nearest integer)>
312

$$$$
33738
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057   -2.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548   -1.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7962   -2.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5357   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0943   -0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6848    0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
33738

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12Cl2N2O3

>  <Molecular Weight (nearest integer)>
339

$$$$
37168
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -8.1495    7.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    8.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    6.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    7.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    8.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1495    4.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    6.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    7.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    4.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    6.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3995    3.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3995    6.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1495    2.2231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495   -0.3750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1495   -0.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.3995   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 17  1  0  0  0  0
  9 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 20  1  0  0  0  0
 12 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
>  <NSC>
37168

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
135-65-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12N2O4

>  <Molecular Weight (nearest integer)>
308

>  <dtpname:Chemical Name>
Celcot RM

>  <dtpname:Chemical Name>
Azotol NMA

>  <dtpname:Chemical Name>
Diathol BS

>  <dtpname:Chemical Name>
Azotol MNA

>  <dtpname:Chemical Name>
C.I. 37515

>  <dtpname:Chemical Name>
Brenthol MN

>  <dtpname:Chemical Name>
Naftolo MBS

>  <dtpname:Chemical Name>
Naphtazol B

>  <dtpname:Chemical Name>
Azoground BS

>  <dtpname:Chemical Name>
Naphtoelan BS

>  <dtpname:Chemical Name>
Dragonthol BS

>  <dtpname:Chemical Name>
Naphtol AS-BS

>  <dtpname:Chemical Name>
Naphthanil BS

>  <dtpname:Chemical Name>
Naphthoide BS

>  <dtpname:Chemical Name>
Ultrazol IV-BS

>  <dtpname:Chemical Name>
Amarthol AS-BS

>  <dtpname:Chemical Name>
Azonaphtol MNA

>  <dtpname:Chemical Name>
Kambothol ASBS

>  <dtpname:Chemical Name>
Naphthol AS-BS

>  <dtpname:Chemical Name>
Solunaptol MNL

>  <dtpname:Chemical Name>
Tulathol AS-BS

>  <dtpname:Chemical Name>
Irganaphthol RM

>  <dtpname:Chemical Name>
Acna Naphthol M

>  <dtpname:Chemical Name>
Cibanaphthol RM

>  <dtpname:Chemical Name>
Naphtanilide BS

>  <dtpname:Chemical Name>
Daito Grounder BS

>  <dtpname:Chemical Name>
Hiltonaphthol AS-BS

>  <dtpname:Chemical Name>
Anthonaphthol AS-BS

>  <dtpname:Chemical Name>
Acco Naphthol AS-BS

>  <dtpname:Chemical Name>
Naphtol AS-BS Supra

>  <dtpname:Chemical Name>
Naptanilide BS Supra

>  <dtpname:Chemical Name>
Naphthol AS-BS Supra

>  <dtpname:Chemical Name>
Mitsui Naphthozol BS

>  <dtpname:Chemical Name>
Amanil Naphthol AS-BS

>  <dtpname:Chemical Name>
Naphthol AS-BS Dispersible

>  <dtpname:Chemical Name>
Azoic Coupling Component 17

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 17

>  <dtpname:9th C.I.>
2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-

>  <dtpname:8th C.I.>
2-Naphthanilide, 3-hydroxy-3'-nitro-

$$$$
43506
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.1226   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4216   -1.0245    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1716    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6716   -2.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6716   -7.5197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7207   -1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707   -3.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2207   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4216   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6716   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9216   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6716   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4216   -6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9216   -6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8187   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  2  4  1  0  0  0  0
  4 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
43506

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H20ClN2O2P

>  <Molecular Weight (nearest integer)>
315

$$$$
380279
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.0238    5.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4504    5.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6421    4.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    5.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6639    2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0238    3.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    3.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0905    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    3.1317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    5.5587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5603    1.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1421    4.3452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4504    3.5952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6639    1.2135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0905    3.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9722    1.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203    2.7135    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3236    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2771    1.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2240    1.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4  7  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 16  2  0  0  0  0
  8 14  1  0  0  0  0
  9 20  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
>  <NSC>
380279

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53052-56-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9N7O3S

>  <Molecular Weight (nearest integer)>
295

$$$$
525721
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.1692    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9807   -2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412   -4.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0921   -5.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507   -4.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4  8  2  0  0  0  0
  5 14  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
525721

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
362-03-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13NO2S

>  <Molecular Weight (nearest integer)>
271

>  <dtpname:9th C.I.>
10H-Phenothiazine-10-propanoic acid

>  <dtpname:8th C.I.>
Phenothiazine-10-propionic acid

$$$$
653004
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -7.8653    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2672    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2672   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8653   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1644    1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4634    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1643   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4634   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910   -2.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4454   -2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4096   -3.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8965   -5.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4193   -5.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4552   -4.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
653004

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H25NO3

>  <Molecular Weight (nearest integer)>
291

>  <dtpname:Chemical Name>
Cyclohexanol, 1-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquino linyl)-

$$$$
7436
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.1985    9.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1985   10.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976    8.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   11.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966    9.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   10.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    6.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986    3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9976    3.1740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    6.1740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9485    4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    7.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976    6.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   12.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976   12.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9976   12.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   14.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <NSC>
7436

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20N2O2S

>  <Molecular Weight (nearest integer)>
304

$$$$
13156
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3702    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202    8.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3702    9.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    9.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    4.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202   11.0957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
13156

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5433-92-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N4O2S

>  <Molecular Weight (nearest integer)>
314

>  <dtpname:Chemical Name>
4-Amino-N-(3-methylquinoxalin-2-yl)benzenesulfonamide

$$$$
24951
  CML DOM 09261310112D

 31 37  0  0  0  0  0  0  0  0999 V2000
    6.2489    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4192    3.2323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7948    3.1479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    1.8327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2724    7.8174    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8885    9.2674    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8498    5.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    2.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9553    4.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0352    7.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1593    8.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4284    5.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3638    4.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9959    7.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1170    5.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1528    6.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742    5.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    6.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    5.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0684    4.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153    5.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398    6.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1642    5.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153    3.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1642    3.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587    4.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398    2.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079    3.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3602    3.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3999    1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501    2.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  2  0  0  0  0
  2 20  1  0  0  0  0
  2 24  1  0  0  0  0
  2 31  1  0  0  0  0
 20  3  1  1  0  0  0
 28  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
 26  7  1  6  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 19  9  1  6  0  0  0
 16 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 17 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 26  1  0  0  0  0
 20 26  1  0  0  0  0
 21 24  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  2   5   1   6  -1
M  END
>  <NSC>
24951

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7248-28-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22N2O3

>  <Molecular Weight (nearest integer)>
350

>  <dtpname:Chemical Name>
Genostrychnine

>  <dtpname:Chemical Name>
N-Oxystrychnine

>  <dtpname:Chemical Name>
Strychnine N-oxide

>  <dtpname:Chemical Name>
Strychnine, N-oxide

>  <dtpname:Chemical Name>
Strychnine N6-oxide

>  <dtpname:Chemical Name>
STRYCHNINE, N-OXIDE

>  <dtpname:Chemical Name>
Strychnine, Nb-oxide

>  <dtpname:Chemical Name>
ALKALOIDS, SOLID, N.O.S.

>  <dtpname:9th C.I.>
Strychnidin-10-one, 19-oxide

>  <dtpname:8th C.I.>
Strychnine, 19-oxide

$$$$
30205
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.2231    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 16  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
30205

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H18N2O

>  <Molecular Weight (nearest integer)>
314

$$$$
34219
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.2231    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458    8.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458    6.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7275    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
34219

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H21ClO4

>  <Molecular Weight (nearest integer)>
313

$$$$
37187
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.6226   -1.2255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
37187

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
135-63-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14ClNO2

>  <Molecular Weight (nearest integer)>
312

>  <dtpname:Chemical Name>
C.I. 37526

>  <dtpname:Chemical Name>
Naphtazol C

>  <dtpname:Chemical Name>
Naphtol AS-KB

>  <dtpname:Chemical Name>
Naphthol AS-KB

>  <dtpname:Chemical Name>
Naphthanilid KB

>  <dtpname:Chemical Name>
Naphtanilide KB

>  <dtpname:Chemical Name>
Acco Naf-Sol AS-KB

>  <dtpname:Chemical Name>
Acco Naphthol AS-KB

>  <dtpname:Chemical Name>
Hiltonaphthol AS-KB

>  <dtpname:Chemical Name>
Amanil Naphthol AS-KB

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 21

>  <dtpname:9th C.I.>
2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-

>  <dtpname:8th C.I.>
2-Naphtho-o-toluidide, 5'-chloro-3-hydroxy-

$$$$
43998
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.8211   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1202  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -11.1495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.7183  -10.3995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.4192  -12.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  1  2  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  2  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
>  <NSC>
43998

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6311-06-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N4O2

>  <Molecular Weight (nearest integer)>
318

$$$$
400770
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.2721    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6644    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6644    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    5.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 11  2  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
400770

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5623-46-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14O2

>  <Molecular Weight (nearest integer)>
274

$$$$
636718
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.8433    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
636718

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16O2

>  <Molecular Weight (nearest integer)>
264

$$$$
661221
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.4713    3.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693    3.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693    4.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    4.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4959    2.8233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    4.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4959    5.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8694    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    5.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5978    6.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7511    2.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1409    1.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2428    3.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8529    4.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9713    5.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5814    7.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9594    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
661221

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13NO2

>  <Molecular Weight (nearest integer)>
275

>  <dtpname:Chemical Name>
1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-

$$$$
7578
  CML DOM 09261310112D

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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
7578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81-79-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H13NO4

>  <Molecular Weight (nearest integer)>
343

>  <dtpname:Chemical Name>
Red Violet 2RN Acid Anthraquinone

>  <dtpname:Chemical Name>
1-Anilino-9,10-dihydro-9,10-dioxo-2-anthroic acid

>  <dtpname:9th C.I.>
2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo-1-(phenylamino)-

>  <dtpname:8th C.I.>
2-Anthroic acid, 1-anilino-9,10-dihydro-9,10-dioxo-

$$$$
13176
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.8416    3.9119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3626    6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5116    5.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    6.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926    4.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    4.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3187   -0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9216   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
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 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  3  0  0  0  0
M  END
>  <NSC>
13176

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5424-11-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26N2

>  <Molecular Weight (nearest integer)>
318

$$$$
25435
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1791    4.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    2.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865    8.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    6.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637    8.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377    5.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279    7.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    6.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1074    4.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0358    6.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6660    3.5149    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 15 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
25435

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3049-24-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15O3P

>  <Molecular Weight (nearest integer)>
310

$$$$
30260
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.1976    5.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9476    3.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1976    2.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6976    2.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9476    3.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6976    5.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4803    3.4673    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0245   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
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 11 12  2  0  0  0  0
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 12 13  1  0  0  0  0
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 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
30260

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N3O3S2

>  <Molecular Weight (nearest integer)>
349

>  <dtpname:Chemical Name>
4-Amino-N-(5-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide

$$$$
35545
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0744    0.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8844   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
35545

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
847-86-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H23NO3

>  <Molecular Weight (nearest integer)>
301

>  <dtpname:Chemical Name>
Dihydrothebainone

>  <dtpname:Chemical Name>
THEBAINONE, DIHYDRO-

>  <dtpname:Chemical Name>
Thebainone, dihydro-

>  <dtpname:Chemical Name>
(-)-Dihydrothebainone

>  <dtpname:Chemical Name>
Thebainone, dihydro-*

>  <dtpname:9th C.I.>
Morphinan-6-one, 4-hydroxy-3-methoxy-17-methyl-

$$$$
38090
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  21   1  22  -1
M  END
>  <NSC>
38090

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6339-64-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11N3O5S

>  <Molecular Weight (nearest integer)>
333

$$$$
44584
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  18   1  19  -1
M  END
>  <NSC>
44584

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91495-43-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N8O2S

>  <Molecular Weight (nearest integer)>
334

$$$$
44750
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   -4.4230   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
44750

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H8N2O6

>  <Molecular Weight (nearest integer)>
312

$$$$
50648
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0  0  0  0
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 21 22  1  0  0  0  0
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M  CHG  2  21   1  22  -1
M  END
>  <NSC>
50648

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71835-65-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12N2O4

>  <Molecular Weight (nearest integer)>
308

$$$$
60183
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <NSC>
60183

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6940-73-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N2O4S

>  <Molecular Weight (nearest integer)>
310

$$$$
65689
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
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   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
65689

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
476-70-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H21NO4

>  <Molecular Weight (nearest integer)>
327

>  <dtpname:Chemical Name>
Boldin

>  <dtpname:Chemical Name>
BOLDINE

>  <dtpname:Chemical Name>
Boldine

>  <dtpname:Chemical Name>
Uniboldina

>  <dtpname:Chemical Name>
(S)-Boldine

>  <dtpname:Chemical Name>
(+)-(S)-Boldine

>  <dtpname:9th C.I.>
4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-

>  <dtpname:8th C.I.>
6a.alpha.-Aporphine-2,9-diol, 1,10-dimethoxy-

$$$$
73254
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   -6.8773   -7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8648  -11.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1148   -9.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9546   -6.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9583   -7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.8891   -5.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8854   -4.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4181   -4.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4076   -3.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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  3  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
73254

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53-89-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H25N3O

>  <Molecular Weight (nearest integer)>
347

>  <dtpname:Chemical Name>
PPBP

>  <dtpname:Chemical Name>
Telon

>  <dtpname:Chemical Name>
KB 95

>  <dtpname:Chemical Name>
Reubenil

>  <dtpname:Chemical Name>
Reublonil

>  <dtpname:Chemical Name>
Benzometan

>  <dtpname:Chemical Name>
Benzpiperylon

>  <dtpname:Chemical Name>
Benzpiperylone

>  <dtpname:Chemical Name>
Benzpiperilone

>  <dtpname:9th C.I.>
3H-Pyrazol-3-one, 1,2-dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)-

>  <dtpname:8th C.I.>
3-Pyrazolin-5-one, 4-benzyl-1-(1-methyl-4-piperidyl)-3-phenyl-

$$$$
86467
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7705  -13.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516   -8.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -6.3044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7755   -7.2623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083   -2.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7718   -3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1984   -4.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901   -4.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3983   -5.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -6.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1984   -5.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  1 26  1  0  0  0  0
 13  2  1  6  0  0  0
 14  3  1  1  0  0  0
 12  4  1  6  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  1  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <NSC>
86467

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1428-66-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24O4

>  <Molecular Weight (nearest integer)>
328

$$$$
92892
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.8235  -11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -11.5245    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8235  -11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -13.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
92892

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12AsNO5

>  <Molecular Weight (nearest integer)>
337

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-92892

$$$$
99657
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -5.7262   -1.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4568    0.6079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873    2.8747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284   -1.6249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385    1.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0063    2.5566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4067   -1.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9198   -0.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676    1.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5379    0.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7995    1.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9611    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4174   -0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590   -0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4371   -0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7655    1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1087   -3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  2  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  5  6  1  0  0  0  0
  7 17  2  0  0  0  0
  7 12  1  0  0  0  0
  8 17  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
99657

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6559-86-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19N5OS2

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
Theophylline, 8-[(2-pyrrolidinoethyl)thio]-6-thio-

>  <dtpname:Chemical Name>
6-Thio-[8-(.beta.-N-pyrrolidinoethyl)thio]theophylline

>  <dtpname:Chemical Name>
Uric acid, 1,3-dimethyl-8-[(2-pyrrolidinoethyl)thio]-6-thio-

>  <dtpname:8th C.I.>
Theophylline, 8-[[2-(1-pyrrolidinyl)ethyl]thio]-6-thio-

$$$$
636734
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  CHG  2  19   1  20  -1
M  END
>  <NSC>
636734

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13NO3

>  <Molecular Weight (nearest integer)>
279

$$$$
680516
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3235    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
680516

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N4

>  <Molecular Weight (nearest integer)>
290

$$$$
45527
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0491   -5.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -6.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -7.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -8.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -8.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472   -9.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1471   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -6.5490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -8.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -9.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -9.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <NSC>
45527

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6300-10-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N4O2S

>  <Molecular Weight (nearest integer)>
304

$$$$
50651
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7383    5.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018    4.0629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7217   -3.1506    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9274    4.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284    3.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2264    3.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2265    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9274    1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283    2.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3201    2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    1.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1236   -0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4226   -0.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8245   -0.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4226   -2.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8246   -2.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1236   -3.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5255    4.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5255    1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8245    2.0994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5255   -0.1506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
50651

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
132-61-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H13ClN2O2

>  <Molecular Weight (nearest integer)>
337

>  <dtpname:Chemical Name>
C.I. 37600

>  <dtpname:Chemical Name>
Naphtol AS-LB

>  <dtpname:Chemical Name>
Naphtoelan LB

>  <dtpname:Chemical Name>
Naphthoide LB

>  <dtpname:Chemical Name>
Naphthol AS-LB

>  <dtpname:Chemical Name>
Tulathol AS LB

>  <dtpname:Chemical Name>
Solunaptol BTL

>  <dtpname:Chemical Name>
Amarthol AS LB

>  <dtpname:Chemical Name>
Naphtanilide LB

>  <dtpname:Chemical Name>
Naphtol AS-LBLL

>  <dtpname:Chemical Name>
Amanil Naphthol AS-LB

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 15

>  <dtpname:Chemical Name>
2-Hydroxycarbazole-3-carboxylic acidp-chloroanilide

>  <dtpname:9th C.I.>
9H-Carbazole-3-carboxamide, N-(4-chlorophenyl)-2-hydroxy-

>  <dtpname:8th C.I.>
Carbazole-3-carboxanilide, 4'-chloro-2-hydroxy-

$$$$
60423
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
  -12.9195   -0.3672    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7009   -4.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500   -3.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2914   -4.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0309   -2.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5895   -2.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1800   -1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9614   -6.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3709   -6.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8123   -7.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
60423

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6940-93-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17ClN2O3

>  <Molecular Weight (nearest integer)>
321

$$$$
66695
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2452    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2  3  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  6 19  2  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8  9  1  0  0  0  0
 10 21  2  0  0  0  0
 11 12  1  0  0  0  0
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 12 16  1  0  0  0  0
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 18 20  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
66695

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6964-59-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10BrN3O4

>  <Molecular Weight (nearest integer)>
340

$$$$
76988
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -4.8211   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 21  1  0  0  0  0
M  END
>  <NSC>
76988

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
577-26-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10O7

>  <Molecular Weight (nearest integer)>
302

$$$$
87010
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.6740    1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0663   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3654   -2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4683    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
87010

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H16ClN3O

>  <Molecular Weight (nearest integer)>
302

$$$$
93033
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.5711   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9730   11.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   13.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711   14.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9730   15.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9730   14.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
93033

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4116-42-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N3O6

>  <Molecular Weight (nearest integer)>
305

$$$$
99660
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -9.7300   -7.9837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4309   -5.7337    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0290  -10.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3236   -8.7337    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
99660

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6559-89-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H21N5OS2

>  <Molecular Weight (nearest integer)>
339

>  <dtpname:Chemical Name>
8-[(1-Ethylpiperidin-3-yl)sulfanyl]-1,3-dimethyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one

$$$$
30622
  CML DOM 09261310112D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.4224   -2.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -8.0241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107   -4.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2596   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2595   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  6  1  6  0  0  0
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  9 13  2  0  0  0  0
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 10 12  1  0  0  0  0
 10 25  2  0  0  0  0
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 21 23  1  0  0  0  0
M  END
>  <NSC>
30622

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
480-81-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H23NO5

>  <Molecular Weight (nearest integer)>
333

>  <dtpname:Chemical Name>
Jacodine

>  <dtpname:Chemical Name>
NSC 30622

>  <dtpname:Chemical Name>
Seneciphyllin

>  <dtpname:Chemical Name>
SENECIPHYLLINE

>  <dtpname:Chemical Name>
Pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene(1,6)dioxacyclododecino[2,3,4-gh]-

>  <dtpname:9th C.I.>
Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-

>  <dtpname:8th C.I.>
Seneciphylline

$$$$
3064
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -7.5197    0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 16  2  0  0  0  0
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  5  6  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 15 16  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
3064

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6266-58-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H16N4O4

>  <Molecular Weight (nearest integer)>
328

>  <dtpname:Chemical Name>
X 14

>  <dtpname:Chemical Name>
U 2112

>  <dtpname:Chemical Name>
NSC 3064

>  <dtpname:Chemical Name>
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine

>  <dtpname:Chemical Name>
7,8-Dimethyl-10-(2-acetoxyethyl)isoalloxazine

>  <dtpname:Chemical Name>
10-(2-Acetoxyethyl)-7,8-dimethylisoalloxazine

>  <dtpname:Chemical Name>
7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine

>  <dtpname:Chemical Name>
Isoalloxazine, 10-(2-hydroxyethyl)-7,8-dimethyl-, acetate

>  <dtpname:Chemical Name>
WLN: T C666 BN DNVMV INJ B2OV1 L1 M1

>  <dtpname:9th C.I.>
Benzo[g]pteridine-2,4(1H,3H)-dione, 10-[2-(acetyloxy)ethyl]-7,8-dimethyl-

>  <dtpname:8th C.I.>
Isoalloxazine, 10-(2-hydroxyethyl)-7,8-dimethyl-, acetate (ester)

$$$$
45545
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.0675   -2.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -1.5630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    0.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    3.1620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9646    3.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -3.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -2.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9646   -4.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9646   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2636   -3.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9646   -0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2636   -2.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    6.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9646    5.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9646    8.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2636    7.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9646    9.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   10.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2636   10.6620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
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  4 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
45545

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6300-17-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12N4O3

>  <Molecular Weight (nearest integer)>
308

$$$$
50690
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9659   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678  -10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9659  -10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697  -10.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
50690

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4711-68-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17NO3

>  <Molecular Weight (nearest integer)>
307

>  <dtpname:Chemical Name>
C.I. 37559

>  <dtpname:Chemical Name>
Naphthol AS-VL

>  <dtpname:Chemical Name>
Cibanaphthol RPH

>  <dtpname:Chemical Name>
Azoic coupling component 46

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 30

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 46

>  <dtpname:Chemical Name>
3-Hydroxy-2-naphtho-p-phenetidide

>  <dtpname:9th C.I.>
2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy-

>  <dtpname:8th C.I.>
2-Naphtho-p-phenetidide, 3-hydroxy-

$$$$
60659
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3481   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1  6  1  0  0  0  0
  2  9  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
60659

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6627-38-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H16N4

>  <Molecular Weight (nearest integer)>
312

$$$$
68116
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.3481    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    3.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849    4.8991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0230    6.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100    7.9786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.9318    5.5272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4546    5.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 12  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
68116

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
88584-09-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H21Cl2N2O2P

>  <Molecular Weight (nearest integer)>
315

$$$$
79486
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
79486

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65266-47-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H28N2O2

>  <Molecular Weight (nearest integer)>
340

$$$$
87084
  CML DOM 09261310112D

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M  END
>  <NSC>
87084

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H17NO4S

>  <Molecular Weight (nearest integer)>
331

$$$$
95204
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
95204

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13259-52-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H19N4O3PS

>  <Molecular Weight (nearest integer)>
306

$$$$
637359
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
637359

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H10N2O

>  <Molecular Weight (nearest integer)>
258

$$$$
689002
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
689002

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51762-93-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9NO4S

>  <Molecular Weight (nearest integer)>
287

>  <dtpname:Chemical Name>
9-Oxo-9H-thioxanthene-3-carboxamide10,10-dioxide

$$$$
19123
  CML DOM 09261310112D

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M  CHG  2  18   1  19  -1
M  END
>  <NSC>
19123

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5444-57-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9ClN6O2

>  <Molecular Weight (nearest integer)>
305

$$$$
46213
  CML DOM 09261310112D

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M  END
>  <NSC>
46213

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6341-38-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H24N2O2

>  <Molecular Weight (nearest integer)>
312

$$$$
51683
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
51683

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6943-27-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H18ClN3O

>  <Molecular Weight (nearest integer)>
316

>  <dtpname:Chemical Name>
N-(4-Chlorophenyl)-6-methoxy-3,4-dihydroquinoline-1(2H)-carboximidamide

$$$$
61642
  CML DOM 09261310112D

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M  END
>  <NSC>
61642

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N8

>  <Molecular Weight (nearest integer)>
344

$$$$
69359
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
69359

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3532-43-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14N2O2

>  <Molecular Weight (nearest integer)>
302

$$$$
79559
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
79559

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
535-03-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O3

>  <Molecular Weight (nearest integer)>
308

$$$$
87136
  CML DOM 09261310112D

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   10.1178  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9216   -2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0  0  0  0
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  2 23  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
87136

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66307-43-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H24N2O2

>  <Molecular Weight (nearest integer)>
312

>  <dtpname:Chemical Name>
.alpha.-Phenoxymethyl-4-phenyl-1-piperazineethanol

>  <dtpname:Chemical Name>
1-Piperazineethanol, .alpha.-phenoxymethyl-4-phenyl-

>  <dtpname:9th C.I.>
1-Piperazineethanol, .alpha.-(phenoxymethyl)-4-phenyl-

$$$$
95916
  CML DOM 09261310112D

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    2.0490    6.6961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    8.9461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0737    7.1597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0737    4.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  CHG  2  24   1  25  -1
M  END
>  <NSC>
95916

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N5O4

>  <Molecular Weight (nearest integer)>
343

$$$$
16722
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7673    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.3654    3.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4683   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  6  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
16722

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5463-22-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14O6

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:Chemical Name>
Vanillil

$$$$
11307
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7054    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4554    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4554    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7054    5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
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  3  9  1  0  0  0  0
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  8  9  2  0  0  0  0
 10 12  2  0  0  0  0
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 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
11307

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5415-84-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H18N4O3

>  <Molecular Weight (nearest integer)>
314

$$$$
25673
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -8.7703   -8.9296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1723   -4.4296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
25673

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6332-48-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12Cl2N2O2

>  <Molecular Weight (nearest integer)>
347

$$$$
46492
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    0.7500  -15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -9.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6471   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
>  <NSC>
46492

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6343-35-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19N3O3

>  <Molecular Weight (nearest integer)>
313

$$$$
53874
  CML DOM 09261310112D

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.0863   10.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853   11.4752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9834   12.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    5.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0839    6.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843   13.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853   12.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7848    7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    6.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9834   11.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843   10.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0839    5.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7848    4.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3829    7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    6.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9810    7.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    5.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3829    9.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    9.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819   11.3012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9810    9.0512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
53874

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6625-03-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11Cl2NO3.C4H9NO

>  <Molecular Weight (nearest integer)>
327

$$$$
62375
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.6740    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   10.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   12.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
62375

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6972-90-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H30N4O2

>  <Molecular Weight (nearest integer)>
310

$$$$
70413
  CML DOM 09261310112D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.5055   -1.9919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474    1.7880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1194   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474    0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8664    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894    0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7044    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0635   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7044   -1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8674   -1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075   -1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445   -1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    2.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595   -1.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9894    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2705    2.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    0.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  6  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2 23  1  0  0  0  0
  3 16  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  1  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 15  1  1  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
70413

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
465-65-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H21NO4

>  <Molecular Weight (nearest integer)>
327

>  <dtpname:Chemical Name>
Narcon

>  <dtpname:Chemical Name>
Narcan

>  <dtpname:Chemical Name>
Nalone

>  <dtpname:Chemical Name>
Naloxone

>  <dtpname:Chemical Name>
l-Naloxone

>  <dtpname:Chemical Name>
EN 1530 base

>  <dtpname:Chemical Name>
(-)-Naloxone

>  <dtpname:Chemical Name>
n-Allylnoroxymorphone

>  <dtpname:Chemical Name>
Normorphinone, N-allyl-dihydro-14-hydroxy-

>  <dtpname:Chemical Name>
Morphinan-6-one, 4,5.alpha.-epoxy-3,14-dihydroxy-17-(2-propenyl)-

>  <dtpname:Chemical Name>
4aH-8,9c-Iminoethanophenanthro[4,5-bcd]furan-5(6H)-one, N-allyl-7,7a,8,9-tetrahydro-3,7a-dihydroxy-

>  <dtpname:9th C.I.>
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5.alpha.)-

>  <dtpname:8th C.I.>
Morphinan-6-one, 17-allyl-4,5.alpha.-epoxy-3,14-dihydroxy-

$$$$
81493
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4554    6.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9554    6.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5372    6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  2  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 17  2  0  0  0  0
  7 11  1  0  0  0  0
  8 16  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
81493

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N5O2S

>  <Molecular Weight (nearest integer)>
303

$$$$
87838
  CML DOM 09261310112D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.8702    1.3996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    3.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663   -0.1004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -3.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -4.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -5.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -3.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -4.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654    2.1496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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  7  8  1  0  0  0  0
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 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <NSC>
87838

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22N2O2

>  <Molecular Weight (nearest integer)>
346

$$$$
96541
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -3.5221   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 23  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  3  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
96541

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26455-95-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H14N2O

>  <Molecular Weight (nearest integer)>
310

>  <dtpname:Chemical Name>
1-Benzoyl-1,2-dihydrobenzo[f]quinaldonitrile

>  <dtpname:9th C.I.>
Benzo[f]quinoline-3-carbonitrile, 4-benzoyl-3,4-dihydro-

>  <dtpname:8th C.I.>
Benzo[f]quinoline-3-carbonitrile, 4-benzoyl-3,4-dihydro-

$$$$
26112
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.3881    0.9381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    0.9381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3966   -2.1656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1163   -2.1656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9700   -1.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5064   -0.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7564   -2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5429   -1.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4574   -6.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4574   -4.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1584   -4.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4397   -7.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <NSC>
26112

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8Cl4

>  <Molecular Weight (nearest integer)>
306

$$$$
22070
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9192    4.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    6.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4682    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    8.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1692    9.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663    6.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    4.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0663    8.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5709    4.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3653    9.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3209    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6644   11.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663   11.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
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  5  7  1  0  0  0  0
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  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 11 15  1  0  0  0  0
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 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
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 20 22  2  0  0  0  0
  3  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
22070

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28272-18-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H22O5

>  <Molecular Weight (nearest integer)>
306

>  <dtpname:Chemical Name>
Chrysanthin

>  <dtpname:Chemical Name>
PYRETHROSIN

>  <dtpname:Chemical Name>
Pyrethrosin

>  <dtpname:Chemical Name>
Germacra-4,11(13)-dien-12-oic acid, 1.beta.,10-epoxy-6.alpha.,8.alpha.-dihydroxy-, 12,8-lactone, acetate, (E)-

>  <dtpname:9th C.I.>
Oxireno[8,9]cyclodeca[1,2-b]furan-8(2H)-one, 6-(acetyloxy)-1a,3,6,6a,7,9a,10,10a-octahydro-4,10a-dimethyl-7-methylene-, [1aR-(1aR*,4E,6R*,6aR*,9aS*,10aR*)]-

>  <dtpname:8th C.I.>
Germacra-4,11(13)-dien-12-oic acid, 1.alpha.,10.alpha.-epoxy-6,8.beta.-dihydroxy-, 12,8-lactone, acetate

$$$$
33575
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.8065   -5.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3019   -6.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5155   -3.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6723   -5.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0482   -3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9713   -6.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8684   -5.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1674   -6.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5694   -6.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2703   -5.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1675   -7.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5694   -7.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8684   -8.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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 12 16  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
33575

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65406-87-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H23NO2

>  <Molecular Weight (nearest integer)>
345

$$$$
48388
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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   -6.9554   -2.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 21  2  0  0  0  0
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 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <NSC>
48388

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91368-20-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N8S2

>  <Molecular Weight (nearest integer)>
330

>  <dtpname:Chemical Name>
SRI 1370

>  <dtpname:Chemical Name>
Purine-6(1H)-thione, 1-[2-(purin-6-ylthio)ethyl]-

>  <dtpname:Chemical Name>
Purine-6(1H)-thione, 1-(2-(purin-6-ylthio)ethyl)-, hydrate

>  <dtpname:Chemical Name>
6H-Purine-6-thione, 1,7-dihydro-1-[2-(1H-purin-6-ylthio)ethyl]-

$$$$
55152
  CML DOM 09261310112D

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 22 26  1  0  0  0  0
M  END
>  <NSC>
55152

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34066-75-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H18N4O2

>  <Molecular Weight (nearest integer)>
346

$$$$
63543
  CML DOM 09261310112D

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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <NSC>
63543

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4368-11-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H26O3

>  <Molecular Weight (nearest integer)>
326

>  <dtpname:9th C.I.>
Pregna-1,4-diene-3,11,20-trione

>  <dtpname:8th C.I.>
Pregna-1,4-diene-3,11,20-trione

$$$$
71097
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
71097

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7209-75-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12ClNO2

>  <Molecular Weight (nearest integer)>
310

$$$$
81750
  CML DOM 09261310112D

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M  END
>  <NSC>
81750

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7000-61-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N5O4

>  <Molecular Weight (nearest integer)>
329

$$$$
90749
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
90749

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60045-59-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17N3O2S

>  <Molecular Weight (nearest integer)>
303

$$$$
96996
  CML DOM 09261310112D

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    6.8702   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
M  END
>  <NSC>
96996

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1897-89-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H17N3O

>  <Molecular Weight (nearest integer)>
339

>  <dtpname:Chemical Name>
B 169

>  <dtpname:Chemical Name>
Piriqualone

>  <dtpname:Chemical Name>
2-[2-(2-Pyridyl)vinyl]-3-o-tolyl-4(3H)-quinazolinone

>  <dtpname:9th C.I.>
4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-[2-(2-pyridinyl)ethenyl]-

>  <dtpname:8th C.I.>
4(3H)-Quinazolinone, 2-[2-(2-pyridyl)vinyl]-3-o-tolyl-

$$$$
34865
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -4.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4216   -3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1226   -5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  14   1  15  -1
M  END
>  <NSC>
34865

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7400-63-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11AsN2O4

>  <Molecular Weight (nearest integer)>
322

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-34865

$$$$
70895
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.9731   -3.6495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.6785   -2.1495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
70895

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15Cl2N5O

>  <Molecular Weight (nearest integer)>
316

$$$$
80313
  CML DOM 09261310112D

 25 29  0  0  0  0  0  0  0  0999 V2000
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    0.1294  -11.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5140   -4.8941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <NSC>
80313

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H11N3O2

>  <Molecular Weight (nearest integer)>
325

$$$$
48443
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <NSC>
48443

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6641-18-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H32N2O2

>  <Molecular Weight (nearest integer)>
332

$$$$
56410
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    1.1709    4.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0324    4.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6344    3.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8188    3.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1016    2.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6307    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4458    8.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    9.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758   10.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5324    6.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4627    5.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  0  0  0  0
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  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
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  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
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 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
56410

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
801-52-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20N4O5

>  <Molecular Weight (nearest integer)>
348

>  <dtpname:USAN>
Porfiromycin

>  <dtpname:Chemical Name>
ENT-50825

>  <dtpname:Chemical Name>
PORFIROMYCIN

>  <dtpname:Chemical Name>
Porfiromycine

>  <dtpname:Chemical Name>
Porphyromycin

>  <dtpname:Chemical Name>
Methylmitomycin

>  <dtpname:Chemical Name>
Methyl mitomycin C

>  <dtpname:Chemical Name>
N-Methylmitomycin C

>  <dtpname:Chemical Name>
Mitomycin C, N-methyl-

>  <dtpname:Chemical Name>
WLN: T D3 B556 BN EN JV MVTTT&J E1 GO1 H1OVZ KZ L1

>  <dtpname:9th C.I.>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-1,5-dimethyl-,[1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-

>  <dtpname:8th C.I.>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-1,5-dimethyl-, carbamate (ester)

$$$$
64672
  CML DOM 09261310112D

 27 29  0  0  0  0  0  0  0  0999 V2000
  -12.1049  -10.9683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8059   -8.7183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5068   -6.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5068  -10.9683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7812  -10.6818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3177  -12.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5068   -7.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
64672

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N6O4

>  <Molecular Weight (nearest integer)>
344

$$$$
71866
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.5736    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   11.5245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  2  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
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  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <NSC>
71866

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91062-86-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9BrN6

>  <Molecular Weight (nearest integer)>
305

$$$$
82560
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -4.7770    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628    6.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    1.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2294    7.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0795    2.5813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8296    3.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488    3.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8154    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0676   -0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6313    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7663    1.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2436    5.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1911    6.9939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6194   -1.3416    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6387   -2.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544   -2.3223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
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  6 12  1  0  0  0  0
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  8  9  2  0  0  0  0
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 11 13  1  0  0  0  0
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 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
82560

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2877-68-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H11N7O3S

>  <Molecular Weight (nearest integer)>
309

$$$$
91378
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.0687    8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 25  1  0  0  0  0
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  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
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  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
91378

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66307-45-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H26N2O3

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:Chemical Name>
.alpha.-[m-(Methoxyphenoxy)methyl]-4-phenyl-1-piperazineethanol

>  <dtpname:Chemical Name>
1-Piperazineethanol, .alpha.-[m-(methoxyphenoxy)methyl]-4-phenyl-

>  <dtpname:9th C.I.>
1-Piperazineethanol, .alpha.-[(3-methoxyphenoxy)methyl]-4-phenyl-

$$$$
98363
  CML DOM 09261310112D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.2624    1.0668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    1.6484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239   -0.7701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007    0.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365   -0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8237   -1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2404   -1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3756   -2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6884   -0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9699    0.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3668    3.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8615    3.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
98363

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2631-93-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O4S3

>  <Molecular Weight (nearest integer)>
342

$$$$
47680
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
47680

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91961-85-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10Cl2N2OS

>  <Molecular Weight (nearest integer)>
301

$$$$
83961
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.6740    1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5804    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
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 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
83961

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
92103-06-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11ClN4O2

>  <Molecular Weight (nearest integer)>
303

$$$$
81856
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.7500   -9.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -12.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  CHG  2  19   1  20  -1
M  END
>  <NSC>
81856

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8Cl2N4O3

>  <Molecular Weight (nearest integer)>
327

$$$$
48617
  CML DOM 09261310112D

 26 30  0  0  0  0  0  0  0  0999 V2000
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    1.6276   -2.4748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
 14  2  1  1  0  0  0
 12  3  1  6  0  0  0
  4  7  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  1  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
M  END
>  <NSC>
48617

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5108-93-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28N2O

>  <Molecular Weight (nearest integer)>
312

$$$$
60013
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -3.5221   -2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9240   -2.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  2  0  0  0  0
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  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6 13  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <NSC>
60013

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6448-91-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H8Cl2N2O2

>  <Molecular Weight (nearest integer)>
307

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 2,6-diamino-1,5-dichloro-

>  <dtpname:8th C.I.>
Anthraquinone, 2,6-diamino-1,5-dichloro-

$$$$
64859
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -6.1248   -7.2311    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3614   -9.6581    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9046   -4.4904    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779   -9.3445    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -2.9071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229   -4.7972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907   -7.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6495   -4.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -5.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0229   -5.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6330   -7.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6495   -6.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7513   -8.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229   -6.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596   -8.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907   -3.9155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3610   -4.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8339   -2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
64859

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6968-50-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6Cl4N2O2

>  <Molecular Weight (nearest integer)>
328

$$$$
71881
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
  -13.7404   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9462   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  1 14  1  0  0  0  0
  2  9  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
71881

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
532-05-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14N4O

>  <Molecular Weight (nearest integer)>
314

>  <dtpname:Chemical Name>
Babesan

>  <dtpname:Chemical Name>
Bis(6-quinolyl)urea

>  <dtpname:Chemical Name>
1,3-Di-6-quinolylurea

>  <dtpname:Chemical Name>
N,N'-Diquinolyl-6-urea

>  <dtpname:Chemical Name>
sym.-Di-(6-quinolyl)urea

>  <dtpname:9th C.I.>
Urea, N,N'-di-6-quinolinyl-

>  <dtpname:8th C.I.>
Urea, 1,3-di-6-quinolyl-

$$$$
83497
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.5442    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
83497

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H22N2OS

>  <Molecular Weight (nearest integer)>
326

$$$$
91382
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.7697    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 24  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
91382

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H28N2O2

>  <Molecular Weight (nearest integer)>
340

$$$$
99634
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    0.3750    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1740    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   14.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
99634

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O5S

>  <Molecular Weight (nearest integer)>
322

$$$$
76015
  CML DOM 09261310112D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -6.5056   -0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5056   -3.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9076   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095   -3.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2066   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2066   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  3  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <NSC>
76015

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5006-58-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6Br3N

>  <Molecular Weight (nearest integer)>
344

$$$$
524385
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4554    3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7054    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4554    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
524385

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N4O2S

>  <Molecular Weight (nearest integer)>
268

$$$$
94600
  CML DOM 09261310112D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.6580   -1.1023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2653    0.3977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6388    1.4545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4691   -2.6565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1975   -5.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7571    0.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3672   -1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8590   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4855   -2.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9938   -2.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0957   -3.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5874   -3.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3837   -0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   -0.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3836    1.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6580    1.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590    1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    1.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609    1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590   -0.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609   -0.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -1.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6402   -4.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2003   -5.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5485   -5.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  1  0  0  0
 11 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
94600

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7689-03-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H16N2O4

>  <Molecular Weight (nearest integer)>
348

>  <dtpname:Chemical Name>
NSC 100880

>  <dtpname:Chemical Name>
CAMPTOTHECIN

>  <dtpname:Chemical Name>
CAMPTOTHECIN

>  <dtpname:Chemical Name>
CAMPTOTHECIN

>  <dtpname:Chemical Name>
Camptothecin

>  <dtpname:Chemical Name>
20(S)-Camptothecine

>  <dtpname:Chemical Name>
21,22-Secocamptothecin-21-oic acid lactone

>  <dtpname:9th C.I.>
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-

>  <dtpname:8th C.I.>
Camptothecine

$$$$
99663
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -7.6049   -8.3702    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3059   -6.1202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0068   -3.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0068   -8.3702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2812   -5.6567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8177   -4.2301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2812   -8.0837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -6.8702    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -9.4683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0068   -5.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7078   -6.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7078   -7.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495  -10.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995  -12.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005  -12.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505  -10.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -9.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3059   -7.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6049   -5.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0068   -9.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505   -8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  5  6  1  0  0  0  0
  7 18  2  0  0  0  0
  7 12  1  0  0  0  0
  8 18  1  0  0  0  0
  8 22  1  0  0  0  0
  9 17  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <NSC>
99663

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6466-14-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N5OS2

>  <Molecular Weight (nearest integer)>
319

>  <dtpname:Chemical Name>
8-[(2-Pyridylmethyl)thio]-2-thiotheophylline

>  <dtpname:8th C.I.>
Theophylline, 8-[(2-pyridylmethyl)thio]-2-thio-

$$$$
111194
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.5735   10.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   12.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   12.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   15.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9217   14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9217   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    4.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   10.7745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
111194

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19ClN2OS

>  <Molecular Weight (nearest integer)>
347

$$$$
123389
  CML DOM 09261310112D

 24 28  0  0  0  0  0  0  0  0999 V2000
    4.8212    5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7311   11.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8330    9.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229   11.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
123389

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H19NO4

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
Hydroberberubin

$$$$
143974
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.3858    3.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3493    1.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223    1.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4957    1.2049    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592   -0.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7339   -0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4348   -1.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0329   -1.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0329   -2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4348   -2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7339   -3.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8858    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
143974

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13070-33-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H25N6OP

>  <Molecular Weight (nearest integer)>
336

$$$$
151252
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
151252

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53581-38-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H9BrO2

>  <Molecular Weight (nearest integer)>
301

$$$$
164435
  CML DOM 09261310112D

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    3.3481  -15.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
164435

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16ClN3O

>  <Molecular Weight (nearest integer)>
338

$$$$
186200
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
186200

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3557-92-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H20N2O

>  <Molecular Weight (nearest integer)>
340

$$$$
205832
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
205832

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20ClNO4

>  <Molecular Weight (nearest integer)>
350

$$$$
216607
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
>  <NSC>
216607

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13FN2O5

>  <Molecular Weight (nearest integer)>
320

$$$$
244387
  CML DOM 09261310112D

 23 23  0  0  0  0  0  0  0  0999 V2000
    5.4005    2.7011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4779    1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    0.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2076   -3.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6805   -1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5144  -10.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2644  -11.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
244387

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
469-77-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H28O6

>  <Molecular Weight (nearest integer)>
328

>  <dtpname:Chemical Name>
SPICULISPORIC ACID

>  <dtpname:Chemical Name>
Spiculesporic acid

>  <dtpname:Chemical Name>
Spiculisporic acid

$$$$
101789
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.2761   -8.1526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0923   -5.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7679   -5.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1446   -7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -5.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -8.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 22  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <NSC>
101789

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H17NO

>  <Molecular Weight (nearest integer)>
311

$$$$
112203
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.0451   -9.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089   -7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902   -8.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -8.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902   -9.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -9.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0088  -10.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123  -10.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623   -9.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586   -7.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883   -8.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069  -10.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3079   -5.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0088  -12.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892   -7.7474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7541   -8.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1224  -11.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142  -11.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
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  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
112203

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26909-51-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H21NO6

>  <Molecular Weight (nearest integer)>
311

$$$$
126226
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.0245    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6669   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0688   11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
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 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
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 17 19  1  0  0  0  0
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M  END
>  <NSC>
126226

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O5

>  <Molecular Weight (nearest integer)>
302

$$$$
146071
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.0687    8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
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 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
>  <NSC>
146071

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H5Cl3N2O3

>  <Molecular Weight (nearest integer)>
320

$$$$
153391
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  2  0  0  0  0
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  9 10  2  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <NSC>
153391

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N2O3S

>  <Molecular Weight (nearest integer)>
328

$$$$
164459
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    5.9462  -12.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 19 21  1  0  0  0  0
M  END
>  <NSC>
164459

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70853-34-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13ClN2O3

>  <Molecular Weight (nearest integer)>
305

$$$$
190501
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.0490    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   12.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
190501

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13142-07-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10BrClN2O

>  <Molecular Weight (nearest integer)>
326

$$$$
205842
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <NSC>
205842

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17N3O3S

>  <Molecular Weight (nearest integer)>
319

$$$$
216621
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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   -3.4106   -3.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  8 10  1  0  0  0  0
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 14 15  2  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
216621

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H31NO2S

>  <Molecular Weight (nearest integer)>
350

$$$$
246999
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 23 24  2  0  0  0  0
M  END
>  <NSC>
246999

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H14FNS

>  <Molecular Weight (nearest integer)>
331

$$$$
105348
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  -11.4672    7.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1681    6.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4425    6.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5608    7.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0519    2.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5884    1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5191    2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5921   -0.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5228    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0593    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9790    5.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5118    4.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9827    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1286   -1.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6613   -1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1212    0.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6576   -0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
105348

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7000-47-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16ClNO3

>  <Molecular Weight (nearest integer)>
330

$$$$
114449
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -4.8056    7.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5059    4.7579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    6.3078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360    5.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2263    2.5232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637    2.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6111    3.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211    3.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5260    5.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070    0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0973   -0.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    1.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346   -0.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7913    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8816    1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9108    6.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9959    4.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2062    2.1772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257    7.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -1.4244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6551   -0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   -2.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152   -2.4546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <NSC>
114449

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N6O4S

>  <Molecular Weight (nearest integer)>
338

$$$$
129536
  CML DOM 09261310112D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -5.6828    7.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9328    8.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7829    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7829    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5068   10.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0731    3.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731    3.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599    1.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0956    9.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    8.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850    7.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9839    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500    5.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8 21  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
129536

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21416-53-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18O7

>  <Molecular Weight (nearest integer)>
310

>  <dtpname:Chemical Name>
PICROTIN

>  <dtpname:Chemical Name>
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1a.alpha.,2a.beta.,3.beta.,6.beta.,6a.beta.,8aS*,8b.beta.,9R*)-

>  <dtpname:9th C.I.>
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, [1aR-(1a.alpha.,2a.beta.,3.beta.,6.beta.,6a.beta.,8aS*,8b.beta.,9S*)]-

>  <dtpname:8th C.I.>
Picrotin

>  <dtpname:VAN>
Picrotin

$$$$
146554
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   14.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4731   15.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   17.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
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  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
146554

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N4O5S

>  <Molecular Weight (nearest integer)>
350

$$$$
154585
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    8.5442    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7404    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
154585

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17N3O3

>  <Molecular Weight (nearest integer)>
335

$$$$
165704
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -5.6275    5.5327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3948    7.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0947    5.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8447    6.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8410    7.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6485    9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <NSC>
165704

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16N2O4

>  <Molecular Weight (nearest integer)>
336

$$$$
191441
  CML DOM 09261310112D

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M  END
>  <NSC>
191441

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H17NO4

>  <Molecular Weight (nearest integer)>
347

$$$$
205912
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.4672   -1.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8202   -7.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
205912

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N3O4S2

>  <Molecular Weight (nearest integer)>
325

$$$$
216623
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
216623

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N3O2S

>  <Molecular Weight (nearest integer)>
301

$$$$
270063
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
270063

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35071-94-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14ClNO4

>  <Molecular Weight (nearest integer)>
308

$$$$
105781
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
105781

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16N2O2

>  <Molecular Weight (nearest integer)>
304

$$$$
114997
  CML DOM 09261310112D

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M  END
>  <NSC>
114997

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N2O4

>  <Molecular Weight (nearest integer)>
326

$$$$
133075
  CML DOM 09261310112D

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M  END
>  <NSC>
133075

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28558-60-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13N5O3S

>  <Molecular Weight (nearest integer)>
343

>  <dtpname:Chemical Name>
N-Carbamimidoyl-4-{[2-oxo-1,2-dihydro-3H-indol-3-ylidene]amino}benzenesulfonamide

$$$$
146769
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  23   1  24  -1
M  END
>  <NSC>
146769

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23552-71-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N4O3

>  <Molecular Weight (nearest integer)>
334

$$$$
156563
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
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 24 25  2  0  0  0  0
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M  END
>  <NSC>
156563

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14N2O5

>  <Molecular Weight (nearest integer)>
350

$$$$
169409
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
169409

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60439-44-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H25NO6

>  <Molecular Weight (nearest integer)>
339

>  <dtpname:9th C.I.>
Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-(4-morpholinyl)ethyl ester

$$$$
194308
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
194308

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90379-42-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H22N2O3S2

>  <Molecular Weight (nearest integer)>
306

$$$$
209901
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
209901

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
85391-67-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H6Cl3NOS

>  <Molecular Weight (nearest integer)>
331

$$$$
217913
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <NSC>
217913

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79100-27-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H8Cl2N4O2S

>  <Molecular Weight (nearest integer)>
307

$$$$
270916
  CML DOM 09261310112D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 21 22  3  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
270916

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17230-88-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H27NO2

>  <Molecular Weight (nearest integer)>
337

>  <dtpname:USAN>
Danazol

>  <dtpname:Chemical Name>
Danol

>  <dtpname:Chemical Name>
Danocrine

>  <dtpname:Chemical Name>
Winobanin

>  <dtpname:Chemical Name>
Chronogyn

>  <dtpname:Chemical Name>
Win 17757

>  <dtpname:Chemical Name>
WIN 17,757

>  <dtpname:Chemical Name>
Win 17,757

>  <dtpname:9th C.I.>
Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol, (17.alpha.)-

>  <dtpname:8th C.I.>
17.alpha.-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol

$$$$
105798
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
M  END
>  <NSC>
105798

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19872-72-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N2O5

>  <Molecular Weight (nearest integer)>
328

$$$$
116397
  CML DOM 09261310112D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
116397

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H27NO3

>  <Molecular Weight (nearest integer)>
329

$$$$
135184
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
135184

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20N2O3S

>  <Molecular Weight (nearest integer)>
308

$$$$
146770
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   -4.6471   12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
146770

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23625-78-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N4O

>  <Molecular Weight (nearest integer)>
304

$$$$
157725
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
157725

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12ClN3O3

>  <Molecular Weight (nearest integer)>
330

$$$$
176736
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
176736

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10286-79-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H7Cl4NO

>  <Molecular Weight (nearest integer)>
335

$$$$
201659
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  3  0  0  0  0
M  END
>  <NSC>
201659

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11ClN2O3S

>  <Molecular Weight (nearest integer)>
323

$$$$
211340
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.9217   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  7  8  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
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M  CHG  2  18   1  19  -1
M  END
>  <NSC>
211340

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9N5O3S

>  <Molecular Weight (nearest integer)>
303

$$$$
228137
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9510   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
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M  CHG  2  18  -1  19   1
M  END
>  <NSC>
228137

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O5S

>  <Molecular Weight (nearest integer)>
334

$$$$
281307
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -3.4296   10.4942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4296    8.0672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
281307

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58950-34-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10Cl3N5

>  <Molecular Weight (nearest integer)>
331

>  <dtpname:Chemical Name>
3H-1,2,3-Triazolo[4,5-d]pyrimidine, 4,7-dihydro-3-(phenylmethyl)-5-(trichloromethyl)-

$$$$
106464
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9240    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
106464

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H20N2O5

>  <Molecular Weight (nearest integer)>
332

$$$$
120290
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
120290

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N6O2S2

>  <Molecular Weight (nearest integer)>
332

$$$$
135381
  CML DOM 09261310112D

 21 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
135381

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H20O3S

>  <Molecular Weight (nearest integer)>
304

$$$$
147358
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
147358

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
38053-02-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H17ClN2O

>  <Molecular Weight (nearest integer)>
301

$$$$
158959
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -1.6740   -1.3995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
158959

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11Cl2NO

>  <Molecular Weight (nearest integer)>
316

$$$$
177407
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -7.4442  -11.4530    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
177407

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58885-11-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H5Cl2F3N4

>  <Molecular Weight (nearest integer)>
333

$$$$
201989
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <NSC>
201989

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14318-37-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H22N2S2

>  <Molecular Weight (nearest integer)>
343

$$$$
211787
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  15   1  16  -1
M  END
>  <NSC>
211787

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N2O4

>  <Molecular Weight (nearest integer)>
326

$$$$
228150
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  2  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  CHG  2  19   1  20  -1
M  END
>  <NSC>
228150

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53619-67-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9N3O4S

>  <Molecular Weight (nearest integer)>
303

$$$$
281383
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0490    0.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9708    3.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    2.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9708    1.2217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3525    2.4352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0033    3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4657    4.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4657    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6385    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.9352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
281383

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H21N3O2S

>  <Molecular Weight (nearest integer)>
319

$$$$
110332
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -7.2631   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9641   -1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5622   -1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9641   -2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5622   -2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2631   -3.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4593    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9365    0.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4495   -0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4951   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4853   -1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0081   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9723    2.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4854    3.8329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1603    1.7638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1603    3.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8612    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5622    1.7638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8612   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6651   -3.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3660   -2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0670   -3.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
110332

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H21N3O3

>  <Molecular Weight (nearest integer)>
303

$$$$
120622
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.0367   -2.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886   -3.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -3.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4858   -4.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877   -4.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4858   -5.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877   -5.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -6.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7067   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163    0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4463   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5954   -2.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654   -0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9354    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7863    2.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3449    1.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6749   -0.0064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877   -1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0838   -5.5944    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7848   -7.8444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
>  <NSC>
120622

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19157-68-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H16N2O5

>  <Molecular Weight (nearest integer)>
316

$$$$
137112
  CML DOM 09261310112D

 26 31  0  0  0  0  0  0  0  0999 V2000
    4.7776   -3.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6973   -5.2196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7484   -2.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494   -3.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   -3.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494   -4.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   -4.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611   -3.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8111    0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    1.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611   -0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8111   -2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5611    1.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5611   -3.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8111   -2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0423   -1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6396   -4.6554    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3494   -3.8903    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.6222   -6.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  1 23  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 13  2  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 18 24  1  0  0  0  0
 20 21  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  CHG  2  24   1  25  -1
M  END
>  <NSC>
137112

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24516-67-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21N3O2

>  <Molecular Weight (nearest integer)>
347

$$$$
149054
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.3481    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8433    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
149054

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13N3O3

>  <Molecular Weight (nearest integer)>
307

$$$$
159092
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2542    2.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    1.6019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042    0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4677    1.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
159092

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13ClN2O2S

>  <Molecular Weight (nearest integer)>
333

>  <dtpname:Chemical Name>
3-[(2-Aminophenyl)sulfanyl]-1-(2-chlorophenyl)pyrrolidine-2,5-dione

$$$$
186067
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   10.9039    4.1893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3911    4.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  2  0  0  0  0
M  END
>  <NSC>
186067

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25N3O2

>  <Molecular Weight (nearest integer)>
339

>  <dtpname:Chemical Name>
Methergine

$$$$
202705
  CML DOM 09261310112D

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    2.0491   -9.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6269   -2.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640   -3.8350    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
202705

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9ClN4OS

>  <Molecular Weight (nearest integer)>
305

$$$$
215684
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.5197   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  14   1  15  -1
M  END
>  <NSC>
215684

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O6

>  <Molecular Weight (nearest integer)>
318

$$$$
241619
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
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  6 19  1  0  0  0  0
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 10 21  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
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M  CHG  2  16   1  17  -1
M  END
>  <NSC>
241619

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60943-84-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15N3O5

>  <Molecular Weight (nearest integer)>
305

$$$$
281623
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   16.3303   -4.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
>  <NSC>
281623

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O3S

>  <Molecular Weight (nearest integer)>
340

$$$$
110562
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.5712   -2.3505    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8702   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6202    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    4.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202    5.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
110562

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8BrNO3S

>  <Molecular Weight (nearest integer)>
302

$$$$
121908
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.2231    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    2.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    3.6495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   14.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  2  3  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
121908

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29622-53-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H22N2O2S

>  <Molecular Weight (nearest integer)>
306

$$$$
142277
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.3481    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   12.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   12.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
142277

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13FN2O3S

>  <Molecular Weight (nearest integer)>
320

$$$$
150432
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.7474    5.2176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   11.2170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6834    9.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    8.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951    8.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0143    7.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165    7.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261    6.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    6.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8187    7.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696    6.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496    5.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    5.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613    4.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4592    4.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4805    2.9493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8827    2.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4055    2.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239    6.7544    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    7.3452    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
>  <NSC>
150432

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12ClN3O3

>  <Molecular Weight (nearest integer)>
318

$$$$
159398
  CML DOM 09261310112D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.5071    6.5733    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    3.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910    3.5733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910    2.0733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891    6.5733    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910    6.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    5.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    5.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    4.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    4.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3  4  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
159398

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13472-80-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H3I2NO

>  <Molecular Weight (nearest integer)>
347

$$$$
186194
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
  -10.4869   -1.4005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7004   -3.5024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7320   -2.8923    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -7.7320   -1.3923    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.1340   -2.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4330   -3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8349   -3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4330   -5.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8349   -5.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1340   -5.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9541   -1.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7041   -2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3301   -2.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5643    0.2816    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -14.0560    0.4384    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.6826    1.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3722   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6841    1.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0311   -3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5694    2.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1428    1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0281    2.6143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8309    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  4   3   1   4  -1  14   1  15  -1
M  END
>  <NSC>
186194

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
42021-74-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H20N4O5

>  <Molecular Weight (nearest integer)>
324

$$$$
205827
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -9.7074    7.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3236   -0.4755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
205827

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N3O2S

>  <Molecular Weight (nearest integer)>
301

$$$$
215689
  CML DOM 09261310112D

 25 26  0  0  0  0  0  0  0  0999 V2000
    7.5197   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  2  0  0  0  0
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M  CHG  2  14   1  15  -1
M  END
>  <NSC>
215689

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15N3O6

>  <Molecular Weight (nearest integer)>
345

$$$$
241624
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    4.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
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 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <NSC>
241624

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H20N2O3S

>  <Molecular Weight (nearest integer)>
332

$$$$
281624
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4179    0.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5803   -3.5006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 22  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
281624

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62178-12-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N2OS

>  <Molecular Weight (nearest integer)>
310

$$$$
282137
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.3212    5.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3212    7.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
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  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
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  8  9  2  0  0  0  0
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  9 18  1  0  0  0  0
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 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
282137

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58137-29-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H22N4O2

>  <Molecular Weight (nearest integer)>
314

$$$$
300540
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
300540

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12Cl2N2O

>  <Molecular Weight (nearest integer)>
331

$$$$
319449
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
319449

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H19NO3S

>  <Molecular Weight (nearest integer)>
341

$$$$
328010
  CML DOM 09261310112D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.0578    4.8094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6359    7.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780    5.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
328010

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20N2O6

>  <Molecular Weight (nearest integer)>
336

$$$$
333544
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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   -8.0841   -0.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0841    0.8111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
333544

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H24N4O2S

>  <Molecular Weight (nearest integer)>
336

$$$$
345850
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
345850

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71700-31-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20N4O4

>  <Molecular Weight (nearest integer)>
332

$$$$
372146
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
M  END
>  <NSC>
372146

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15N3O2

>  <Molecular Weight (nearest integer)>
305

>  <dtpname:Chemical Name>
1,3,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-

$$$$
326375
  CML DOM 09261310112D

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    6.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    7.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    7.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <NSC>
326375

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21367-74-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H18N2O

>  <Molecular Weight (nearest integer)>
338

$$$$
135168
  CML DOM 09261310112D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -6.4547   10.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7537    9.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1557    9.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1557    8.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7537    8.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4547    7.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4547    6.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7047    4.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2047    4.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5479    3.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3344    5.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    6.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4036    7.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5516    2.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0881    0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    6.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6209    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5037    4.1604    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -9.8028    4.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 18  2  0  0  0  0
 10 14  1  0  0  0  0
 11 17  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
>  <NSC>
135168

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34166-91-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H15NO2

>  <Molecular Weight (nearest integer)>
313

$$$$
112125
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
  -10.2562   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9572   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6581   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3591   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3591   -8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0601   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4620   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9572   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2562   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5553   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.8543   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6581   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6581   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9572   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9572   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6581  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  2  0  0  0  0
  2 19  1  0  0  0  0
  3 12  2  0  0  0  0
  3 13  1  0  0  0  0
  4 19  2  0  0  0  0
  4 12  1  0  0  0  0
  5 20  2  0  0  0  0
  5 24  1  0  0  0  0
  6 11  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
112125

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3682-35-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12N6

>  <Molecular Weight (nearest integer)>
312

>  <dtpname:Chemical Name>
TPTZ (iron reagent)

>  <dtpname:Chemical Name>
Terpyridyl-s-triazine

>  <dtpname:Chemical Name>
Tri-2-pyridyl-s-triazine

>  <dtpname:Chemical Name>
s-Triazine, tri-2-pyridyl-

>  <dtpname:Chemical Name>
2,4,6-Tripyridyl-s-triazine

>  <dtpname:Chemical Name>
2,4,6-Tripyridyl-1,3,5-triazine

>  <dtpname:Chemical Name>
2,4,6-Tri(2-pyridyl)-s-triazine

>  <dtpname:Chemical Name>
2,4,6-Tris(2-pyridyl)-5-triazine

>  <dtpname:Chemical Name>
2,4,6-Tris(2-pyridyl)-s-triazine

>  <dtpname:Chemical Name>
2,4,6-Tri(2'-pyridyl)-s-triazine

>  <dtpname:Chemical Name>
2,4,6-Tris(2-pyridyl)-1,3,5-triazine

>  <dtpname:9th C.I.>
1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-

>  <dtpname:8th C.I.>
s-Triazine, 2,4,6-tri-2-pyridyl-

$$$$
283849
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
283849

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54756-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20N2O4

>  <Molecular Weight (nearest integer)>
328

$$$$
303294
  CML DOM 09261310112D

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  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
303294

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63018-28-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13N3O3S2

>  <Molecular Weight (nearest integer)>
347

$$$$
321517
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.7585    7.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076    6.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3171    7.2403    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0190    9.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699   10.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3490    7.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    8.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
321517

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H23N3OS2

>  <Molecular Weight (nearest integer)>
313

$$$$
328111
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
328111

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H6Cl2N2O4

>  <Molecular Weight (nearest integer)>
325

$$$$
335504
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.8111    0.9784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5820   -3.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289    5.0475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2538    2.9089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1012    2.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    4.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    3.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392    5.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2157    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1661    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2863   -1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -2.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -1.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764    0.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8932   -1.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2214    0.7702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528   -4.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885    2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0077   -3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -2.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425   -4.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974   -4.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1 10  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
335504

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21829-22-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17ClN2O4

>  <Molecular Weight (nearest integer)>
337

>  <dtpname:USAN>
Clonixeril

>  <dtpname:Chemical Name>
Sch 12707

>  <dtpname:Chemical Name>
2,3-Dihydroxypropyl 2-(3-chloro-o-toluidino)nicotinate

>  <dtpname:9th C.I.>
3-Pyridinecarboxylic acid, 2-[(3-chloro-2-methylphenyl)amino]-, 2,3-dihydroxypropyl ester

>  <dtpname:8th C.I.>
Nicotinic acid, 2-(3-chloro-o-toluidino)-, 2,3-dihydroxypropyl ester

$$$$
346578
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.6795    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795    0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786   -1.4310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776    0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5767    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5767    0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5766    4.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1747    4.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1748   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1747    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5767   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2500   -1.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <NSC>
346578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82260-84-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H18FNO3

>  <Molecular Weight (nearest integer)>
339

>  <dtpname:Chemical Name>
7H-Pyrano[2,3-c]acridin-7-one, 11-fluoro-3,12-dihydro-6-methoxy-3,3,12-trimethyl-

$$$$
372275
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.4731    4.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    3.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    5.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    2.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712    4.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712    3.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    5.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5270    7.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7405    5.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9942   10.1003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    7.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1741    2.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4123    8.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7442    8.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2443   11.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
372275

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18N2O3

>  <Molecular Weight (nearest integer)>
322

$$$$
339316
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.7783   -4.2519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2824   -4.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633   -3.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885   -1.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7884   -1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1841   -1.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6247   -3.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386   -2.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089   -1.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269   -5.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7755   -6.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2755   -6.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7755   -6.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.2783   -4.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5269   -5.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0241   -8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
339316

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
88324-52-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H21N5S

>  <Molecular Weight (nearest integer)>
303

$$$$
142446
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -9.4882    1.7181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0173    2.5209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0284   -0.8233    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5575   -0.0204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5575   10.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <NSC>
142446

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16ClN5

>  <Molecular Weight (nearest integer)>
350

$$$$
126347
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -7.2521   -6.7851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294   -3.3216    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294   -5.7486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6540   -3.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559   -5.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6540   -5.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3550   -6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -4.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5511   -6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8502   -6.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2521   -8.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9531   -6.0351    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7523   -4.5351    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5023   -5.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
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  3 10  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
126347

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16N2O2S3

>  <Molecular Weight (nearest integer)>
328

$$$$
288387
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.2721    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3654   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -3.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  2  0  0  0  0
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 16 21  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
288387

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61369-43-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16N4O3

>  <Molecular Weight (nearest integer)>
348

$$$$
303612
  CML DOM 09261310112D

 23 27  0  0  0  0  0  0  0  0999 V2000
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    3.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
303612

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29216-28-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H22N2S

>  <Molecular Weight (nearest integer)>
322

>  <dtpname:Chemical Name>
LM 209

>  <dtpname:Chemical Name>
Virginan

>  <dtpname:Chemical Name>
Mequitazine

>  <dtpname:Chemical Name>
10-(3-Quinuclidinylmethyl)phenothiazine

>  <dtpname:9th C.I.>
10H-Phenothiazine, 10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-

>  <dtpname:8th C.I.>
Phenothiazine, 10-(3-quinuclidinylmethyl)-

$$$$
324623
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -2.3236   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
324623

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13N3O2

>  <Molecular Weight (nearest integer)>
327

>  <dtpname:Chemical Name>
4H-Quinolizin-4-one, 3-(2-pyridinyl)-1-(3-pyridinylcarbonyl)-

$$$$
329052
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.9800    1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6809    1.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6681   -0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    0.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6763   -3.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6764   -5.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9264   -7.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1764   -8.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9264   -7.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
329052

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22N4O4

>  <Molecular Weight (nearest integer)>
322

$$$$
337726
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.4481    9.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   11.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548   12.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4116   11.0783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616    8.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751    9.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8788   11.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6974    6.1210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    3.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    3.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092    2.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8120    2.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2597    7.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9607    5.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    4.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 21  2  0  0  0  0
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 15 16  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
337726

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N2O3S

>  <Molecular Weight (nearest integer)>
304

$$$$
349156
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.4201    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467    6.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6771    0.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8139    3.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6955    4.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2038    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3057    3.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    3.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9322    2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8303    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9486    2.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467    4.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404    2.6897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5587    1.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4568    3.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 19  1  0  0  0  0
  3 17  2  0  0  0  0
 10  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  6  0  0  0
  6  8  1  0  0  0  0
  6 21  1  1  0  0  0
  7  9  1  0  0  0  0
  7 25  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  6  0  0  0
  9 10  1  0  0  0  0
  9 24  1  1  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 18  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
349156

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
96203-70-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15NO8

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
B844009K070

>  <dtpname:Chemical Name>
PANCRATISTATIN

>  <dtpname:Chemical Name>
PANCRATISTATIN

>  <dtpname:Chemical Name>
Pancratistatin

>  <dtpname:9th C.I.>
[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 1,3,4,4a,5,11b-hexahydro-1,2,3,4,7-pentahydroxy-,

$$$$
372499
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
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  9 22  1  0  0  0  0
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 15 16  2  0  0  0  0
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 20 24  1  0  0  0  0
M  END
>  <NSC>
372499

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O3

>  <Molecular Weight (nearest integer)>
308

$$$$
339594
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  14   1  15  -1
M  END
>  <NSC>
339594

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13N5O2S

>  <Molecular Weight (nearest integer)>
339

$$$$
150114
  CML DOM 09261310112D

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M  END
>  <NSC>
150114

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55933-61-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21NO

>  <Molecular Weight (nearest integer)>
303

$$$$
149050
  CML DOM 09261310112D

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M  END
>  <NSC>
149050

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35252-64-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H10Cl2N4

>  <Molecular Weight (nearest integer)>
341

$$$$
293360
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
293360

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55721-24-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H17NO6

>  <Molecular Weight (nearest integer)>
343

>  <dtpname:9th C.I.>
1,3(2H,9bH)-Dibenzofurandione, 6-acetyl-2-(1-aminoethylidene)-7,9-dihydroxy-8,9b-dimethyl-

$$$$
305780
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
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M  END
>  <NSC>
305780

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N4S.1/2C2H6O

>  <Molecular Weight (nearest integer)>
341

>  <dtpname:Chemical Name>
Ethanol, compd. with 6-(2-naphthalenylthio)-2,4-quinazolinediamine (1:2)

$$$$
326182
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
326182

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67829-24-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15N3O3

>  <Molecular Weight (nearest integer)>
309

>  <dtpname:Chemical Name>
5-(Benzo[d][1,3]dioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine

$$$$
329249
  CML DOM 09261310112D

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M  CHG  2  21   1  22  -1
M  END
>  <NSC>
329249

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9ClN4O3S

>  <Molecular Weight (nearest integer)>
349

$$$$
339589
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.6532    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
339589

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16ClN3OS

>  <Molecular Weight (nearest integer)>
322

$$$$
352890
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8860    4.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7216    2.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
352890

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77691-03-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N4O4.ClH

>  <Molecular Weight (nearest integer)>
303

>  <dtpname:Chemical Name>
9-DEAZAADENOSINE

>  <dtpname:Chemical Name>
9-DEAZAADENOSINE

>  <dtpname:Chemical Name>
9-Deazaadenosine

>  <dtpname:Chemical Name>
5H-Pyrrolo[3,2-d]pyrimidine-4-amine, 7-.beta.-D- ribofuranosyl-, monohydrochloride

$$$$
372767
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.0245    0.2745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
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M  CHG  2  19   1  20  -1
M  END
>  <NSC>
372767

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H9BrN2O3

>  <Molecular Weight (nearest integer)>
345

$$$$
252359
  CML DOM 09261310112D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
252359

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19ClN6

>  <Molecular Weight (nearest integer)>
343

$$$$
197008
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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    3.1793  -16.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
197008

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H28N2O4

>  <Molecular Weight (nearest integer)>
336

$$$$
187675
  CML DOM 09261310112D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.3787   -7.1370    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
>  <NSC>
187675

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10AsNO5

>  <Molecular Weight (nearest integer)>
323

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-187675

$$$$
294750
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.7366    3.6414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3662    3.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0544    1.5640    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3126    0.1082    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3126   -2.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
>  <NSC>
294750

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63238-00-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N4O3S2

>  <Molecular Weight (nearest integer)>
310

$$$$
308848
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.7745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7062    7.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2550    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  4  6  2  0  0  0  0
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 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
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 16 22  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
308848

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69408-82-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H21N3O2

>  <Molecular Weight (nearest integer)>
311

>  <dtpname:Chemical Name>
1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(diethylamino)ethyl]-

$$$$
326184
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.9068    2.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    3.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    4.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8740    3.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7557    1.9502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7661    2.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9797    1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    3.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2932    4.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8771    3.9725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    1.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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  2  4  1  0  0  0  0
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 13 22  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
326184

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67829-28-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10ClN3O3

>  <Molecular Weight (nearest integer)>
316

$$$$
329255
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0023    4.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0023    3.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2968    5.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5958    4.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0224    2.7725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040    3.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    5.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4041    6.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040    6.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9041    6.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6541    7.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    9.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6541    7.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541    7.8831    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6540    5.2851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9041    9.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
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  9 20  1  0  0  0  0
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 15 18  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <NSC>
329255

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15N3OS2

>  <Molecular Weight (nearest integer)>
329

$$$$
339630
  CML DOM 09261310112D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -5.1432   -7.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9705   -6.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5081   -9.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5729   -5.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3577  -12.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540  -13.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9614  -12.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8097  -14.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -8.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6092  -14.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8131  -13.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417  -12.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <NSC>
339630

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67937-86-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H21N3.CH4O3S

>  <Molecular Weight (nearest integer)>
339

$$$$
362639
  CML DOM 09261310112D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7500   -6.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -5.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -6.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924   -2.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -10.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4915   -3.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -8.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -9.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4915   -4.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905   -1.0726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0896   -4.8226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5442   -6.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
  9 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
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 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
362639

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
72177-30-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8N6O6

>  <Molecular Weight (nearest integer)>
344

$$$$
375981
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
375981

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15N3O4

>  <Molecular Weight (nearest integer)>
337

$$$$
105827
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -0.2257    6.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7378    5.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013    6.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6523    7.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0914   11.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   10.0219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3414   10.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279    7.2963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0550    7.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
105827

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22242-90-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15N5O4S

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
THIOSANGIVAMYCIN

>  <dtpname:Chemical Name>
Thiosangivamycin

>  <dtpname:Chemical Name>
SANGIVAMYCIN,-THIO

>  <dtpname:9th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carbothioamide, 4-amino-7-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosylthio-

$$$$
245091
  CML DOM 09261310112D

 24 29  0  0  0  0  0  0  0  0999 V2000
    1.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4032    2.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7735    1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5235    2.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2735    1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 15 16  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
245091

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H28O2

>  <Molecular Weight (nearest integer)>
324

$$$$
222362
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    0.4755   -2.3235    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187   -5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6178   -6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0197   -6.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6178   -7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0197   -7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187   -8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4216   -3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1226   -2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226   -5.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8235   -4.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7206   -8.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7206   -5.3236    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9706   -6.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
222362

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16AsClO3

>  <Molecular Weight (nearest integer)>
319

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-222362

$$$$
294756
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
  -10.3901    0.9611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0198    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7079   -1.1163    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9662   -2.5721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
294756

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63238-13-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H19N3OS2

>  <Molecular Weight (nearest integer)>
333

$$$$
308849
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.7745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3438    6.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6682    7.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4077    9.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9223    9.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  9  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
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 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
308849

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69408-83-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19N3O2

>  <Molecular Weight (nearest integer)>
309

>  <dtpname:Chemical Name>
1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(1-pyrrolidinyl)ethyl]-

$$$$
326385
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401    6.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    5.9882    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5583    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0583    3.3901    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
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 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
326385

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H5ClINO2

>  <Molecular Weight (nearest integer)>
334

$$$$
330770
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.0490    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7404    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
330770

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82585-91-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N5O2

>  <Molecular Weight (nearest integer)>
311

>  <dtpname:Chemical Name>
(5-AMINO-1,2-DIHYDRO-3-PHENYLPYRIDO[3,4-B]PYRAZIN-7-YL)CARBAMIC ACID, ETHYL ESTER

>  <dtpname:Chemical Name>
Carbamic acid, (5-amino-1,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester

$$$$
341956
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.5660   -0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -1.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2369   -1.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022    0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3972   -0.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3344    0.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9674    0.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  9  1  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
341956

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
72014-01-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17NO6

>  <Molecular Weight (nearest integer)>
307

>  <dtpname:Chemical Name>
1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2,3-dihydro-2-methyl-, methyl ester

$$$$
366289
  CML DOM 09261310112D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1471    7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
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  7  8  1  0  0  0  0
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 13 17  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
366289

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82501-04-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6Cl3N5

>  <Molecular Weight (nearest integer)>
303

$$$$
375982
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   -8.2500    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
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 15 16  2  0  0  0  0
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 15 25  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
375982

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20575-74-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H28N4O2

>  <Molecular Weight (nearest integer)>
344

$$$$
211356
  CML DOM 09261310112D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  -10.0173  -11.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173  -12.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
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M  CHG  2  24   1  25  -1
M  END
>  <NSC>
211356

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21428-08-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H18N4O5

>  <Molecular Weight (nearest integer)>
346

$$$$
278323
  CML DOM 09261310112D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   12.0664   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 12  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
278323

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H18N2O6S2

>  <Molecular Weight (nearest integer)>
326

$$$$
321502
  CML DOM 09261310112D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
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M  END
>  <NSC>
321502

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H9Cl2NOS

>  <Molecular Weight (nearest integer)>
346

$$$$
295300
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    4.3833    0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 24 25  2  0  0  0  0
M  END
>  <NSC>
295300

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64261-47-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H18N4O

>  <Molecular Weight (nearest integer)>
330

$$$$
319012
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    2.9731   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
319012

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33371-02-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H23N3O4

>  <Molecular Weight (nearest integer)>
321

$$$$
326422
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -5.2721   -0.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8141   -1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <NSC>
326422

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N4O2S

>  <Molecular Weight (nearest integer)>
306

$$$$
331968
  CML DOM 09261310112D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.8549    6.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8549    5.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
331968

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52837-65-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10Cl2N2

>  <Molecular Weight (nearest integer)>
301

$$$$
343549
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.3127    4.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
343549

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H27NO2

>  <Molecular Weight (nearest integer)>
301

>  <dtpname:Chemical Name>
1-Oxa-4-azaspiro[4.5]decane, 4-[4-(1,1-dimethylethyl)benzoyl]-

$$$$
366801
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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 18 21  1  0  0  0  0
M  END
>  <NSC>
366801

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H21ClN4O

>  <Molecular Weight (nearest integer)>
333

$$$$
145992
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    8.1692   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
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  8 11  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
145992

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50508-27-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13ClN2O5

>  <Molecular Weight (nearest integer)>
301

$$$$
369986
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    5.1658  -13.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <NSC>
369986

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H19N7O2

>  <Molecular Weight (nearest integer)>
329

$$$$
300289
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.7477    9.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477    9.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3794    9.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9977    8.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977    8.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4977    8.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060    9.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7477    7.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8060    7.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3794    7.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2477    1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9977    8.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 21  1  0  0  0  0
 17 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
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M  CHG  2  21   1  22  -1
M  END
>  <NSC>
300289

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54824-20-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H17N3O4

>  <Molecular Weight (nearest integer)>
339

>  <dtpname:Chemical Name>
Pinafide

>  <dtpname:Chemical Name>
1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-nitro-2-[2-(1-pyrrolidinyl)ethyl]-

$$$$
329250
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7523    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7523    4.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532    6.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532    3.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458    6.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458    4.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    4.0715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1541    5.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4041    6.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    7.8831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 19  1  0  0  0  0
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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
>  <NSC>
329250

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9ClN4O3S

>  <Molecular Weight (nearest integer)>
349

$$$$
299119
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -5.0005    9.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5823    7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1188    8.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1553    7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 20  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <NSC>
299119

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31209-24-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N4O2S2

>  <Molecular Weight (nearest integer)>
312

$$$$
319424
  CML DOM 09261310112D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.9638    1.9952    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    3.4952    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6691    0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7738   -0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4856    0.3635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
319424

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H4F5N3OS

>  <Molecular Weight (nearest integer)>
309

$$$$
326757
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 23  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
326757

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15517-46-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H14O4

>  <Molecular Weight (nearest integer)>
318

$$$$
332670
  CML DOM 09261310112D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.7500    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    5.7135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4554    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2054    3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7054    3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7054    5.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4554    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 18 24  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
332670

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24293-67-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H14N2O

>  <Molecular Weight (nearest integer)>
310

$$$$
343550
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.3115    0.1177    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8285    0.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2826    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8916   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7997    1.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -0.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627    0.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6202    1.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4375   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909   -2.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3981   -1.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 15  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  3  0  0  0  0
M  END
>  <NSC>
343550

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9BrN4S

>  <Molecular Weight (nearest integer)>
309

$$$$
371765
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2454    6.0223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1271    7.2358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1271    4.8088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5537    6.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5537    5.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672    7.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6104    9.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7214    7.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1943    9.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4078   10.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7818   10.8036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5646   11.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2736   10.6468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7672    4.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
371765

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14N6O

>  <Molecular Weight (nearest integer)>
318

$$$$
201868
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -12.7159    6.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3140    6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6130    5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6130    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3140    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8188    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
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 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
201868

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18N4O

>  <Molecular Weight (nearest integer)>
318

$$$$
372287
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.5000    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5583    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1563    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7544    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 23  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  CHG  2  24   1  25  -1
M  END
>  <NSC>
372287

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13N3O5

>  <Molecular Weight (nearest integer)>
339

$$$$
111118
  CML DOM 09261310112D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   12.0664   -3.1005    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <NSC>
111118

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24455-29-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8Cl2S3

>  <Molecular Weight (nearest integer)>
331

$$$$
338578
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
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 17 19  2  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
338578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55119-42-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N4O2

>  <Molecular Weight (nearest integer)>
318

$$$$
378717
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745   -1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745   -1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2663   -1.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1644   -2.9439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3359   -6.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7062   -5.7109    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9197   -6.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926   -8.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <NSC>
378717

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
85380-92-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19NO2S2

>  <Molecular Weight (nearest integer)>
333

$$$$
630602
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  8  2  0  0  0  0
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  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
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 12 25  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 24  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
630602

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H21NO3

>  <Molecular Weight (nearest integer)>
347

>  <dtpname:Chemical Name>
1-Piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl- methylene)-, ethyl ester

$$$$
660151
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.1979    2.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7959    2.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4969    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 20  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
660151

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17N2O3P

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:Chemical Name>
Diethyl 2-phosphono-3-(3-indole)acrylonitrile

$$$$
12666
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.8896    2.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
12666

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5410-68-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13AsN2O5

>  <Molecular Weight (nearest integer)>
364

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-12666

$$$$
24113
  CML DOM 09261310112D

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M  END
>  <NSC>
24113

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5459-31-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21ClN2S

>  <Molecular Weight (nearest integer)>
369

$$$$
46385
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
46385

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13153-28-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H18N6O4S

>  <Molecular Weight (nearest integer)>
390

$$$$
70799
  CML DOM 09261310112D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
70799

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2302-49-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H36N2O3

>  <Molecular Weight (nearest integer)>
377

$$$$
84126
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
84126

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12AsN5O4S

>  <Molecular Weight (nearest integer)>
385

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-84126

$$$$
91397
  CML DOM 09261310112D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
91397

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H25ClN2O2

>  <Molecular Weight (nearest integer)>
397

$$$$
116709
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   -1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
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  3  6  2  0  0  0  0
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M  END
>  <NSC>
116709

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34950-20-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H19NO2

>  <Molecular Weight (nearest integer)>
353

$$$$
379538
  CML DOM 09261310112D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.9311  -10.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311  -12.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3202   -8.6275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320  -10.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6670  -10.8447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670  -12.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817   -9.8410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2  5  1  0  0  0  0
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 16 17  2  0  0  0  0
 19 20  3  0  0  0  0
M  END
>  <NSC>
379538

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79220-60-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10ClN5S

>  <Molecular Weight (nearest integer)>
304

$$$$
631160
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    6.4057    6.4485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0633    7.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3591    9.1211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4011   10.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7493    9.5426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405    8.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6195    7.0152    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   11.0614    7.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2221    4.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
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  8 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
631160

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N7O2S

>  <Molecular Weight (nearest integer)>
317

>  <dtpname:Chemical Name>
Pyridine, 3-[4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- 4H-1,2,4-triazol-3-yl]-

$$$$
3323
  CML DOM 09261310112D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  1 23  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  5  6  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
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  8 22  1  0  0  0  0
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 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
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 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
>  <NSC>
3323

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5327-39-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H25N3O2

>  <Molecular Weight (nearest integer)>
375

$$$$
13316
  CML DOM 09261310112D

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M  END
>  <NSC>
13316

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5428-80-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21ClN2O

>  <Molecular Weight (nearest integer)>
353

>  <dtpname:Chemical Name>
(2-(4-chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol

$$$$
29200
  CML DOM 09261310112D

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    9.4683   -8.8995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  22   1  23  -1
M  END
>  <NSC>
29200

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1525-17-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13F2N5O2

>  <Molecular Weight (nearest integer)>
357

$$$$
49852
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  4  5  2  0  0  0  0
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  5  7  1  0  0  0  0
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  6  7  2  0  0  0  0
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  9 18  1  0  0  0  0
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 14 16  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
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M  CHG  4  14   1  15  -1  20   1  21  -1
M  END
>  <NSC>
49852

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9AsN2O8

>  <Molecular Weight (nearest integer)>
384

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-49852

$$$$
73053
  CML DOM 09261310112D

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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
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 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
73053

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H17NO3.H2O4S

>  <Molecular Weight (nearest integer)>
381

$$$$
89602
  CML DOM 09261310112D

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  8 10  2  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <NSC>
89602

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
450-49-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25ClN2O3

>  <Molecular Weight (nearest integer)>
377

>  <dtpname:Chemical Name>
1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- methoxyphenoxy)methyl]-

$$$$
97920
  CML DOM 09261310112D

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M  END
>  <NSC>
97920

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6723-16-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H24N4

>  <Molecular Weight (nearest integer)>
393

>  <dtpname:Chemical Name>
Dispiro[1H-perimidine-2(3H),1'-cyclohexane-4',2(3H)-[1H]perimidine]

$$$$
117028
  CML DOM 09261310112D

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  -13.7404   -6.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
117028

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H20BrN3O

>  <Molecular Weight (nearest integer)>
398

$$$$
379697
  CML DOM 09261310112D

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 23 24  3  0  0  0  0
M  END
>  <NSC>
379697

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H11ClN4OS

>  <Molecular Weight (nearest integer)>
343

$$$$
632536
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
632536

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H29N3

>  <Molecular Weight (nearest integer)>
323

>  <dtpname:Chemical Name>
1,4-Benzenediamine,N-phenyl-N'-(2,2,6,6-tetramethyl-4-piperidinyl)-

>  <dtpname:8th C.I.>
Piperidine, 4-(p-anilinoanilino)-2,2,6,6-tetramethyl-

$$$$
5157
  CML DOM 09261310112D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <NSC>
5157

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31589-45-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H21NO6

>  <Molecular Weight (nearest integer)>
395

$$$$
14974
  CML DOM 09261310112D

 28 32  0  0  0  0  0  0  0  0999 V2000
    5.0463    5.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7963    4.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222    7.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <NSC>
14974

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1448-22-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O8

>  <Molecular Weight (nearest integer)>
396

>  <dtpname:Chemical Name>
GLAUCARUBOL

>  <dtpname:Chemical Name>
Glaucarubol

$$$$
31748
  CML DOM 09261310112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.2500   -8.2500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5491   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -2.2500    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
31748

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6324-94-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8AsIO4

>  <Molecular Weight (nearest integer)>
358

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-31748

$$$$
50650
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -9.5508    7.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3418    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437   -0.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3418   -0.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428   -1.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9399    5.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9399    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2389    6.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2389    3.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5380    5.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5380    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.0426    7.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4161    9.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0262    7.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1445    6.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2389    1.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6409    3.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3418    4.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6408    1.8691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428    3.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428   -2.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3418   -3.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
50650

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
132-62-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H17NO5

>  <Molecular Weight (nearest integer)>
363

>  <dtpname:Chemical Name>
C.I. 37605

>  <dtpname:Chemical Name>
Naphtol AS-DB

>  <dtpname:Chemical Name>
Naphthanil DB

>  <dtpname:Chemical Name>
Naphtol AS-BT

>  <dtpname:Chemical Name>
Naphthol AS-BT

>  <dtpname:Chemical Name>
Naphthol AS-HB

>  <dtpname:Chemical Name>
Naphthol AS-DB

>  <dtpname:Chemical Name>
Tulathol AS BT

>  <dtpname:Chemical Name>
Naphtanilide BT

>  <dtpname:Chemical Name>
Hiltonaphthol AS-HB

>  <dtpname:Chemical Name>
Hiltonaphthol AS-DB

>  <dtpname:Chemical Name>
Amanil Naphthol AS-DB

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 16

>  <dtpname:9th C.I.>
3-Dibenzofurancarboxamide, N-(2,5-dimethoxyphenyl)-2-hydroxy-

>  <dtpname:8th C.I.>
3-Dibenzofurancarboxanilide, 2-hydroxy-2',5'-dimethoxy-

$$$$
76350
  CML DOM 09261310112D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -9.6927    3.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6927   -1.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1562    2.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.8818    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.1809    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1562   -0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0245   -2.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7745   -4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
76350

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22N2O6

>  <Molecular Weight (nearest integer)>
398

$$$$
91340
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0245    3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   10.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9659   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4707    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
91340

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H22Cl2N2O2

>  <Molecular Weight (nearest integer)>
381

$$$$
99925
  CML DOM 09261310112D

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M  END
>  <NSC>
99925

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4153-21-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21NO6

>  <Molecular Weight (nearest integer)>
383

$$$$
117268
  CML DOM 09261310112D

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M  END
>  <NSC>
117268

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15ClN6O2S

>  <Molecular Weight (nearest integer)>
379

>  <dtpname:Chemical Name>
4-[4,6-Diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl]benzenesulfonamide

$$$$
401077
  CML DOM 09261310112D

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M  END
>  <NSC>
401077

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32675-71-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14N2O4

>  <Molecular Weight (nearest integer)>
334

$$$$
634396
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
634396

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15ClN2O2S

>  <Molecular Weight (nearest integer)>
347

>  <dtpname:Chemical Name>
2H-1,4-Benzothiazin-3(4H)-one, 2-[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]-

$$$$
5836
  CML DOM 09261310112D

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    0.3462   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
5836

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6281-67-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H18N2O3S2

>  <Molecular Weight (nearest integer)>
362

>  <dtpname:Chemical Name>
Usaf K-1565

>  <dtpname:Chemical Name>
1-(6-Sulfo-1-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine

>  <dtpname:Chemical Name>
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(6-sulfo-1-naphthyl)-4,4,6-trimethyl-

>  <dtpname:9th C.I.>
2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-

$$$$
16437
  CML DOM 09261310112D

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    1.6740    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4683   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9060   -7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288   -6.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 25  1  0  0  0  0
  2  8  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
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 18 25  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <NSC>
16437

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5449-83-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H16O4

>  <Molecular Weight (nearest integer)>
368

$$$$
34871
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.6202    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692    7.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9683    8.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692    6.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673    7.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9683    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673    6.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    2.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    2.6986    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1250    3.4486    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1740    1.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    5.6986    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5663    8.6986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5663   10.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8654   10.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673   10.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 17  1  0  0  0  0
  5  7  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
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 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
>  <NSC>
34871

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6277-59-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13AsN2O5

>  <Molecular Weight (nearest integer)>
364

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-34871

$$$$
50654
  CML DOM 09261310112D

 30 34  0  0  0  0  0  0  0  0999 V2000
  -12.5569   -8.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0934   -9.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0934  -11.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2745   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 25  1  0  0  0  0
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  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
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 11 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 28  1  0  0  0  0
 22 24  2  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
50654

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
86-19-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H18N2O3

>  <Molecular Weight (nearest integer)>
382

>  <dtpname:Chemical Name>
Azotol TCH

>  <dtpname:Chemical Name>
C.I. 37595

>  <dtpname:Chemical Name>
Brenthol GB

>  <dtpname:Chemical Name>
Naphtoelan SG

>  <dtpname:Chemical Name>
Naphtol AS-SG

>  <dtpname:Chemical Name>
Amarthol AS-SG

>  <dtpname:Chemical Name>
Naphthol AS-SG

>  <dtpname:Chemical Name>
Tulathol AS-SG

>  <dtpname:Chemical Name>
Naphtanilide SG

>  <dtpname:Chemical Name>
Cibanaphthol NS

>  <dtpname:Chemical Name>
Naphthanilid SR

>  <dtpname:Chemical Name>
Naphtol AS-SGLL

>  <dtpname:Chemical Name>
Naphtol AS-SG Supra

>  <dtpname:Chemical Name>
Naphtanilide SG-S50

>  <dtpname:Chemical Name>
Hiltonaphthol AS-SG

>  <dtpname:Chemical Name>
Amanil Naphthol AS-SG

>  <dtpname:Chemical Name>
Naphtholate AS-SG Soln.

>  <dtpname:9th C.I.>
11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxyphenyl)-

>  <dtpname:8th C.I.>
11H-Benzo[a]carbazole-3-carbox-p-anisidide, 2-hydroxy-

$$$$
78846
  CML DOM 09261310112D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    7.0468    4.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7165    2.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1184    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
78846

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H29N3O3

>  <Molecular Weight (nearest integer)>
359

$$$$
91355
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8726    2.5245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 25  1  0  0  0  0
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 15 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
91355

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25ClN2O2

>  <Molecular Weight (nearest integer)>
361

$$$$
100708
  CML DOM 09261310112D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    6.9510    6.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    6.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    5.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
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 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
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 16 25  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
100708

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H22F3NO

>  <Molecular Weight (nearest integer)>
385

$$$$
117987
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   -6.1202  -10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6335   -1.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
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  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
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 11 13  1  0  0  0  0
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 19 23  1  0  0  0  0
 20 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
117987

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H12O4S

>  <Molecular Weight (nearest integer)>
360

$$$$
403447
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 19 25  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <NSC>
403447

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7506-09-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H20N4

>  <Molecular Weight (nearest integer)>
304

$$$$
637153
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  -12.4413   -5.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
637153

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15BrO4

>  <Molecular Weight (nearest integer)>
327

$$$$
7419
  CML DOM 09261310112D

 21 21  0  0  0  0  0  0  0  0999 V2000
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   -6.8354   -2.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3718   -4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9817   -2.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670   -3.3191    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6699   -0.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7846    0.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433   -0.3846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980   -0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   -1.9285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393   -1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9540   -2.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009   -3.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156   -4.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
7419

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6284-49-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H15Cl5N2O

>  <Molecular Weight (nearest integer)>
393

>  <dtpname:Chemical Name>
N-[2-(Diethylamino)ethyl]-2-chloro-2-(tetrachloro-2,4-cyclopentadien-1-ylidene)acetamide

>  <dtpname:Chemical Name>
Acetamide, N-[2-(diethylamino)ethyl]-2-chloro-2-(tetrachloro-2,4-cyclopentadien-1-ylidene)-

>  <dtpname:Chemical Name>
WLN: L5YJ AUYGVM2N2&2 BG CG DG EG

>  <dtpname:9th C.I.>
Acetamide, 2-chloro-N-[2-(diethylamino)ethyl]-2-(2,3,4,5-tetrachloro-2,5-cyclopentadien-1-ylidene)-

$$$$
16736
  CML DOM 09261310112D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3163   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -9.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183  -11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -7.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
16736

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
530-07-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18O8

>  <Molecular Weight (nearest integer)>
362

>  <dtpname:Chemical Name>
Syringil

$$$$
36317
  CML DOM 09261310112D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.7697    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620   12.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620   13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
36317

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6276-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24N4O4

>  <Molecular Weight (nearest integer)>
384

$$$$
50688
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.9731   -3.6495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5711   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5711   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    5.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    6.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    5.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692   -0.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
50688

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4273-92-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16ClNO4

>  <Molecular Weight (nearest integer)>
358

>  <dtpname:Chemical Name>
C.I. 37555

>  <dtpname:Chemical Name>
Sanatol LC

>  <dtpname:Chemical Name>
Naphtazol LC

>  <dtpname:Chemical Name>
Naphtol AS-LC

>  <dtpname:Chemical Name>
Naphthol AS-LC

>  <dtpname:Chemical Name>
Naphtanilide LC

>  <dtpname:Chemical Name>
Naphtol AS-LCLL

>  <dtpname:Chemical Name>
C.I. Azoic Coupling Component 23

>  <dtpname:9th C.I.>
2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-

>  <dtpname:8th C.I.>
2-Naphthanilide, 4'-chloro-3-hydroxy-2',5'-dimethoxy-

$$$$
80137
  CML DOM 09261310112D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9731   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 27  1  1  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  6  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  1  0  0  0
 13 14  1  0  0  0  0
 13 30  1  6  0  0  0
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 15 16  2  0  0  0  0
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 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
80137

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
482-98-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H30N2O4

>  <Molecular Weight (nearest integer)>
386

>  <dtpname:Chemical Name>
Reserpinediol

>  <dtpname:Chemical Name>
Reserpic alcohol

$$$$
91356
  CML DOM 09261310112D

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   -1.0245    3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2649   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0688   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8630   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 25  1  0  0  0  0
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 12 13  1  0  0  0  0
 14 16  2  0  0  0  0
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 15 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
91356

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25ClN2O2

>  <Molecular Weight (nearest integer)>
361

$$$$
103331
  CML DOM 09261310112D

 25 26  0  0  0  0  0  0  0  0999 V2000
  -15.6599    5.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4062    3.5790    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1927    5.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0359    4.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5407    1.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8398    1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8398   -0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5407   -1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.0780    6.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7369    3.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
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  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
103331

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H20Cl2N4OS

>  <Molecular Weight (nearest integer)>
399

$$$$
118818
  CML DOM 09261310112D

 28 32  0  0  0  0  0  0  0  0999 V2000
    4.5111    5.4210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3232    2.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7649    5.0797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230    7.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8519    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3415    4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9804    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5896    4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3175    4.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3415    5.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5896    5.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0097    6.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0200    3.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5200    3.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0771    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  1 26  1  0  0  0  0
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  3 16  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
 10 13  1  0  0  0  0
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 11 12  1  0  0  0  0
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 20 22  2  0  0  0  0
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 24 25  2  0  0  0  0
 27 28  3  0  0  0  0
M  END
>  <NSC>
118818

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H19N3O2

>  <Molecular Weight (nearest integer)>
369

$$$$
622608
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
  -10.3300   -4.8942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7004   -4.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1733   -6.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1165   -4.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6899   -4.4761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8083   -3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6899   -2.0490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1165   -2.5126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -3.2626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -3.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2252   -7.8860    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
622608

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11N3OS2.BrH

>  <Molecular Weight (nearest integer)>
322

>  <dtpname:Chemical Name>
1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N,N-dimethyl-, monohydrobromide

$$$$
637317
  CML DOM 09261310112D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -7.4192   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
637317

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H15BrNO3P

>  <Molecular Weight (nearest integer)>
344

$$$$
9032
  CML DOM 09261310112D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 27 28  2  0  0  0  0
M  END
>  <NSC>
9032

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
632-89-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H20N2O

>  <Molecular Weight (nearest integer)>
364

>  <dtpname:9th C.I.>
Urea, tetraphenyl-

>  <dtpname:8th C.I.>
Urea, tetraphenyl-

$$$$
17355
  CML DOM 09261310112D

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M  END
>  <NSC>
17355

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5448-05-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H23NO5

>  <Molecular Weight (nearest integer)>
357

$$$$
36818
  CML DOM 09261310112D

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M  END
>  <NSC>
36818

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6266-74-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H30N6O2

>  <Molecular Weight (nearest integer)>
374

$$$$
57624
  CML DOM 09261310112D

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 26 28  1  0  0  0  0
M  END
>  <NSC>
57624

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6942-05-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H28N2O4

>  <Molecular Weight (nearest integer)>
384

$$$$
81463
  CML DOM 09261310112D

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  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
 21  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  1  0  0  0
 24 25  1  0  0  0  0
 24 28  1  1  0  0  0
 25 31  1  6  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
81463

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
83-60-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H28N2O5

>  <Molecular Weight (nearest integer)>
400

>  <dtpname:Chemical Name>
Reserpic acid

>  <dtpname:Chemical Name>
Reserpinolic acid

>  <dtpname:9th C.I.>
Yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-

>  <dtpname:8th C.I.>
3.beta.,20.alpha.-Yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-11,17.alpha.-dimethoxy-

$$$$
91357
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.7697    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1 25  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
91357

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25ClN2O2

>  <Molecular Weight (nearest integer)>
361

$$$$
107679
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
  -12.2173   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211   -6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6192   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9182   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3202   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3202   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9182   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6192   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -3.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -5.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5163   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2173   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9673   -3.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4673   -0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0211   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4230   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  1  0  0  0  0
  4 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <NSC>
107679

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
742-20-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18ClN3O4S2

>  <Molecular Weight (nearest integer)>
380

>  <dtpname:USAN>
Cyclopenthiazide

>  <dtpname:Chemical Name>
Salimid

>  <dtpname:Chemical Name>
Su-8341

>  <dtpname:Chemical Name>
Su 8341

>  <dtpname:Chemical Name>
Salimed

>  <dtpname:Chemical Name>
Navidrix

>  <dtpname:Chemical Name>
Navidrex

>  <dtpname:Chemical Name>
Navidreks

>  <dtpname:Chemical Name>
Salurilo-C

>  <dtpname:Chemical Name>
Ultra-Minzil

>  <dtpname:Chemical Name>
Ciba 8341-Su

>  <dtpname:Chemical Name>
Cyclometiazid

>  <dtpname:Chemical Name>
Cyclopentiazid

>  <dtpname:Chemical Name>
Cyclomethiazide

>  <dtpname:Chemical Name>
Tsiklometiazid (cyclomethiazide)

>  <dtpname:Chemical Name>
3-Cyclopentylmethyl hydrochlorothiazide deriv

>  <dtpname:Chemical Name>
6-Chloro-3-(cyclopentylmethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

>  <dtpname:Chemical Name>
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-,1,1-dioxide

>  <dtpname:Chemical Name>
WLN: T66 BSWM EM DHJ HG ISZW D1- AL5TJ

>  <dtpname:9th C.I.>
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxide

>  <dtpname:8th C.I.>
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxide

>  <dtpname:VAN>
Benesal

$$$$
120289
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.8928    4.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3928    4.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    5.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3928    6.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8928    6.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428    5.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6428    5.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245    4.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9510    4.5577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9510    6.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245    6.5212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428    5.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611    6.5212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    6.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    4.5577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611    4.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246    2.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6918    2.3557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209    1.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0609    2.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5937    2.3557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0646    1.5528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5318    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5355    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
120289

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N4O4S2

>  <Molecular Weight (nearest integer)>
390

>  <dtpname:Chemical Name>
Diethyl 5,5'-benzene-1,4-diylbis(1,2,3-thiadiazole-4-carboxylate)

$$$$
623109
  CML DOM 09261310112D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -8.8187    2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    0.4755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.5245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -4.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <NSC>
623109

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H13BrClN5

>  <Molecular Weight (nearest integer)>
307

$$$$
637325
  CML DOM 09261310112D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -7.4192   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -8.1495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -11.3163   -7.3995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -10.0173   -9.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -3.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4731   -6.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   9   1  10  -1
M  END
>  <NSC>
637325

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H15N2O5P

>  <Molecular Weight (nearest integer)>
310

$$$$
11668
  CML DOM 09261310112D

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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
11668

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14Cl2N6

>  <Molecular Weight (nearest integer)>
385

>  <dtpname:Chemical Name>
N4,N6-bis(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

$$$$
19061
  CML DOM 09261310112D

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 19 21  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <NSC>
19061

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6971-23-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14Cl2N6

>  <Molecular Weight (nearest integer)>
385

$$$$
37627
  CML DOM 09261310112D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 26 29  2  0  0  0  0
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 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
37627

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82-21-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H16O4

>  <Molecular Weight (nearest integer)>
392

>  <dtpname:Chemical Name>
1,5-Diphenoxyanthraquinone

>  <dtpname:Chemical Name>
WLN: L C666 BV IVJ DOR& KOR

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 1,5-diphenoxy-

>  <dtpname:8th C.I.>
Anthraquinone, 1,5-diphenoxy-

>  <dtpname:Czech Name>
1,5-Difenoxyanthrachinon

$$$$
63680
  CML DOM 09261310112D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
63680

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17745-24-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H24N6O

>  <Molecular Weight (nearest integer)>
376

$$$$
81915
  CML DOM 09261310112D

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M  END
>  <NSC>
81915

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5096-94-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10BrN5.H2O4S

>  <Molecular Weight (nearest integer)>
378

$$$$
91368
  CML DOM 09261310112D

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 24 26  1  0  0  0  0
M  END
>  <NSC>
91368

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25ClN2O3

>  <Molecular Weight (nearest integer)>
377

$$$$
111210
  CML DOM 09261310112D

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 26 28  1  0  0  0  0
M  END
>  <NSC>
111210

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H25ClN2O2

>  <Molecular Weight (nearest integer)>
397

$$$$
124818
  CML DOM 09261310112D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
124818

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8BrN3OS2

>  <Molecular Weight (nearest integer)>
354

$$$$
623638
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
623638

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22N2O3

>  <Molecular Weight (nearest integer)>
350

>  <dtpname:Chemical Name>
1H-Indole-2-acetic acid, .alpha.,1-dimethyl-3- [(6-methyl-3-pyridinyl)-carbonyl]-, ethyl ester

$$$$
651084
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   10.9800    1.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9800    3.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1936    4.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5639    3.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7207    2.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7774    4.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1477    3.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3613    4.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
651084

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N3O6

>  <Molecular Weight (nearest integer)>
347

>  <dtpname:Chemical Name>
1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino)- 2,3-dihydro-3-[methoxy(acetyloxy)]-7-methyl-

$$$$
11881
  CML DOM 09261310112D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.4707   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726    7.0245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   12.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4 16  1  0  0  0  0
  4  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 18  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
11881

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1249-97-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H23N3OS

>  <Molecular Weight (nearest integer)>
390

>  <dtpname:Chemical Name>
Benzoylleukomethylene blue

>  <dtpname:Chemical Name>
Methylene blue leucobenzoyl

>  <dtpname:Chemical Name>
N-Benzoylleucomethylene Blue

>  <dtpname:Chemical Name>
Benzoyl leuco methylene blue

>  <dtpname:Chemical Name>
10-Benzoyl-3,7-bis(dimethylamino)phenothiazine

>  <dtpname:Chemical Name>
3,7-Bis(dimethylamino)-10-benzoylphenothiazine

>  <dtpname:Chemical Name>
Phenothiazine, 10-benzoyl-3,7-bis(dimethylamino)-

>  <dtpname:9th C.I.>
10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-

$$$$
20192
  CML DOM 09261310112D

 27 26  0  0  0  0  0  0  0  0999 V2000
   -2.0787    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    0.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179    0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    0.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3879    0.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7112    0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9845   -0.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3078    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5812   -0.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9045    0.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1778   -0.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4884   -2.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3718   -1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1084    1.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0220    4.2331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164    2.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <NSC>
20192

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7252-31-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H39NO5

>  <Molecular Weight (nearest integer)>
386

$$$$
46075
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.6843   -6.3018    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    4.8479   -6.1532    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -1.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540   -2.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790   -2.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452   -4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878   -3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1118   -4.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220   -5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6843   -9.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1028   -9.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 10  1  0  0  0  0
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 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <NSC>
46075

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7519-37-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H20ClN3O2

>  <Molecular Weight (nearest integer)>
370

$$$$
65537
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  -10.0442   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1471  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 22  1  0  0  0  0
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 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <NSC>
65537

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N4O3S

>  <Molecular Weight (nearest integer)>
356

$$$$
84100
  CML DOM 09261310112D

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M  END
>  <NSC>
84100

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H20N2O2

>  <Molecular Weight (nearest integer)>
392

$$$$
91396
  CML DOM 09261310112D

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M  END
>  <NSC>
91396

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H25ClN2O2

>  <Molecular Weight (nearest integer)>
397

$$$$
114414
  CML DOM 09261310112D

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M  END
>  <NSC>
114414

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32039-48-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15N5O3S

>  <Molecular Weight (nearest integer)>
357

$$$$
126837
  CML DOM 09261310112D

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M  END
>  <NSC>
126837

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21079-01-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H21NO6S

>  <Molecular Weight (nearest integer)>
391

$$$$
131467
  CML DOM 09261310112D

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M  END
>  <NSC>
131467

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H18N2O4

>  <Molecular Weight (nearest integer)>
386

$$$$
159566
  CML DOM 09261310112D

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M  END
>  <NSC>
159566

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15BrO4

>  <Molecular Weight (nearest integer)>
351

>  <dtpname:Chemical Name>
2,5-Cyclohexadiene-1,4-dione, 2-(3-bromo-2,4,6-trimethylphenyl)-3,6-dihydroxy-5-methyl-

$$$$
204665
  CML DOM 09261310112D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
204665

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H22ClNO4

>  <Molecular Weight (nearest integer)>
376

$$$$
271923
  CML DOM 09261310112D

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M  CHG  2  14   1  15  -1
M  END
>  <NSC>
271923

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22982-78-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H21N3O2.CH4O3S

>  <Molecular Weight (nearest integer)>
359

>  <dtpname:Chemical Name>
N-[(6-Methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propan-2-amine methanesulfonate

$$$$
298892
  CML DOM 09261310112D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  19   1  20  -1
M  END
>  <NSC>
298892

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
76973-34-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H15N5O3

>  <Molecular Weight (nearest integer)>
373

$$$$
329065
  CML DOM 09261310112D

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  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
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M  END
>  <NSC>
329065

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H23N3O2S

>  <Molecular Weight (nearest integer)>
369

$$$$
637578
  CML DOM 09261310112D

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M  END
>  <NSC>
637578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
118112-10-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H15N5

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-637578

>  <dtpname:Chemical Name>
N-[3-(2-Pyridyl)isoquinolin-1-yl]-2-pyridinecarboxamidine

$$$$
177862
  CML DOM 09261310112D

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M  END
>  <NSC>
177862

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21NO4

>  <Molecular Weight (nearest integer)>
351

$$$$
60785
  CML DOM 09261310112D

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M  END
>  <NSC>
60785

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22847-86-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H33NO

>  <Molecular Weight (nearest integer)>
364

$$$$
216633
  CML DOM 09261310112D

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M  END
>  <NSC>
216633

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16Cl2N4O2

>  <Molecular Weight (nearest integer)>
391

$$$$
131616
  CML DOM 09261310112D

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  2  9  1  0  0  0  0
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 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
131616

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18374-18-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H26N2O3

>  <Molecular Weight (nearest integer)>
354

>  <dtpname:Chemical Name>
Isovincamine

$$$$
163639
  CML DOM 09261310112D

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M  END
>  <NSC>
163639

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
36110-11-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12Cl2N2O7S

>  <Molecular Weight (nearest integer)>
399

$$$$
214009
  CML DOM 09261310112D

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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <NSC>
214009

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H19FN4O

>  <Molecular Weight (nearest integer)>
362

$$$$
275266
  CML DOM 09261310112D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    8.2827    3.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
275266

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65176-88-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H22N2O6

>  <Molecular Weight (nearest integer)>
374

$$$$
309401
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
309401

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77681-42-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N6.2ClH

>  <Molecular Weight (nearest integer)>
377

>  <dtpname:Chemical Name>
7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine, 7-[(4-aminophenyl)methyl]-, dihydrochloride

>  <dtpname:Chemical Name>
2H-Pyrrolo[3,2-f]quinazoline-2,4(3H)-diamine, 3-[(3-aminophenyl)methyl]-, dihydrochloride

$$$$
338519
  CML DOM 09261310112D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  8 10  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 23  1  0  0  0  0
 19 20  3  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
M  END
>  <NSC>
338519

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H16F3N3

>  <Molecular Weight (nearest integer)>
355

$$$$
13487
  CML DOM 09261310112D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   -5.9462    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -15.0394    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
  1  9  1  0  0  0  0
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  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5  7  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 17 19  2  0  0  0  0
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 19 20  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
13487

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5431-11-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H26N2

>  <Molecular Weight (nearest integer)>
379

$$$$
275428
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -8.9574   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9574   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6583   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3593   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.5554   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0602   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2701   -0.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 17  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <NSC>
275428

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19N3O3.ClH

>  <Molecular Weight (nearest integer)>
362

>  <dtpname:Chemical Name>
NYBOMYCIN DERIV

>  <dtpname:Chemical Name>
Nybomycin deriv. hydrochloride

>  <dtpname:Chemical Name>
2H,4H-Oxazolo[5,4,3-ij]pyrido[3,2-g]quinoline-4,10(11H)-dione, 8-[(dimethylamino)methyl]-6,11-dimethyl-, monohydrochloride

$$$$
99867
  CML DOM 09261310112D

 27 31  0  0  0  0  0  0  0  0999 V2000
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   10.4775   -2.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
99867

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54807-07-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25N7

>  <Molecular Weight (nearest integer)>
363

$$$$
319709
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <NSC>
319709

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25N3S

>  <Molecular Weight (nearest integer)>
352

$$$$
134137
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -0.4693   -8.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  2  0  0  0  0
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  3 19  1  0  0  0  0
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M  END
>  <NSC>
134137

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65624-36-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13N3O5S

>  <Molecular Weight (nearest integer)>
371

$$$$
163823
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -16.1615    3.9834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.6663    1.7334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
163823

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9ClF3N5O

>  <Molecular Weight (nearest integer)>
356

$$$$
215721
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.6226  -13.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   -5.5245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
215721

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10BrClN2O2S

>  <Molecular Weight (nearest integer)>
386

$$$$
275971
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.2967    5.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
275971

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13ClN2O2S2

>  <Molecular Weight (nearest integer)>
365

$$$$
310354
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -0.4533    5.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <NSC>
310354

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H29N3OS

>  <Molecular Weight (nearest integer)>
372

$$$$
339161
  CML DOM 09261310112D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0299   -5.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <NSC>
339161

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66940-28-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H15ClN4O3

>  <Molecular Weight (nearest integer)>
395

$$$$
45572
  CML DOM 09261310112D

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M  END
>  <NSC>
45572

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6300-36-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N4O4S

>  <Molecular Weight (nearest integer)>
386

$$$$
280594
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
280594

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61966-08-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H17N6O7P

>  <Molecular Weight (nearest integer)>
400

>  <dtpname:USAN>
Triciribine phosphate

>  <dtpname:Chemical Name>
TRICIRIBINE PHOSPHATE

>  <dtpname:Chemical Name>
1,5-Dihydro-5-methyl-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-1,4,5,6,8-pentaazaacenaphthylen-3-amine

>  <dtpname:Chemical Name>
1,4,5,6,8-Pentaazaacenaphthalen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-

>  <dtpname:Chemical Name>
3-Amino-1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylene 5'-(dihydrogen phosphate)

>  <dtpname:9th C.I.>
1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-

$$$$
125095
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
M  END
>  <NSC>
125095

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
80789-71-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14FNO5S

>  <Molecular Weight (nearest integer)>
375

$$$$
622691
  CML DOM 09261310112D

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M  END
>  <NSC>
622691

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H11N3OS4

>  <Molecular Weight (nearest integer)>
317

>  <dtpname:Chemical Name>
Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazolidin- 3-ylidene]dimethyl-

$$$$
139168
  CML DOM 09261310112D

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M  END
>  <NSC>
139168

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
76-77-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H30O6

>  <Molecular Weight (nearest integer)>
390

>  <dtpname:Chemical Name>
Neoquassin

>  <dtpname:Chemical Name>
Neoquassine

>  <dtpname:Chemical Name>
Nigakihemiacetal B

>  <dtpname:Chemical Name>
Simalikahemiacetal A

>  <dtpname:9th C.I.>
Picrasa-2,12-diene-1,11-dione, 16-hydroxy-2,12-dimethoxy-

$$$$
164991
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
164991

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12Cl2N2O2S

>  <Molecular Weight (nearest integer)>
367

$$$$
216606
  CML DOM 09261310112D

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M  END
>  <NSC>
216606

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13BrFNO3

>  <Molecular Weight (nearest integer)>
354

$$$$
289359
  CML DOM 09261310112D

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M  END
>  <NSC>
289359

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16N2O5

>  <Molecular Weight (nearest integer)>
352

$$$$
317605
  CML DOM 09261310112D

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 21 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
317605

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34374-22-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22ClN3O

>  <Molecular Weight (nearest integer)>
368

>  <dtpname:Chemical Name>
11H-Indolo[3,2-c]quinolin-9-amine, 3-chloro-N,N-diethyl-8-methoxy-

>  <dtpname:Chemical Name>
3-Chloro-8-methoxy-9-diethylaminomethyl-11H-indolo[3,2-c]quinoline

>  <dtpname:9th C.I.>
1H-Indolo[3,2-c]quinoline-9-methanamine, 3-chloro-N,N-diethyl-8-methoxy-

$$$$
347463
  CML DOM 09261310112D

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M  END
>  <NSC>
347463

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60084-12-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15NO5S

>  <Molecular Weight (nearest integer)>
357

$$$$
56287
  CML DOM 09261310112D

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 19 20  1  0  0  0  0
M  END
>  <NSC>
56287

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7356-33-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7BrClN5O2S

>  <Molecular Weight (nearest integer)>
365

$$$$
321491
  CML DOM 09261310112D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
321491

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H15ClN2O2S

>  <Molecular Weight (nearest integer)>
383

$$$$
338042
  CML DOM 09261310112D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
M  END
>  <NSC>
338042

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21022-17-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H20N2O2

>  <Molecular Weight (nearest integer)>
392

$$$$
680495
  CML DOM 09261310112D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
680495

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10BrN3

>  <Molecular Weight (nearest integer)>
312

$$$$
151721
  CML DOM 09261310112D

 25 25  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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M  END
>  <NSC>
151721

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H26O7

>  <Molecular Weight (nearest integer)>
354

$$$$
166637
  CML DOM 09261310112D

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M  END
>  <NSC>
166637

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14Cl2F3N5O

>  <Molecular Weight (nearest integer)>
384

$$$$
217697
  CML DOM 09261310112D

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M  END
>  <NSC>
217697

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41208-07-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H30N2

>  <Molecular Weight (nearest integer)>
359

>  <dtpname:Chemical Name>
Quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-

>  <dtpname:9th C.I.>
Quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl-

$$$$
292140
  CML DOM 09261310112D

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M  END
>  <NSC>
292140

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61262-43-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H10Cl2N4O2

>  <Molecular Weight (nearest integer)>
373

$$$$
319435
  CML DOM 09261310112D

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M  END
>  <NSC>
319435

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17N3O3S

>  <Molecular Weight (nearest integer)>
367

$$$$
350187
  CML DOM 09261310112D

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M  END
>  <NSC>
350187

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
76105-55-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H25N2O5PS

>  <Molecular Weight (nearest integer)>
388

$$$$
88600
  CML DOM 09261310112D

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M  END
>  <NSC>
88600

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H21ClN2O2S

>  <Molecular Weight (nearest integer)>
377

$$$$
345845
  CML DOM 09261310112D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
345845

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71993-16-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H20N4

>  <Molecular Weight (nearest integer)>
364

$$$$
37219
  CML DOM 09261310112D

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M  END
>  <NSC>
37219

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7151-10-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H22O3

>  <Molecular Weight (nearest integer)>
358

$$$$
4292
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 22 24  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
>  <NSC>
4292

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5397-96-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H12N2O3S2

>  <Molecular Weight (nearest integer)>
380

>  <dtpname:Chemical Name>
1-(Naphthalen-2-yl)-2-(6-nitrobenzo[d]thiazol-2-ylthio)ethanone

$$$$
151888
  CML DOM 09261310112D

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  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
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M  END
>  <NSC>
151888

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H30N2O

>  <Molecular Weight (nearest integer)>
375

$$$$
191454
  CML DOM 09261310112D

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M  END
>  <NSC>
191454

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H17NO5

>  <Molecular Weight (nearest integer)>
363

$$$$
250429
  CML DOM 09261310112D

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 21 22  2  0  0  0  0
M  END
>  <NSC>
250429

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O6

>  <Molecular Weight (nearest integer)>
364

>  <dtpname:Chemical Name>
DODECAHYDRO-8''-HYDROXY-1'',6''-DIMETHYLDISPIRO[FURAN-3(2H),2'(5'H)-FURAN-5',5''-[5H-1,4A](METHANOXYMETHANO)NAPHTHALEN]-2,9''-DIONE

$$$$
292923
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
292923

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55171-63-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12BrNO3

>  <Molecular Weight (nearest integer)>
370

$$$$
319994
  CML DOM 09261310112D

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M  END
>  <NSC>
319994

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18N6O2

>  <Molecular Weight (nearest integer)>
362

$$$$
350625
  CML DOM 09261310112D

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M  END
>  <NSC>
350625

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41276-02-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H26N4O

>  <Molecular Weight (nearest integer)>
387

$$$$
106231
  CML DOM 09261310112D

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M  END
>  <NSC>
106231

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H24N2O2

>  <Molecular Weight (nearest integer)>
360

$$$$
407628
  CML DOM 09261310112D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
407628

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7499-60-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H14O3

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:9th C.I.>
1-Pyrenebutanoic acid, .gamma.-oxo-

>  <dtpname:8th C.I.>
1-Pyrenebutyric acid, .gamma.-oxo-

$$$$
88916
  CML DOM 09261310112D

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M  END
>  <NSC>
88916

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H31NOS

>  <Molecular Weight (nearest integer)>
370

>  <dtpname:Chemical Name>
10,13-dimethyl-17-(2-methyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

$$$$
62685
  CML DOM 09261310112D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -0.8171   -5.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7892   -5.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0883   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4902   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4902   -8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0882   -8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7892   -8.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3873   -8.7570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1373   -7.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6863   -9.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6373  -10.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747   -5.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5563   -4.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2848   -6.7795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
62685

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7253-04-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6Cl2N2O6S

>  <Molecular Weight (nearest integer)>
353

$$$$
154389
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.8726    1.9755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -2.5245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -7.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -7.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  7  2  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
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  4  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
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 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
154389

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H10Cl4N2

>  <Molecular Weight (nearest integer)>
396

$$$$
201863
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
  -16.3385   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.1423   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
201863

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H17Cl2NO

>  <Molecular Weight (nearest integer)>
370

>  <dtpname:Chemical Name>
N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide

$$$$
263220
  CML DOM 09261310112D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2990    3.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9461    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 19  1  0  0  0  0
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  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
263220

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1824-50-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14ClN3O4S2

>  <Molecular Weight (nearest integer)>
388

>  <dtpname:Chemical Name>
Behyd

>  <dtpname:Chemical Name>
Su-6227

>  <dtpname:Chemical Name>
Benzylhydrochlorothiazide

>  <dtpname:9th C.I.>
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(phenylmethyl)-, 1,1-dioxide

>  <dtpname:8th C.I.>
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-benzyl-6-chloro-3,4-dihydro-, 1,1-dioxide

$$$$
293962
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   -5.5228   -4.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8218   -6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  1  0  0  0  0
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  9 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <NSC>
293962

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H27N5O2S

>  <Molecular Weight (nearest integer)>
366

$$$$
320218
  CML DOM 09261310112D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    0.3045    6.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1979    8.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
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M  CHG  2  27   1  28  -1
M  END
>  <NSC>
320218

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H20N4O3

>  <Molecular Weight (nearest integer)>
388

$$$$
354261
  CML DOM 09261310112D

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M  END
>  <NSC>
354261

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67367-19-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H21N3O4

>  <Molecular Weight (nearest integer)>
355

$$$$
102314
  CML DOM 09261310112D

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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
102314

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5146-81-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H30O4

>  <Molecular Weight (nearest integer)>
358

$$$$
32984
  CML DOM 09261310112D

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M  END
>  <NSC>
32984

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
482-74-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H23NO5

>  <Molecular Weight (nearest integer)>
369

>  <dtpname:Chemical Name>
Cryptopin

>  <dtpname:Chemical Name>
CRYPTOPINE

>  <dtpname:Chemical Name>
Kryptopine

>  <dtpname:Chemical Name>
Cryptopine

>  <dtpname:Chemical Name>
Kryptocavin

>  <dtpname:Chemical Name>
Cryptocavine

>  <dtpname:9th C.I.>
Benzo[e]-1,3-dioxolo[4,5-l][2]benzazecin-12(5H)-one, 4,6,7,13-tetrahydro-9,10-dimethoxy-5-methyl-

>  <dtpname:8th C.I.>
Benzo[e]-1,3-dioxolo[4,5-l][2]benzazecin-12(5H)-one, 4,6,7,13-tetrahydro-9,10-dimethoxy-5-methyl-

$$$$
110300
  CML DOM 09261310112D

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M  END
>  <NSC>
110300

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N4O2S2

>  <Molecular Weight (nearest integer)>
358

$$$$
163443
  CML DOM 09261310112D

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M  END
>  <NSC>
163443

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H22N2O2

>  <Molecular Weight (nearest integer)>
394

$$$$
156565
  CML DOM 09261310112D

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M  END
>  <NSC>
156565

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71335-86-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H17NO4

>  <Molecular Weight (nearest integer)>
359

$$$$
204262
  CML DOM 09261310112D

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M  END
>  <NSC>
204262

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15Cl2N3O2S

>  <Molecular Weight (nearest integer)>
396

$$$$
270071
  CML DOM 09261310112D

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M  END
>  <NSC>
270071

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N5O3S2

>  <Molecular Weight (nearest integer)>
391

$$$$
295486
  CML DOM 09261310112D

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   11.1423    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
295486

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52736-85-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H15ClN2O

>  <Molecular Weight (nearest integer)>
359

>  <dtpname:9th C.I.>
Naphtho[1,2-b]phenazin-5(8H)-one, 6-chloro-8-ethyl-

$$$$
325014
  CML DOM 09261310112D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -9.2942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9952   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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 11 15  1  6  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
325014

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
72615-20-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H20Cl2N2O6

>  <Molecular Weight (nearest integer)>
383

>  <dtpname:Chemical Name>
BACTOBOLIN

>  <dtpname:Chemical Name>
BACTOBOLIN

>  <dtpname:Chemical Name>
Bactobolin

>  <dtpname:Chemical Name>
Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-

>  <dtpname:Chemical Name>
Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, [3S-[3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.]]-

>  <dtpname:9th C.I.>
Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl-, (3S-(3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.))-

$$$$
359472
  CML DOM 09261310112D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
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 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
M  END
>  <NSC>
359472

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H19N5O2

>  <Molecular Weight (nearest integer)>
361

$$$$
116702
  CML DOM 09261310112D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
116702

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H18N2O

>  <Molecular Weight (nearest integer)>
362

$$$$
54709
  CML DOM 09261310112D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
54709

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26013-82-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H35NO2

>  <Molecular Weight (nearest integer)>
370

$$$$
142335
  CML DOM 09261310112D

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M  END
>  <NSC>
142335

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H15ClN4O

>  <Molecular Weight (nearest integer)>
399

$$$$
327702
  CML DOM 09261310112D

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M  END
>  <NSC>
327702

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59851-31-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H15N3S

>  <Molecular Weight (nearest integer)>
353

$$$$
367306
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -6.5161   -1.0731    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1563   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
367306

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
83121-18-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H6Cl2F4N2O2

>  <Molecular Weight (nearest integer)>
381

$$$$
622689
  CML DOM 09261310112D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
622689

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10ClN3S2.BrH

>  <Molecular Weight (nearest integer)>
353

$$$$
13294
  CML DOM 09261310112D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 24 27  2  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
13294

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5450-03-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H15Cl3N2O

>  <Molecular Weight (nearest integer)>
430

$$$$
59620
  CML DOM 09261310112D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 27 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <NSC>
59620

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H36O4

>  <Molecular Weight (nearest integer)>
413

>  <dtpname:Chemical Name>
16.beta.,17.beta.-(1',2'-Cyclohex-4'-eno)-5.alpha.-androstane-3',12-dione, 3.beta.-hydroxy-5'-methyl-, acetate

>  <dtpname:Chemical Name>
(4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a,11b,12,13,13a- tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate

$$$$
107701
  CML DOM 09261310112D

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M  END
>  <NSC>
107701

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20029-36-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H21N3O2S

>  <Molecular Weight (nearest integer)>
416

$$$$
172255
  CML DOM 09261310112D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9027    1.1156    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9027   -1.8844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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  6 16  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
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  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
172255

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H23Cl2NO.CH4O3S

>  <Molecular Weight (nearest integer)>
424

>  <dtpname:Chemical Name>
RMI 81182 EF

>  <dtpname:Chemical Name>
Clobamine mesylate

$$$$
295358
  CML DOM 09261310112D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
295358

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
74179-81-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H18F6N6

>  <Molecular Weight (nearest integer)>
408

$$$$
335506
  CML DOM 09261310112D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
335506

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23256-09-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H21ClN2.C4H7NO3

>  <Molecular Weight (nearest integer)>
418

>  <dtpname:Chemical Name>
Closiramine aceturate

>  <dtpname:Chemical Name>
8-Chloro-11-[2-(dimethylamino)ethyl]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine compound with NSch 12169

>  <dtpname:9th C.I.>
Glycine, N-acetyl-, compd. with 8-chloro-6,11-dihydro-N,N-dimethyl-5H-benzo[5,6]cyclohepta[1,2-b]pyridine-11-ethanamine (1:1)

$$$$
36508
  CML DOM 09261310112D

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M  END
>  <NSC>
36508

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H30O8

>  <Molecular Weight (nearest integer)>
471

>  <dtpname:Chemical Name>
LIMONIN

>  <dtpname:Chemical Name>
Limonin

$$$$
73735
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M  END
>  <NSC>
73735

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52962-95-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H24N2O6

>  <Molecular Weight (nearest integer)>
485

>  <dtpname:Chemical Name>
B 3845

>  <dtpname:Chemical Name>
Redoxal

>  <dtpname:9th C.I.>
Benzoic acid, 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)diimino]bis-

$$$$
367469
  CML DOM 09261310112D

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M  END
>  <NSC>
367469

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16ClNO2S3

>  <Molecular Weight (nearest integer)>
362

$$$$
661122
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   -4.6147   13.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656   13.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6147    7.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6147    5.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0166    5.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3156    3.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7176    4.7571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 25 22  1  6  0  0  0
 23 24  1  0  0  0  0
 23 26  1  1  0  0  0
 24 27  1  1  0  0  0
M  END
>  <NSC>
661122

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26O5

>  <Molecular Weight (nearest integer)>
370

>  <dtpname:Chemical Name>
COSTATOLIDE

>  <dtpname:Chemical Name>
(-)-Calanolide B

$$$$
13791
  CML DOM 09261310112D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.8246    2.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108    7.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    7.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9638    8.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    5.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2628    7.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9638    5.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3657    5.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    5.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    5.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3657    3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2628    5.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3757    2.3221    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.3742    3.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4686    5.8096    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8304    5.0596    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4686    7.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5619    8.0596    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   10.8609    7.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3661    9.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 13  2  0  0  0  0
  6 21  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
>  <NSC>
13791

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5430-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11As2NO8

>  <Molecular Weight (nearest integer)>
447

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-13791

$$$$
70933
  CML DOM 09261310112D

 29 30  0  0  0  0  0  0  0  0999 V2000
  -15.0893   -8.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.8931   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5941   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9960   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8932   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1922   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5941   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1922   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8931   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2951   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9960   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5941   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5941   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2951   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4912   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.1431  -12.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.3931  -11.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8931  -11.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6431  -12.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6970   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 12  2  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  2  0  0  0  0
  3  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
70933

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5781-37-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19ClN2.C4H4O4

>  <Molecular Weight (nearest integer)>
415

>  <dtpname:USAN>
Cycliramine Maleate

>  <dtpname:USAN>
Cycliramine maleate

>  <dtpname:Chemical Name>
Sch 2544

>  <dtpname:Chemical Name>
Prolergic

>  <dtpname:Chemical Name>
4-(p-Chloro-.alpha.-2-pyridylbenzylidene)-1-methylpiperidine maleate (1:1)

>  <dtpname:Chemical Name>
Piperidine, 4-[p-chloro-.alpha.-(2-pyridyl)benzylidene]-1-methyl-, maleate

>  <dtpname:9th C.I.>
Pyridine, 2-[(4-chlorophenyl)(1-methyl-4-piperidinylidene)methyl]-, (Z)-2-butenedioate (1:1)

>  <dtpname:8th C.I.>
Piperidine, 4-(p-chloro-.alpha.-2-pyridylbenzylidene)-1-methyl-, maleate (1:1)

$$$$
123418
  CML DOM 09261310112D

 33 38  0  0  0  0  0  0  0  0999 V2000
   -1.6632   -0.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622    0.3409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398    0.3409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907   -1.7900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7907    1.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648    1.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9298    1.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9278   -0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398   -0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8748   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457   -0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457   -1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  CHG  2  31   1  32  -1
M  END
>  <NSC>
123418

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H23N3O7

>  <Molecular Weight (nearest integer)>
441

$$$$
201631
  CML DOM 09261310112D

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.4722    0.8252    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7397    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0387    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4406    0.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0387   -1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4406   -1.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2483    2.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  3  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  CHG  2  29   1  30  -1
M  END
>  <NSC>
201631

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H16N4O5S

>  <Molecular Weight (nearest integer)>
436

$$$$
305798
  CML DOM 09261310112D

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 25 26  1  0  0  0  0
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M  END
>  <NSC>
305798

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18F6N2O

>  <Molecular Weight (nearest integer)>
404

>  <dtpname:Chemical Name>
Piperidin-2-yl{2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl}methanol

$$$$
337832
  CML DOM 09261310112D

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 27 28  2  0  0  0  0
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 27 30  1  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
>  <NSC>
337832

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H20N6O3.C2H6O3S

>  <Molecular Weight (nearest integer)>
430

$$$$
37553
  CML DOM 09261310112D

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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
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 34 36  1  0  0  0  0
M  END
>  <NSC>
37553

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6954-49-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H28N4O2

>  <Molecular Weight (nearest integer)>
477

$$$$
80997
  CML DOM 09261310112D

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  6  8  1  0  0  0  0
  6 34  1  0  0  0  0
  6 37  1  6  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 33  1  1  0  0  0
  8 11  1  0  0  0  0
  8 38  1  6  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  1  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 31  1  1  0  0  0
 16 17  1  0  0  0  0
 17 21  2  0  0  0  0
 17 18  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 32  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <NSC>
80997

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14000-43-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H36N2O3

>  <Molecular Weight (nearest integer)>
473

>  <dtpname:Chemical Name>
2,3-(4',3'-Pyrazolo)pregna-4,6-dien-20-one, 11.beta.,17-dihydroxy-6,16.alpha.-dimethyl-2'-phenyl-

>  <dtpname:Chemical Name>
Ketone, 1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenylcyclopenta[7,8]phenanthro[2,3-c]pyrazol-1-yl methyl

$$$$
379388
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.5000    3.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    5.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    5.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2857    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6399    6.4224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    5.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7455    4.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7529    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7566    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7546    7.4261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2127    4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <NSC>
379388

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18FN3O2S

>  <Molecular Weight (nearest integer)>
359

$$$$
665497
  CML DOM 09261310112D

 27 31  0  0  0  0  0  0  0  0999 V2000
    3.6378   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9369    0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2359   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350    0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8340   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8340   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2359   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9369   -2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2112    0.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2113   -2.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8340   -4.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8340   -9.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1331   -6.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4321   -6.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
665497

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H16O7

>  <Molecular Weight (nearest integer)>
368

>  <dtpname:Chemical Name>
Furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxol-8-one, 6,9-dihydro-9-(3,4-dimethoxyphenyl)-

$$$$
30625
  CML DOM 09261310112D

 32 33  0  0  0  0  0  0  0  0999 V2000
   -5.3940    2.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0753    1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7566    0.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4769   -1.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815   -1.1354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794   -3.8858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585   -0.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6920    2.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    4.4634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4805   -2.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962   -2.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3363   -4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7902    0.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2822    2.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    2.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0072   -1.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627    2.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
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  4 22  1  0  0  0  0
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 12  5  1  1  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
 11  7  1  1  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <NSC>
30625

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
303-34-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H33NO7

>  <Molecular Weight (nearest integer)>
411

>  <dtpname:Chemical Name>
NCI-C01478

>  <dtpname:Chemical Name>
LASIOCARPINE

>  <dtpname:Chemical Name>
Heliotridine ester with lasiocarpum & angelic acid

>  <dtpname:Chemical Name>
WLN: T55 AN CUTJ D1OVXQXQ1 & 1 & Y1 & O1 FOVY1 & U2

>  <dtpname:9th C.I.>
2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, [1S-[1.alpha.(Z),7(2S*,3R*),7a.alpha.]]-

>  <dtpname:8th C.I.>
Lasiocarpine

$$$$
85433
  CML DOM 09261310112D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6077  -10.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558   -2.3827    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5539   -6.8827    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9558   -3.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568   -4.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548   -4.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9558   -6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114  -11.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786  -11.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077  -10.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0422  -10.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3577   -8.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
85433

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3562-84-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12Br2O3

>  <Molecular Weight (nearest integer)>
424

>  <dtpname:USAN>
Benzbromarone

>  <dtpname:Chemical Name>
L 2214

>  <dtpname:Chemical Name>
L-2214

>  <dtpname:Chemical Name>
Urinorm

>  <dtpname:Chemical Name>
Desuric

>  <dtpname:Chemical Name>
Exurate

>  <dtpname:Chemical Name>
Hipurik

>  <dtpname:Chemical Name>
Minuric

>  <dtpname:Chemical Name>
MJ 10061

>  <dtpname:Chemical Name>
Normurat

>  <dtpname:Chemical Name>
Uricovac

>  <dtpname:Chemical Name>
Benzbromaron

>  <dtpname:Chemical Name>
L 2214-Labaz

>  <dtpname:Chemical Name>
3,5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone

>  <dtpname:9th C.I.>
Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-

>  <dtpname:8th C.I.>
Ketone, 3,5-dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl

$$$$
123527
  CML DOM 09261310112D

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M  END
>  <NSC>
123527

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27486-83-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H21NO2S

>  <Molecular Weight (nearest integer)>
412

$$$$
204232
  CML DOM 09261310112D

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M  CHG  4  25   1  26  -1  28   1  29  -1
M  END
>  <NSC>
204232

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H14N4O6

>  <Molecular Weight (nearest integer)>
406

>  <dtpname:Chemical Name>
N,N'-bis(3-Nitrophenyl)benzene-1,3-dicarboxamide

$$$$
309874
  CML DOM 09261310112D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
309874

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H23ClN2OS

>  <Molecular Weight (nearest integer)>
447

>  <dtpname:Chemical Name>
3-Chloro-N-(2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)phenyl)benzo[b]thiophene-2-carboxamide

$$$$
373600
  CML DOM 09261310112D

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M  END
>  <NSC>
373600

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H27N3O6S

>  <Molecular Weight (nearest integer)>
401

>  <dtpname:Chemical Name>
Carbamic acid, 1-methylethyl-, (5-methyl-1H,3H-pyrrolo[1,2-c]thiazole-6,7-diyl)bis(methylene) ester, 2,2-dioxide

>  <dtpname:Chemical Name>
Carbamic acid, (1-methylethyl)-, (5-methyl-1H,3H-pyrrolo[1,2-c]thiazole-6,7-diyl)bis(methylene) ester, S,S-dioxide

$$$$
37641
  CML DOM 09261310112D

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M  END
>  <NSC>
37641

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3092-82-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H33FO6

>  <Molecular Weight (nearest integer)>
497

>  <dtpname:Chemical Name>
Tricinolone acetophenonide

>  <dtpname:9th C.I.>
Pregn-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-phenylethylidine)bis(oxy)]-, (11.beta.,16.alpha.)-

>  <dtpname:8th C.I.>
Pregn-1,4-diene-3,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-,cyclic 16,17-acetal with acetophenone

$$$$
103520
  CML DOM 09261310112D

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M  END
>  <NSC>
103520

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18814-03-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14Br2N6

>  <Molecular Weight (nearest integer)>
462

$$$$
379555
  CML DOM 09261310112D

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M  END
>  <NSC>
379555

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12ClN3O2S

>  <Molecular Weight (nearest integer)>
358

$$$$
670283
  CML DOM 09261310112D

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M  END
>  <NSC>
670283

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H24O2

>  <Molecular Weight (nearest integer)>
356

>  <dtpname:Chemical Name>
2,2'-Spirobi[2H-benz[f]indene]-5,5'-dione, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-

$$$$
41148
  CML DOM 09261310112D

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 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
41148

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6305-50-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22O8

>  <Molecular Weight (nearest integer)>
414

$$$$
89201
  CML DOM 09261310112D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -8.1962  -10.2236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.2765  -15.3062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <NSC>
89201

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2998-57-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H31Cl2NO3

>  <Molecular Weight (nearest integer)>
440

>  <dtpname:USAN>
Estramustine

>  <dtpname:Chemical Name>
Leo 275

>  <dtpname:Chemical Name>
RO 21-8837

>  <dtpname:Chemical Name>
ESTRAMUSTINE

>  <dtpname:Chemical Name>
Estradiol 3-[bis(2-chloroethyl)carbamate]

>  <dtpname:Chemical Name>
17.beta.-Estradiol 3-[bis(2-chloroethyl)carbamate]

>  <dtpname:Chemical Name>
Estra-1,3,5(10)-triene-3,17-diol, 3-[bis(2-chloroethyl)carbamate], (17.beta.)-

>  <dtpname:9th C.I.>
Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-[bis(2-chloroethyl)carbamate]

>  <dtpname:8th C.I.>
Estradiol, 3-[bis(2-chloroethyl)carbamate]

$$$$
127133
  CML DOM 09261310112D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.0245   -3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <NSC>
127133

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H18N2O4

>  <Molecular Weight (nearest integer)>
434

$$$$
215718
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.7370    8.8910    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.8484    6.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5879    7.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2898    5.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 15  1  0  0  0  0
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 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
215718

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13BrN2O2S

>  <Molecular Weight (nearest integer)>
401

$$$$
309892
  CML DOM 09261310112D

 28 31  0  0  0  0  0  0  0  0999 V2000
   14.1737   -1.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    4.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9265    0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8118    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4728   -3.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  3  0  0  0  0
M  END
>  <NSC>
309892

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H14ClN3O2S

>  <Molecular Weight (nearest integer)>
408

$$$$
376254
  CML DOM 09261310112D

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  8 11  1  0  0  0  0
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 30 31  2  0  0  0  0
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 30 33  1  0  0  0  0
M  END
>  <NSC>
376254

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21NO8S

>  <Molecular Weight (nearest integer)>
447

>  <dtpname:Chemical Name>
Indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl- 5-(methylsulfonyloxy)-5,6,6a,11a-tetrahydro- 2,3,8-trimethoxy-, cis-

$$$$
41400
  CML DOM 09261310112D

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M  END
>  <NSC>
41400

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H24AsN3O4

>  <Molecular Weight (nearest integer)>
493

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-41400

$$$$
107522
  CML DOM 09261310112D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  31   1  32  -1
M  END
>  <NSC>
107522

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H20Cl2N2O8

>  <Molecular Weight (nearest integer)>
499

$$$$
382035
  CML DOM 09261310112D

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  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
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 16 17  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
>  <NSC>
382035

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H22N6O2

>  <Molecular Weight (nearest integer)>
378

>  <dtpname:Chemical Name>
2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl) amino]-3-nitrophenyl]-

$$$$
672865
  CML DOM 09261310112D

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M  END
>  <NSC>
672865

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16F2NO4P

>  <Molecular Weight (nearest integer)>
367

$$$$
42199
  CML DOM 09261310112D

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  6  8  1  0  0  0  0
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M  END
>  <NSC>
42199

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25NO.CH4O3S

>  <Molecular Weight (nearest integer)>
404

$$$$
89821
  CML DOM 09261310112D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
89821

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2499-43-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H27ClN4O3

>  <Molecular Weight (nearest integer)>
407

$$$$
128606
  CML DOM 09261310112D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
128606

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27021-99-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H17NO5

>  <Molecular Weight (nearest integer)>
435

$$$$
221019
  CML DOM 09261310112D

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M  END
>  <NSC>
221019

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H24O8

>  <Molecular Weight (nearest integer)>
428

>  <dtpname:Chemical Name>
WORTMANNIN

>  <dtpname:Chemical Name>
2-Oxaandrosta-5,8-dieno[6,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-

$$$$
311153
  CML DOM 09261310112D

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M  CHG  2  18   1  25  -1
M  END
>  <NSC>
311153

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81531-60-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H28N3O.C2H3O2

>  <Molecular Weight (nearest integer)>
434

>  <dtpname:Chemical Name>
9-Hydroxy-2-(2-piperidinylethyl)ellipticinium acetate

>  <dtpname:Chemical Name>
6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-5,11-dimethyl-2-[2-(1-piperidinyl)ethyl]-, acetate

$$$$
379099
  CML DOM 09261310112D

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M  END
>  <NSC>
379099

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
84989-99-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13Cl2NO4

>  <Molecular Weight (nearest integer)>
402

$$$$
55691
  CML DOM 09261310112D

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M  END
>  <NSC>
55691

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7713-86-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H11Br2N3S2

>  <Molecular Weight (nearest integer)>
493

>  <dtpname:Chemical Name>
Thiazole, 2,2'-iminobis[4-(4-bromophenyl)-

$$$$
116339
  CML DOM 09261310112D

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M  END
>  <NSC>
116339

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5059-58-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H34O7

>  <Molecular Weight (nearest integer)>
459

$$$$
601359
  CML DOM 09261310112D

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M  END
>  <NSC>
601359

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H14BrNO2

>  <Molecular Weight (nearest integer)>
392

$$$$
1614
  CML DOM 09261310112D

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M  END
>  <NSC>
1614

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5399-41-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H42O5

>  <Molecular Weight (nearest integer)>
447

>  <dtpname:Chemical Name>
3.BETA.-HYDROXY-7,11-DIOXO-4,4,14-TRIMETHYL-5.ALPHA.-CHOLAN-24-OIC ACID

$$$$
53275
  CML DOM 09261310112D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  25   1  26  -1
M  END
>  <NSC>
53275

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H22N4O5

>  <Molecular Weight (nearest integer)>
434

$$$$
105584
  CML DOM 09261310112D

 30 31  0  0  0  0  0  0  0  0999 V2000
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 27 29  1  0  0  0  0
M  END
>  <NSC>
105584

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H26O9

>  <Molecular Weight (nearest integer)>
422

$$$$
136513
  CML DOM 09261310112D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    5.5359    5.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127    3.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
136513

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22600-28-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H18O8

>  <Molecular Weight (nearest integer)>
410

>  <dtpname:Chemical Name>
DIBENZOYLFURAN DERIV

>  <dtpname:8th C.I.>
Furan, 3-piperonyloyl-4-(3,4,5-trimethoxybenzoyl)-

$$$$
234348
  CML DOM 09261310112D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
234348

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54504-70-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H21ClN4O5

>  <Molecular Weight (nearest integer)>
421

>  <dtpname:Chemical Name>
ML 1024

>  <dtpname:Chemical Name>
Theofibrate

>  <dtpname:Chemical Name>
1-(Theophyllin-7-yl)ethyl-2-(2-(p-chlorophenoxy)-2-methylpropionate

>  <dtpname:Chemical Name>
2-(p-Chlorophenoxy)-2-methylpropionic acid 2-(7-theophyllinyl)ethyl ester

>  <dtpname:Chemical Name>
Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 2-(7-theophyllinyl)ethyl ester

>  <dtpname:9th C.I.>
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

>  <dtpname:German Name>
1-(Theophyllin-7-yl)athyl-2-(2-(p-chlorphenoxy)-2-methylpropionat

$$$$
321496
  CML DOM 09261310112D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
321496

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H31ClN2O

>  <Molecular Weight (nearest integer)>
411

$$$$
8675
  CML DOM 09261310112D

 35 36  0  0  0  0  0  0  0  0999 V2000
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   -4.3989  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0998  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5950   -1.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -10.8941   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1931   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  2  0  0  0  0
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  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
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 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  CHG  2   1  -1  31   1
M  END
>  <NSC>
8675

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2390-59-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H42N3.Cl

>  <Molecular Weight (nearest integer)>
492

>  <dtpname:Chemical Name>
C.I. 42600

>  <dtpname:Chemical Name>
Ethyl Violet

>  <dtpname:Chemical Name>
Ethyl violet

>  <dtpname:Chemical Name>
Basic Violet 4

>  <dtpname:Chemical Name>
Ethyl Violet AX

>  <dtpname:Chemical Name>
Ethyl Violet GGA

>  <dtpname:Chemical Name>
Shikiso Acid Brilliant Blue 6B

>  <dtpname:Chemical Name>
Ethyl Violet (Biological Stain)

>  <dtpname:9th C.I.>
Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride

>  <dtpname:8th C.I.>
C.I. Basic Violet 4

$$$$
64876
  CML DOM 09261310112D

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    2.9731   12.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  5 33  1  0  0  0  0
  6 18  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  2  0  0  0  0
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 14 16  1  0  0  0  0
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 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
64876

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6958-72-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H32Cl2N2O4

>  <Molecular Weight (nearest integer)>
495

$$$$
146771
  CML DOM 09261310112D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.2721    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    0.6495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.9731   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7673   -3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -5.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9635   -3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2625   -6.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2625   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -3.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4586   -6.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7577   -5.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7577   -3.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4587   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1596   -3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8606   -6.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
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 15 16  1  0  0  0  0
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 21 22  2  0  0  0  0
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 30 31  2  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
>  <NSC>
146771

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50440-30-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H20N6O3

>  <Molecular Weight (nearest integer)>
476

>  <dtpname:Chemical Name>
4-(6-nitroquinolin-4-ylamino)-N-(4-(pyridin-4-yl-amino)phenyl)benzamide

$$$$
603071
  CML DOM 09261310112D

 27 31  0  0  0  0  0  0  0  0999 V2000
  -15.2987    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1656   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8051   -0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0713    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.4835    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7432    2.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1230    1.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9899    0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2575    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7573    1.1476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <NSC>
603071

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
91421-43-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H17N3O4

>  <Molecular Weight (nearest integer)>
363

>  <dtpname:Chemical Name>
9-AC

>  <dtpname:Chemical Name>
9-AMINO-20(S)-CAMPTOTHECIN

>  <dtpname:Chemical Name>
9-AMINO-20-(S)-CAMPTOTHECIN

>  <dtpname:Chemical Name>
9-Amino-20-(S)-camptothecin

>  <dtpname:Chemical Name>
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (S)-

$$$$
5856
  CML DOM 09261310112D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.9140   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350   -2.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
5856

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H20N4O2S2

>  <Molecular Weight (nearest integer)>
449

$$$$
57608
  CML DOM 09261310112D

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M  END
>  <NSC>
57608

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H36N2O6

>  <Molecular Weight (nearest integer)>
401

$$$$
107582
  CML DOM 09261310112D

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M  CHG  2  17   1  18  -1
M  END
>  <NSC>
107582

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H7BrF3N3O4

>  <Molecular Weight (nearest integer)>
430

$$$$
156516
  CML DOM 09261310112D

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 27 30  2  0  0  0  0
M  END
>  <NSC>
156516

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13676-91-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H16O2S2

>  <Molecular Weight (nearest integer)>
425

>  <dtpname:Chemical Name>
1,8-Di(phenylthio)anthraquinone

>  <dtpname:Chemical Name>
Anthraquinone, 1,8-bis(phenylthio)-

>  <dtpname:Chemical Name>
1,8-Bis(phenylthio)-9,10-anthracenedione

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 1,8-bis(phenylthio)-

$$$$
280058
  CML DOM 09261310112D

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M  END
>  <NSC>
280058

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22O9

>  <Molecular Weight (nearest integer)>
430

$$$$
328087
  CML DOM 09261310112D

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M  END
>  <NSC>
328087

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H17Cl2N3O2

>  <Molecular Weight (nearest integer)>
414

$$$$
15910
  CML DOM 09261310112D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
15910

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61719-87-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H6Cl6O5S

>  <Molecular Weight (nearest integer)>
451

$$$$
67436
  CML DOM 09261310112D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
67436

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21696-20-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H23ClN6O2

>  <Molecular Weight (nearest integer)>
487

$$$$
166375
  CML DOM 09261310112D

 30 30  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
M  END
>  <NSC>
166375

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57981-56-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H25ClN2O.C6H13NO3S

>  <Molecular Weight (nearest integer)>
464

$$$$
607097
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -6.3093   -6.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1704   -3.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296   -3.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -2.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
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  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
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  9 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 18 19  3  0  0  0  0
 20 21  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <NSC>
607097

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H23N3O4

>  <Molecular Weight (nearest integer)>
357

>  <dtpname:Chemical Name>
DX-52-1

>  <dtpname:Chemical Name>
(+)-DX 52-1

>  <dtpname:Chemical Name>
Antibiotic DX-52-1

>  <dtpname:Chemical Name>
QUINOCARMYCIN ANALOG

>  <dtpname:Chemical Name>
Quinocarmycin analog

>  <dtpname:9th C.I.>
8,11-Iminoazepino[1,2-b]isoquinoline-10-carboxylic acid, 7-cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-, (5R,7R,8S,10R,11R,11aS)-

$$$$
12865
  CML DOM 09261310112D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -9.1772    2.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4763    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4763    0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1772   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8782    0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8782    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5792   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2801    0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2801    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0908   -2.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5075   -3.4904    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2982   -4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2849   -3.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 22  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
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 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
12865

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24N2O2.BrH

>  <Molecular Weight (nearest integer)>
405

>  <dtpname:Chemical Name>
Quinine, hydrobromide, hydrate

>  <dtpname:Chemical Name>
4-Quinolinemethanol, 6-methoxy-.alpha.-5-vinyl-2-quinuclidinyl hydrobromide

$$$$
58904
  CML DOM 09261310112D

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.7745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245   -2.3235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0017    0.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7745   -3.6226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7517    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0017    2.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2745    1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2995   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7995   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2745    1.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2517    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0017    2.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5017    2.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2517    1.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5017    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0017    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2745    6.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
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 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
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 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <NSC>
58904

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H21N3O5

>  <Molecular Weight (nearest integer)>
431

$$$$
107677
  CML DOM 09261310112D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    0.5882   -6.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7108   -6.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872   -6.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7108   -8.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5882   -9.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872  -11.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440  -12.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575  -10.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403  -14.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038  -15.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612  -11.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112  -13.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9711  -15.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748  -14.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3798  -11.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9211  -11.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8707  -15.0967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3079   -7.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
107677

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24N2.C4H4O4

>  <Molecular Weight (nearest integer)>
409

>  <dtpname:USAN>
Dimethindene maleate

>  <dtpname:USAN>
Dimethindene Malenate

>  <dtpname:Chemical Name>
Z 820

>  <dtpname:Chemical Name>
Triten

>  <dtpname:Chemical Name>
Su 6518

>  <dtpname:Chemical Name>
Su-6518

>  <dtpname:Chemical Name>
Fenistil

>  <dtpname:Chemical Name>
Fenistil-retard

>  <dtpname:Chemical Name>
Forhistal maleate

>  <dtpname:Chemical Name>
Forthistal maleate

>  <dtpname:Chemical Name>
Dimethinden maleate

>  <dtpname:Chemical Name>
Dimethpyrindene maleate

>  <dtpname:Chemical Name>
2-[1-[2-[2-(Dimethylamino)ethyl]inden-3-yl]ethyl]pyridine maleate (1:1)

>  <dtpname:9th C.I.>
1H-Indene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-, (Z)-2-butenedioate (1:1)

>  <dtpname:8th C.I.>
Pyridine, 2-[1-[2-[2-(dimethylamino)ethyl]inden-3-yl]ethyl]-, maleate (1:1)

$$$$
164676
  CML DOM 09261310112D

 29 30  0  0  0  0  0  0  0  0999 V2000
   11.6328   -1.8174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6365   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7741    0.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5309   -3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1410   -1.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6456   -4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9447   -3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7391    3.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0381    2.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3150   -3.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1410    3.0743    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8419    3.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8910    4.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5241    2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241    2.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741    3.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7741    3.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241    4.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741    5.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241    7.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3371    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
164676

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25N3O4S

>  <Molecular Weight (nearest integer)>
404

$$$$
290311
  CML DOM 09261310112D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -7.9242   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4184    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2242    1.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4245   -0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9919    0.6314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <NSC>
290311

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61589-53-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H36N2O2

>  <Molecular Weight (nearest integer)>
421

$$$$
328403
  CML DOM 09261310112D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.7533    2.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9260    3.1729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267   -2.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1683    3.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8692    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4673    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6400    3.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1024    3.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8692    1.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4673    1.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1025    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1683    0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401    0.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2752   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9892   -0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2752   -1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1025   -2.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1683   -0.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4363   -3.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5459    3.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1  2  1  1  0  0  0
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  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 17 18  2  0  0  0  0
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 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <NSC>
328403

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2730-82-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H25NO7

>  <Molecular Weight (nearest integer)>
427

>  <dtpname:Chemical Name>
Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10- tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

$$$$
19803
  CML DOM 09261310112D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.9514   13.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   13.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986   14.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7014   12.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7014   12.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   12.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486   13.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2986   14.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9514   10.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   10.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7986    4.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 24  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <NSC>
19803

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17912-87-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H20O12

>  <Molecular Weight (nearest integer)>
464

>  <dtpname:Chemical Name>
MYRICITRIN

>  <dtpname:Chemical Name>
Myricitrine

>  <dtpname:Chemical Name>
Myricitroside

>  <dtpname:Chemical Name>
Rhamnoside,myricetin-3

>  <dtpname:Chemical Name>
Myricetol 3-rhamnoside

>  <dtpname:Chemical Name>
Myricetin 3-rhamnoside

>  <dtpname:Chemical Name>
Myricetin 3-O-rhamnoside

>  <dtpname:Chemical Name>
Myricetin 3-O-L-rhamnoside

>  <dtpname:Chemical Name>
Myricetin 3-O-.alpha.-L-rhamnoside

>  <dtpname:Chemical Name>
Myricetin 3-O-.alpha.-L-rhamnopyranoside

>  <dtpname:Chemical Name>
Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnoside

>  <dtpname:Chemical Name>
4H-1-Benzopyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-

>  <dtpname:8th C.I.>
Myricitrin

$$$$
70931
  CML DOM 09261310112D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4036   11.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3320   11.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8092   11.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8190   13.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  7  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 30  1  1  0  0  0
  3 32  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  1  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  6  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  1  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  1  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <NSC>
70931

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H38O4

>  <Molecular Weight (nearest integer)>
451

>  <dtpname:Chemical Name>
CELASTROL

>  <dtpname:Chemical Name>
Celastrol

>  <dtpname:Chemical Name>
2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-

$$$$
168184
  CML DOM 09261310112D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.4846    6.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7837    4.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0827    6.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7837    7.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3817    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3817    7.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6808    9.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9798    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6808    6.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9798    7.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0827    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4846    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212   12.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212   12.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4712   11.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721   11.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7702   10.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    9.8541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856    4.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7837    8.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957    3.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5599    5.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2788    6.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5779    7.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 23  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
168184

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50866-24-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H18N6.2C2H6O3S

>  <Molecular Weight (nearest integer)>
467

$$$$
196515
  CML DOM 09261310112D

 38 37  0  0  0  0  0  0  0  0999 V2000
    2.2728   -8.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3518   -7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890   -6.0815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1566   -9.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937   -7.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9147   -7.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3537   -7.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9638   -8.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8727   -6.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2354   -5.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7272   -6.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914   -9.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334  -10.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7956   -8.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4816  -10.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060  -10.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -9.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381   -6.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3282   -6.5455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099   -5.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253   -4.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5889   -4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2260   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968   -1.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050   -1.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7785   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684    0.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2703   -0.9026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9421   -0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353  -17.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353  -17.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353  -18.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8362  -19.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353  -15.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8362  -14.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6353  -17.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3853  -15.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1  2  1  1  0  0  0
  2  5  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  9  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  6  0  0  0
 13 15  1  0  0  0  0
 14 18  1  6  0  0  0
 15 16  1  6  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <NSC>
196515

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
38562-01-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H34O5.C4H11NO3

>  <Molecular Weight (nearest integer)>
476

>  <dtpname:Chemical Name>
583E

>  <dtpname:Chemical Name>
U-14

>  <dtpname:Chemical Name>
U 14583

>  <dtpname:Chemical Name>
Ensaprost

>  <dtpname:Chemical Name>
Dinolytic

>  <dtpname:Chemical Name>
Zinoprost

>  <dtpname:Chemical Name>
Prostalmon F

>  <dtpname:Chemical Name>
PGF2.alpha. THAM

>  <dtpname:Chemical Name>
Dinoprost tromethamine

>  <dtpname:Chemical Name>
Prostaglandin F2.alpha. THAM

>  <dtpname:Chemical Name>
Panacelan F tromethamine salt

>  <dtpname:Chemical Name>
Enzaprost F compd. with trisamine

>  <dtpname:Chemical Name>
Dinoprost compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)

>  <dtpname:Chemical Name>
Prostin F2 alpha, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol(1:1)

>  <dtpname:Chemical Name>
5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-, THAM

>  <dtpname:Chemical Name>
Prostaglandin F2.alpha., compd. with 2-amino-2-hydroxymethyl-1,3-propanediol (1:1)

>  <dtpname:Chemical Name>
7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid, tromethamine salt

>  <dtpname:Chemical Name>
Prosta-5,13-dien-1-oic acid, (5Z,9.alpha.,11.alpha.,13E,15S)-9,11,15-trihydroxy- compd. with (trimethylolamino)methane

>  <dtpname:Chemical Name>
(E,Z)-(1R,2R,3R,5S)-7-[3,5-Dihydroxy-2-[(3S)-(3-hydroxy-1-octenyl)]cyclopentyl]-5-heptenoic acid compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)@component of Prostin F2 Alpha, injectable

>  <dtpname:Chemical Name>
WLN: L5TJ AQ B2U4VQ C1U1YQ5 DQ &Q1XZ1Q1Q

>  <dtpname:9th C.I.>
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9.alpha.,11.alpha.,13E,15S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)

$$$$
335979
  CML DOM 09261310112D

 34 36  0  0  0  0  0  0  0  0999 V2000
    5.4857    6.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9857    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    7.5315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2357    4.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858    3.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6205    2.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1059    2.4362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1479    3.5152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9630    1.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0420    0.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3664    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9896   -1.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6385    0.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5861   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2617   -2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    8.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7357    7.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9857    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7357    7.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9857    8.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2357    7.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2358   -0.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    4.9334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    2.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858    1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9857    3.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858    1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2358    2.3353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358    2.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4858    1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4858    3.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358    4.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9858    3.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
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  2 24  1  0  0  0  0
  4  5  2  0  0  0  0
  5 27  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <NSC>
335979

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53262-00-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H29N3O5

>  <Molecular Weight (nearest integer)>
452

$$$$
61610
  CML DOM 09261310112D

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  -19.6027   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3527   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 28  2  0  0  0  0
 27 30  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 40  1  0  0  0  0
 31 32  2  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 41  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <NSC>
61610

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H24N6O2

>  <Molecular Weight (nearest integer)>
549

>  <dtpname:Chemical Name>
1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide

$$$$
260594
  CML DOM 09261310112D

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  -18.9365   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1327   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1327   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8337   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  CHG  2  31   1  32  -1
M  END
>  <NSC>
260594

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H24N6O3

>  <Molecular Weight (nearest integer)>
505

>  <dtpname:Chemical Name>
Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene)amino]phenyl]-

>  <dtpname:Chemical Name>
Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene]amino]phenyl]-

$$$$
268251
  CML DOM 09261310112D

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 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <NSC>
268251

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67642-36-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H49N7O5

>  <Molecular Weight (nearest integer)>
576

>  <dtpname:Chemical Name>
4,6-DIDEOXY-4-[[[(14-METHYL-1-OXOPENTADECYL)AMINO]ACETYL]AMINO]-N-1H-PURIN-6-YL-.BETA.-L-GLUCOPYRANOSYLAMINE

>  <dtpname:Chemical Name>
.beta.-L-Glucopyranosylamine, 4,6-dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-yl-

$$$$
636717
  CML DOM 09261310112D

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    4.6471    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
636717

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14O2

>  <Molecular Weight (nearest integer)>
250

$$$$
645033
  CML DOM 09261310112D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.3494    5.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677    4.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7760    3.3152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7760    4.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8859    6.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9588    9.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3599    5.0868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 13 17  2  0  0  0  0
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 15 16  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
645033

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15Cl2N5

>  <Molecular Weight (nearest integer)>
372

>  <dtpname:Chemical Name>
Pyrimidine, 2-[1,5-bis(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]- 1,4,5,6-tetrahydro-

$$$$
203912
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.4683   -1.3995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.6005    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  22   1  23  -1
M  END
>  <NSC>
203912

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H8Cl4N2O4

>  <Molecular Weight (nearest integer)>
410

$$$$
146557
  CML DOM 09261310112D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
146557

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H18BrFN2OS

>  <Molecular Weight (nearest integer)>
481

$$$$
5907
  CML DOM 09261310112D

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 27 28  2  0  0  0  0
M  END
>  <NSC>
5907

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6281-85-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H18N2O2.2C2H4O2

>  <Molecular Weight (nearest integer)>
463

$$$$
211490
  CML DOM 09261310112D

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M  END
>  <NSC>
211490

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H24O7

>  <Molecular Weight (nearest integer)>
472

$$$$
342459
  CML DOM 09261310112D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
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M  END
>  <NSC>
342459

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67056-19-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H32N4O5

>  <Molecular Weight (nearest integer)>
469

$$$$
80731
  CML DOM 09261310112D

 35 38  0  0  0  0  0  0  0  0999 V2000
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   -4.9216  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 33 35  1  0  0  0  0
M  END
>  <NSC>
80731

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H20Cl2N4O3

>  <Molecular Weight (nearest integer)>
507

$$$$
345647
  CML DOM 09261310112D

 40 45  0  0  0  0  0  0  0  0999 V2000
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    8.5651   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 19  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 22 24  2  0  0  0  0
 22 30  1  0  0  0  0
 23 29  1  0  0  0  0
 23 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 39  1  0  0  0  0
 28 30  1  0  0  0  0
 28 40  1  0  0  0  0
 29 38  1  0  0  0  0
 30 37  1  0  0  0  0
M  END
>  <NSC>
345647

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H26O10

>  <Molecular Weight (nearest integer)>
547

>  <dtpname:Chemical Name>
CHAETOCHROMIN

>  <dtpname:Chemical Name>
Chaetochromin

>  <dtpname:Chemical Name>
[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-

>  <dtpname:Chemical Name>
[9,9'-bi-4H-Naphtho[2,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-

$$$$
330500
  CML DOM 09261310112D

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 14 17  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 35  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 20 28  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
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 22 25  1  0  0  0  0
 22 34  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <NSC>
330500

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73341-73-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H44N2O8

>  <Molecular Weight (nearest integer)>
561

>  <dtpname:Chemical Name>
MACBECIN II

>  <dtpname:Chemical Name>
Macbecin II

>  <dtpname:Chemical Name>
MACBECIN II

>  <dtpname:Chemical Name>
Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-O-methyl-

>  <dtpname:Chemical Name>
Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-o-methyl-, (6S,15R)-

>  <dtpname:9th C.I.>
2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.

>  <dtpname:9th C.I.>
Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-O-methyl-, (6S,15R)-

$$$$
637290
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
637290

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13NO2

>  <Molecular Weight (nearest integer)>
215

$$$$
13051
  CML DOM 09261310112D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  6  8  2  0  0  0  0
  6 27  1  0  0  0  0
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 11 17  2  0  0  0  0
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 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
13051

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5427-55-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H23ClN2O2

>  <Molecular Weight (nearest integer)>
407

$$$$
341196
  CML DOM 09261310112D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.9509    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   10.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
341196

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26N4O4

>  <Molecular Weight (nearest integer)>
410

$$$$
159242
  CML DOM 09261310112D

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M  END
>  <NSC>
159242

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H30O6

>  <Molecular Weight (nearest integer)>
463

$$$$
11667
  CML DOM 09261310112D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
11667

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14Br2N6

>  <Molecular Weight (nearest integer)>
474

$$$$
277184
  CML DOM 09261310112D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  18   1  19  -1
M  END
>  <NSC>
277184

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55078-51-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20N4O4.H2O4S

>  <Molecular Weight (nearest integer)>
454

>  <dtpname:Chemical Name>
1H-Inden-1-one, 6-[2-(dimethylamino)ethoxy]-2,3-dihydro-2-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-, sulfate (1:1)

$$$$
343256
  CML DOM 09261310112D

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 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <NSC>
343256

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77642-19-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H35NO5

>  <Molecular Weight (nearest integer)>
478

>  <dtpname:Chemical Name>
STUBOMYCIN

>  <dtpname:Chemical Name>
Stubomycin

>  <dtpname:Chemical Name>
HITACHIMYCIN

$$$$
80735
  CML DOM 09261310112D

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 37 38  1  0  0  0  0
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M  CHG  4  26   1  27  -1  37   1  38  -1
M  END
>  <NSC>
80735

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H20N6O7

>  <Molecular Weight (nearest integer)>
528

$$$$
354844
  CML DOM 09261310112D

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M  END
>  <NSC>
354844

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H28O9

>  <Molecular Weight (nearest integer)>
509

>  <dtpname:Chemical Name>
ALBACARCIN V

>  <dtpname:Chemical Name>
ALBACARCIN V

>  <dtpname:Chemical Name>
Albacarcin V

>  <dtpname:Chemical Name>
VIRENOMYCIN V

>  <dtpname:Chemical Name>
6H-Benzo[d]naphtho[1,2-b]pyran-6-one,4-(6-deoxy-3-C-methyl-.beta.-D-gulopyranosyl-8-ethenyl-1-hydroxy-10,12-dimethoxy-

>  <dtpname:Chemical Name>
6H-Benzo[d]naphtho[1,2-b]pyran-6-one, 4-(6-deoxy-3-C-methyl-.beta.-D-gulopyranosyl)-8-ethenyl-1-hydroxy-10,12-dimethoxy-

$$$$
7524
  CML DOM 09261310112D

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 20 22  1  0  0  0  0
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 31 33  2  0  0  0  0
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 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <NSC>
7524

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71-62-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C36H51NO11

>  <Molecular Weight (nearest integer)>
674

>  <dtpname:Chemical Name>
Veratrine

>  <dtpname:Chemical Name>
Veratridine

>  <dtpname:Chemical Name>
VERATRIDINE

>  <dtpname:Chemical Name>
3-Veratroylveracevine

>  <dtpname:Chemical Name>
4,9-Epoxycevane-3,4,12,14,16,17,20-heptol 3-(3,4-dimethoxybenzoate)

>  <dtpname:Chemical Name>
WLN: T J6 H6 E6 D5665/TC& 3ATU C& ON TX C&OTJ EQ GQ HQ IQ I1 M1 RQ U1 A&OVR CO1 DO1& B&Q

>  <dtpname:9th C.I.>
Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(3,4-dimethoxybenzoate), (3.beta.,4.alpha.,16.beta.)-

>  <dtpname:VAN>
Veratrine (amorphous)

$$$$
638080
  CML DOM 09261310112D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10 11  3  0  0  0  0
 12 13  2  0  0  0  0
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M  END
>  <NSC>
638080

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H8N2O4

>  <Molecular Weight (nearest integer)>
220

$$$$
109128
  CML DOM 09261310112D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 11  1  0  0  0  0
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 17 22  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
109128

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19459-60-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H37NO4

>  <Molecular Weight (nearest integer)>
416

$$$$
19970
  CML DOM 09261310112D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   -9.6182   -1.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8384   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 40  1  0  0  0  0
M  END
>  <NSC>
19970

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H34N2O7

>  <Molecular Weight (nearest integer)>
499

$$$$
310325
  CML DOM 09261310112D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 27 30  2  0  0  0  0
M  END
>  <NSC>
310325

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H22Cl2N2OS2

>  <Molecular Weight (nearest integer)>
502

$$$$
60339
  CML DOM 09261310112D

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M  END
>  <NSC>
60339

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70-09-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H23ClN6O2

>  <Molecular Weight (nearest integer)>
487

>  <dtpname:Chemical Name>
Wander

>  <dtpname:Chemical Name>
HR 2198

>  <dtpname:Chemical Name>
NSC 60339

>  <dtpname:9th C.I.>
1,4-Benzenedicarboxamide, 2-chloro-N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-

>  <dtpname:8th C.I.>
Terephthalanilide, 2-chloro-4',4''-di-2-imidazolin-2-yl-

$$$$
281816
  CML DOM 09261310112D

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M  END
>  <NSC>
281816

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24N2S2.C4H4O4

>  <Molecular Weight (nearest integer)>
473

>  <dtpname:Chemical Name>
Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (+)-, (Z)-2-butenedioate (1:1)

>  <dtpname:Chemical Name>
(.+-.)-Metitepine maleate, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (.+-.)-, (Z)-2-butenedioate (1:1)

$$$$
371178
  CML DOM 09261310112D

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M  END
>  <NSC>
371178

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
87447-30-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H33N5O3

>  <Molecular Weight (nearest integer)>
500

$$$$
83950
  CML DOM 09261310112D

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   -1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   10.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   14.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   14.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  1 15  1  0  0  0  0
  2 16  2  0  0  0  0
  2  7  1  0  0  0  0
  3 10  2  0  0  0  0
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  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 35  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 17 23  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 31  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <NSC>
83950

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3930-19-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H22N4O8

>  <Molecular Weight (nearest integer)>
506

>  <dtpname:USAN>
Streptonigrin

>  <dtpname:Chemical Name>
STP

>  <dtpname:Chemical Name>
Nigrin

>  <dtpname:Chemical Name>
NSC 45383

>  <dtpname:Chemical Name>
NSC-45383

>  <dtpname:Chemical Name>
5278 R. P.

>  <dtpname:Chemical Name>
AO50165L302

>  <dtpname:Chemical Name>
Bruneomycin

>  <dtpname:Chemical Name>
A 050165L302

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
Streptonigran

>  <dtpname:Chemical Name>
Rufocromomycin

>  <dtpname:Chemical Name>
Rufochromomycin

>  <dtpname:Chemical Name>
RUFOCHROMOMYCIN

>  <dtpname:Chemical Name>
Abbott Crystalline antibiotic

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces flocculus

>  <dtpname:Chemical Name>
5-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-6-(6-amino-5,8-dihydro-7-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:Chemical Name>
WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVQ

>  <dtpname:9th C.I.>
2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:8th C.I.>
Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:VAN>
SN

$$$$
654260
  CML DOM 09261310112D

 34 35  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -9.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.4413   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3481   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5442   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -20.2356   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  1  0  0  0  0
M  END
>  <NSC>
654260

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H21BrN6O4.ClH

>  <Molecular Weight (nearest integer)>
550

>  <dtpname:Chemical Name>
L-alanylaminophenylbenzoylurea

$$$$
122819
  CML DOM 09261310112D

 49 56  0  0  0  0  0  0  0  0999 V2000
   -7.6364   -0.1709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8402   11.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7244    1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4136   13.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    1.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3345    3.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705    3.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2481    5.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5833    6.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244   10.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9598    6.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3117    9.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4136   10.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3281    6.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7016    7.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8035    9.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8402   12.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4093    4.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0669    3.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5632    2.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1563    1.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3595    2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5832    1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1363   -0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951   15.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8869   15.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9057    4.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8984    4.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4115   15.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   12.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188   11.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4468    0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
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  2 28  1  0  0  0  0
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  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  8 33  1  0  0  0  0
  8 37  1  0  0  0  0
 30  9  1  6  0  0  0
  9 37  1  0  0  0  0
 22 10  1  6  0  0  0
 26 11  1  1  0  0  0
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 13 23  1  0  0  0  0
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 14 16  2  0  0  0  0
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 14 46  1  0  0  0  0
 15 18  2  0  0  0  0
 15 42  1  0  0  0  0
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 16 47  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 27  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 24 25  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 31  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 44  1  0  0  0  0
 36 37  1  0  0  0  0
 36 45  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 42 43  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <NSC>
122819

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29767-20-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H32O13S

>  <Molecular Weight (nearest integer)>
657

>  <dtpname:USAN>
Teniposide

>  <dtpname:Brand Name>
Vumon

>  <dtpname:Brand Name>
Vee M-26

>  <dtpname:Chemical Name>
VM 26

>  <dtpname:Chemical Name>
4'-Demethylepipodophyllotoxin thenylidene glucoside

>  <dtpname:Chemical Name>
4-Demethylepipodophyllotoxin-.beta.-D-thenylideneglucoside

>  <dtpname:Chemical Name>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.beta.)]-

>  <dtpname:Chemical Name>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.beta.)]-

>  <dtpname:Chemical Name>
PTG

>  <dtpname:Chemical Name>
EPT

>  <dtpname:Chemical Name>
Vehem

>  <dtpname:Chemical Name>
Veham-Sandoz

>  <dtpname:Chemical Name>
NSC122819

>  <dtpname:Chemical Name>
TENIPOSIDE

>  <dtpname:Chemical Name>
NSC 12819

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)]]-

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)]]-

>  <dtpname:8th C.I.>
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-.beta.-D-glucopyranoside)

>  <dtpname:8th C.I.>
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thienylidene-.beta.-D-glucopyranoside)

$$$$
638134
  CML DOM 09261310112D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
638134

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9NO3

>  <Molecular Weight (nearest integer)>
203

$$$$
163910
  CML DOM 09261310112D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.0491  -11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  CHG  8  20   1  21  -1  23   1  24  -1  27   1  28  -1  30   1  31  -1
M  END
>  <NSC>
163910

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6731-01-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H11N5O9

>  <Molecular Weight (nearest integer)>
441

$$$$
96021
  CML DOM 09261310112D

 34 39  0  0  0  0  0  0  0  0999 V2000
   -3.9701   -4.1174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430   -7.7193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
M  END
>  <NSC>
96021

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6159-99-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H45NO3

>  <Molecular Weight (nearest integer)>
456

>  <dtpname:Chemical Name>
Acetylsolasodine

>  <dtpname:Chemical Name>
Solasod-5-en-3.beta.-ol, acetate (ester)

>  <dtpname:9th C.I.>
Spirosol-5-en-3-ol, acetate (ester), (3.beta.,22.alpha.,25R)-

>  <dtpname:8th C.I.>
Solasodine, acetate (ester)

$$$$
308835
  CML DOM 09261310112D

 36 41  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
M  END
>  <NSC>
308835

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
78045-48-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H32N2O4

>  <Molecular Weight (nearest integer)>
485

>  <dtpname:Chemical Name>
8-[4-[4-(7,9-dioxo-8-azaspiro[4.4]nonan-8-yl)-3-methylphenyl]- 2-methylphenyl]-8-azaspiro[4.4]nonane-7,9-dione

$$$$
639174
  CML DOM 09261310112D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
639174

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H20N4O5.ClH

>  <Molecular Weight (nearest integer)>
457

>  <dtpname:Chemical Name>
9-Glycineamido-20(S)-camptothecin.HCl

$$$$
292253
  CML DOM 09261310112D

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M  END
>  <NSC>
292253

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56748-60-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21NO5.CH4O3S

>  <Molecular Weight (nearest integer)>
464

$$$$
379696
  CML DOM 09261310112D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
379696

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16Cl2N4O4S2

>  <Molecular Weight (nearest integer)>
499

$$$$
91529
  CML DOM 09261310112D

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M  END
>  <NSC>
91529

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1182-34-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H24O12

>  <Molecular Weight (nearest integer)>
516

>  <dtpname:Chemical Name>
CYN

>  <dtpname:Chemical Name>
Cynarin

>  <dtpname:Chemical Name>
Plemocil

>  <dtpname:Chemical Name>
Cinarcaf

>  <dtpname:Chemical Name>
Cinarine

>  <dtpname:Chemical Name>
Cynarine

>  <dtpname:Chemical Name>
Listrocol

>  <dtpname:Chemical Name>
Nivellipid

>  <dtpname:Chemical Name>
1,4-Dicaffeylquinic acid

>  <dtpname:Chemical Name>
3,4-Dihydrocinnamic acid, 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester

>  <dtpname:9th C.I.>
Cyclohexanecarboxylic acid, 1,4-bis[[3-(3,4-dihydroxyphenyl) -1-oxo-2-propenyl]oxy]-3,5-dihydroxy-, (1.alpha.,3.alpha.,4.alpha.,5.beta.)-

>  <dtpname:8th C.I.>
Cinnamic acid, 3,4-dihydroxy-,1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester

$$$$
679525
  CML DOM 09261310112D

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M  END
>  <NSC>
679525

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
106674-03-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H20N2O8S

>  <Molecular Weight (nearest integer)>
533

>  <dtpname:Chemical Name>
Benzyl 7-(Methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate

$$$$
227186
  CML DOM 09261310112D

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 47 49  1  0  0  0  0
M  END
>  <NSC>
227186

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39868-96-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C35H37ClN2O11

>  <Molecular Weight (nearest integer)>
697

>  <dtpname:Chemical Name>
RP 18631

>  <dtpname:Chemical Name>
18 631 R.P.

>  <dtpname:Chemical Name>
Clorobiocin

>  <dtpname:Chemical Name>
CHLOROBIOCIN

>  <dtpname:Chemical Name>
Chlorobiocin

$$$$
643150
  CML DOM 09261310112D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
643150

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N2O

>  <Molecular Weight (nearest integer)>
222

>  <dtpname:Chemical Name>
.alpha.-Benzoyl-.beta.-(2-pyrryl)acrylonitrile

$$$$
378719
  CML DOM 09261310112D

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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  2  0  0  0  0
 13 14  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 27  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
378719

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H15Cl2NO4

>  <Molecular Weight (nearest integer)>
404

$$$$
3391
  CML DOM 09261310112D

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 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <NSC>
3391

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5327-71-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H26N2O4.C7H13NO3

>  <Molecular Weight (nearest integer)>
554

$$$$
380802
  CML DOM 09261310112D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   -6.7697  -10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -8.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  24   1  25  -1
M  END
>  <NSC>
380802

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17N5O3

>  <Molecular Weight (nearest integer)>
363

$$$$
317003
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
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  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
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 18 20  1  0  0  0  0
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M  END
>  <NSC>
317003

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
80568-29-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20N2O2S.HI

>  <Molecular Weight (nearest integer)>
456

>  <dtpname:Chemical Name>
9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-methyl-,monohydriodide

>  <dtpname:Chemical Name>
9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-methyl-, monohydriodide

$$$$
31762
  CML DOM 09261310112D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 16 22  1  0  0  0  0
M  END
>  <NSC>
31762

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17I2NO

>  <Molecular Weight (nearest integer)>
529

$$$$
133071
  CML DOM 09261310112D

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   -0.8457    2.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9485   16.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6495   14.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2183   14.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2183   11.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
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  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <NSC>
133071

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24ClN5O2.C2H6O3S

>  <Molecular Weight (nearest integer)>
512

>  <dtpname:Chemical Name>
Ethanesulfonic acid, compd. with 4,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)

>  <dtpname:Chemical Name>
Ethanesulfonic acid, compd. with 1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine (1:1)

$$$$
727038
  CML DOM 09261310112D

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 11 30  1  6  0  0  0
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 12 18  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 37  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 23  1  1  0  0  0
 18 22  1  0  0  0  0
 18 27  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 25 26  3  0  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
>  <NSC>
727038

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H43N3O3

>  <Molecular Weight (nearest integer)>
542

>  <dtpname:Chemical Name>
CDDO-Im

>  <dtpname:Chemical Name>
Oleana-1,9(11)-dien-28-oic acid imidazolide, 2-cyano-3,12-dioxo-

$$$$
19990
  CML DOM 09261310112D

 56 59  0  0  0  0  0  0  0  0999 V2000
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    6.9888  -14.2573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2202  -15.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 51  1  0  0  0  0
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 15 38  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 23  1  0  0  0  0
 18 35  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 52  1  0  0  0  0
 22 26  1  0  0  0  0
 22 50  1  0  0  0  0
 23 27  1  0  0  0  0
 23 37  1  0  0  0  0
 24 28  1  0  0  0  0
 24 56  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 44  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
M  END
>  <NSC>
19990

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23344-17-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H51NO14

>  <Molecular Weight (nearest integer)>
770

>  <dtpname:Chemical Name>
STREPTOVARICIN C

>  <dtpname:Chemical Name>
Streptovaricin C

>  <dtpname:Chemical Name>
Dalacin C (Antibiotic 101a-3)

>  <dtpname:Chemical Name>
Streptovaricin complex, fraction c

>  <dtpname:9th C.I.>
Streptovaricinoic acid, methyl ester

>  <dtpname:8th C.I.>
6,9:23,24a-Dimethano-24aH-m-dioxino[4,5,6-st][4]benzazacycloheneicosine-7,11,26(10H,16H)-trione, 17,18,19,20,21,22,23,24-octahydro-5,17,19,21,25-hexahydroxy-24-(2-hydroxypropenyl)-23-methoxy-4,8,12,16,18,22,24-heptamethyl-, 24-acetate

$$$$
645987
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M  END
>  <NSC>
645987

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N4O2

>  <Molecular Weight (nearest integer)>
242

>  <dtpname:Chemical Name>
1,4-Benzenediol, 2,5-bis(1-pyrazolyl)-

$$$$
30663
  CML DOM 09261310112D

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M  END
>  <NSC>
30663

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H32N2O2

>  <Molecular Weight (nearest integer)>
405

$$$$
65238
  CML DOM 09261310112D

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M  END
>  <NSC>
65238

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H31N.C7H6O2

>  <Molecular Weight (nearest integer)>
408

$$$$
121868
  CML DOM 09261310112D

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M  END
>  <NSC>
121868

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25998-70-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H26N2O2

>  <Molecular Weight (nearest integer)>
423

$$$$
319990
  CML DOM 09261310112D

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 22 24  1  0  0  0  0
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 24 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <NSC>
319990

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H18N6O2S2

>  <Molecular Weight (nearest integer)>
475

$$$$
45383
  CML DOM 09261310112D

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 36 37  1  0  0  0  0
M  END
>  <NSC>
45383

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3930-19-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H22N4O8

>  <Molecular Weight (nearest integer)>
506

>  <dtpname:USAN>
Streptonigrin

>  <dtpname:Chemical Name>
STP

>  <dtpname:Chemical Name>
Nigrin

>  <dtpname:Chemical Name>
NSC 45383

>  <dtpname:Chemical Name>
NSC-45383

>  <dtpname:Chemical Name>
5278 R. P.

>  <dtpname:Chemical Name>
AO50165L302

>  <dtpname:Chemical Name>
Bruneomycin

>  <dtpname:Chemical Name>
A 050165L302

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
Streptonigran

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
Rufocromomycin

>  <dtpname:Chemical Name>
Rufochromomycin

>  <dtpname:Chemical Name>
Abbott Crystalline antibiotic

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces flocculus

>  <dtpname:Chemical Name>
5-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-6-(6-amino-5,8-dihydro-7-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:Chemical Name>
WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVQ

>  <dtpname:9th C.I.>
2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:8th C.I.>
Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:VAN>
SN

$$$$
139105
  CML DOM 09261310112D

 36 37  0  0  0  0  0  0  0  0999 V2000
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <NSC>
139105

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41191-04-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25ClN6O2.C2H6O3S

>  <Molecular Weight (nearest integer)>
539

>  <dtpname:Chemical Name>
TZT

>  <dtpname:Chemical Name>
BAF

>  <dtpname:Chemical Name>
TRIAZINATE

>  <dtpname:Chemical Name>
Triazinate

>  <dtpname:Chemical Name>
NSC 139105

>  <dtpname:Chemical Name>
Baker's Antifol soluble

>  <dtpname:Chemical Name>
Ethanesulfonic acid, compd. with .alpha.-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-phenoxy]-N,N-dimethyl-m-toluamide

>  <dtpname:9th C.I.>
Ethanesulfonic acid, compd. with 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1)

$$$$
143491
  CML DOM 09261310112D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   -4.1341   -1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569   -1.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -3.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5755   -1.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8947  -11.5586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 10  2  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
 19  4  1  6  0  0  0
  4 27  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6 16  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  0  0  0  0
  9 37  1  6  0  0  0
 10 11  1  0  0  0  0
 11 17  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 31  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 35 36  1  0  0  0  0
 35 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
143491

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34610-60-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H30N2O10.ClH

>  <Molecular Weight (nearest integer)>
579

>  <dtpname:Chemical Name>
Daunomycin 3-oxime hydrochloride

>  <dtpname:Chemical Name>
Daunorubicin oxime hydrochloride

>  <dtpname:Chemical Name>
Daunomycin, 3-oxime, monohydrochloride, sesquihydrate

>  <dtpname:9th C.I.>
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[1-(hydroxyimino)ethyl]-1-methoxy-, monohydrochloride, (8S-cis)-

>  <dtpname:8th C.I.>
Daunomycin, 3-oxime, monohydrochloride

$$$$
605333
  CML DOM 09261310112D

 16 19  0  0  0  0  0  0  0  0999 V2000
   -8.3820   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6810   -4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6810   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3820   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0829   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0829   -4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -4.6771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747   -3.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6563   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747   -1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
605333

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9NS

>  <Molecular Weight (nearest integer)>
223

$$$$
5053
  CML DOM 09261310112D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.7800    4.0695    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    7.9408    1.2965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1908   -0.0025    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.4080    0.9847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1945   -1.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5648   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8639   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1629   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4619   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4619   -2.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8639   -2.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1629   -3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    3.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6023    5.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307    2.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389    2.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1105    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2288    4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6990   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8173    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0889   -1.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -1.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7155   -0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
>  <NSC>
5053

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
298-96-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H15N4.Cl

>  <Molecular Weight (nearest integer)>
335

>  <dtpname:Chemical Name>
TT

>  <dtpname:Chemical Name>
RT

>  <dtpname:Chemical Name>
TTC

>  <dtpname:Chemical Name>
PTB

>  <dtpname:Chemical Name>
TPTZ

>  <dtpname:Chemical Name>
Urocheck

>  <dtpname:Chemical Name>
Uroscreen

>  <dtpname:Chemical Name>
Vitastain

>  <dtpname:Chemical Name>
Red tetrazolium

>  <dtpname:Chemical Name>
Tetrazolium chloride

>  <dtpname:Chemical Name>
Triphenyltetrazolium chloride

>  <dtpname:Chemical Name>
2,3,5-Triphenyltetrazolium chloride

>  <dtpname:Chemical Name>
1,3,5-Triphenyltetrazolium chloride

>  <dtpname:Chemical Name>
1,3,5-Triphenyl-2H-tetrazolium chloride

>  <dtpname:Chemical Name>
2,3,5-Triphenyl-2H-tetrazolium chloride

>  <dtpname:9th C.I.>
2H-Tetrazolium, 2,3,5-triphenyl-, chloride

>  <dtpname:8th C.I.>
2H-Tetrazolium, 2,3,5-triphenyl-, chloride

$$$$
222365
  CML DOM 09261310112D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -5.9462    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981    6.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    8.2500    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    9.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
222365

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23617-57-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17AsCl2O5

>  <Molecular Weight (nearest integer)>
435

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-222365

$$$$
166259
  CML DOM 09261310112D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.3481   -9.3742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -10.8742    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -4.8742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -4.8742    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -4.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -7.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -7.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -8.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -6.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -7.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -9.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -8.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -11.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -10.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -13.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -11.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -13.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -13.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442   -7.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3433   -8.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442   -5.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7452   -8.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7452   -9.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442  -10.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3433   -9.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442  -11.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -8.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -4.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  1 30  1  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 32  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <NSC>
166259

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17ClN2OS.1/2C4H6O4

>  <Molecular Weight (nearest integer)>
416

$$$$
143241
  CML DOM 09261310112D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.7673   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
143241

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7630-72-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H25NO6

>  <Molecular Weight (nearest integer)>
411

>  <dtpname:Chemical Name>
Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro- 1,2,9,10-tetramethoxy-, ethyl ester

$$$$
322661
  CML DOM 09261310112D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2256    9.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    6.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8237    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8237    9.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    9.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1228    6.8236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218    9.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1228    9.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    9.8236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    5.3236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7208    6.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9708    5.5246    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4708    8.1227    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0199    6.0736    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1228   11.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8237   12.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218   12.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0199   12.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0199   13.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7208   14.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218   13.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7208   11.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0001    1.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489    3.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247   11.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <NSC>
322661

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15Cl2F3N2O.CH4O3S

>  <Molecular Weight (nearest integer)>
475

>  <dtpname:Chemical Name>
(6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl)-(piperidin-2-yl)methanol, methane sulfonic acid

$$$$
45384
  CML DOM 09261310112D

 38 41  0  0  0  0  0  0  0  0999 V2000
    4.8211    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   10.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   14.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   14.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  1 15  1  0  0  0  0
  2 16  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
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  6  8  2  0  0  0  0
  6 36  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 17 23  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 31  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <NSC>
45384

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3398-48-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H24N4O8

>  <Molecular Weight (nearest integer)>
521

>  <dtpname:Chemical Name>
NSC-54384

>  <dtpname:Chemical Name>
NSC-45384

>  <dtpname:Chemical Name>
Methyl streptonigrin

>  <dtpname:Chemical Name>
Streptonigrin methyl ester

>  <dtpname:Chemical Name>
STREPTONIGRIN, METHYL ESTER

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-6-(6-amino-5,8-dihydro-7-methoxy-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester

>  <dtpname:Chemical Name>
WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVO1

>  <dtpname:9th C.I.>
2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester

>  <dtpname:8th C.I.>
Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester

>  <dtpname:VAN>
MES

$$$$
202386
  CML DOM 09261310112D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   -1.6740    0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.8606    7.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 36  1  0  0  0  0
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 33 34  1  0  0  0  0
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 36 37  2  0  0  0  0
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M  CHG  4  29   1  30  -1  33   1  34  -1
M  END
>  <NSC>
202386

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53221-75-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H19N7O5

>  <Molecular Weight (nearest integer)>
521

$$$$
177365
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M  CHG  2  30   1  31  -1
M  END
>  <NSC>
177365

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63345-17-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H23N7O4S.2ClH

>  <Molecular Weight (nearest integer)>
566

>  <dtpname:9th C.I.>
1-Propanesulfonamide, 3-[(aminoiminomethyl)amino]-N-[4-[(3-nitro-9-acridinyl)amino]phenyl]-, dihydrochloride

$$$$
622175
  CML DOM 09261310112D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
622175

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9N5O

>  <Molecular Weight (nearest integer)>
203

>  <dtpname:Chemical Name>
Adenallene

>  <dtpname:Chemical Name>
N(sup9)-(4-Hydroxy-1,2-butadien-1-yl)adenine

$$$$
683648
  CML DOM 09261310112D

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M  END
>  <NSC>
683648

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7ClN4O2

>  <Molecular Weight (nearest integer)>
251

>  <dtpname:Chemical Name>
Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-

$$$$
158413
  CML DOM 09261310112D

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 25 28  1  0  0  0  0
M  END
>  <NSC>
158413

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31242-01-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H13ClFNO2S2

>  <Molecular Weight (nearest integer)>
430

$$$$
168027
  CML DOM 09261310112D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   -5.2523   -1.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6904   -2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6710    3.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9955    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
168027

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H28O9

>  <Molecular Weight (nearest integer)>
424

$$$$
638432
  CML DOM 09261310112D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.3212    6.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    5.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    5.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3048    6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2029    8.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    9.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662   10.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0681    8.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6782    7.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7966    6.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1048    7.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1048    5.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4039    7.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6783    5.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4039    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7029    5.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7029    7.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0020    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0020    3.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7029    2.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4039    3.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2147    3.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7475    3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2840    2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    1.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8131    2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3532    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559    0.6326    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
638432

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H22N2O2.ClH

>  <Molecular Weight (nearest integer)>
407

>  <dtpname:Chemical Name>
Benzo[g][2]benzopyrano[4,3-b]indol-5-one, 5,13-dihydro-13-[3-(dimethylamino)propyl]-, monohydrochloride

$$$$
